@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3468

@attribute molecule_id {CHEMBL100114,CHEMBL100405,CHEMBL100409,CHEMBL100559,CHEMBL100578,CHEMBL100588,CHEMBL100591,CHEMBL100643,CHEMBL100741,CHEMBL100769,CHEMBL100788,CHEMBL100801,CHEMBL100802,CHEMBL100927,CHEMBL100933,CHEMBL101108,CHEMBL101141,CHEMBL101145,CHEMBL101182,CHEMBL101220,CHEMBL101341,CHEMBL101442,CHEMBL101448,CHEMBL101545,CHEMBL101622,CHEMBL101644,CHEMBL101684,CHEMBL101714,CHEMBL101728,CHEMBL101835,CHEMBL102005,CHEMBL102046,CHEMBL102154,CHEMBL102901,CHEMBL103592,CHEMBL103820,CHEMBL1299990,CHEMBL1325067,CHEMBL1352007,CHEMBL1358403,CHEMBL1365411,CHEMBL1377382,CHEMBL1380933,CHEMBL1384520,CHEMBL1384784,CHEMBL1389713,CHEMBL1404887,CHEMBL1405031,CHEMBL1414155,CHEMBL1445625,CHEMBL146453,CHEMBL1468044,CHEMBL1468143,CHEMBL1470280,CHEMBL1470987,CHEMBL147642,CHEMBL147775,CHEMBL148162,CHEMBL1490564,CHEMBL1490809,CHEMBL149307,CHEMBL1493391,CHEMBL1494574,CHEMBL1504407,CHEMBL1509137,CHEMBL1517195,CHEMBL1517773,CHEMBL1523114,CHEMBL1525542,CHEMBL1534294,CHEMBL1575678,CHEMBL1584696,CHEMBL1585831,CHEMBL1588437,CHEMBL1596707,CHEMBL1601002,CHEMBL1603488,CHEMBL1608043,CHEMBL1608420,CHEMBL166472,CHEMBL166513,CHEMBL166754,CHEMBL166992,CHEMBL167071,CHEMBL167670,CHEMBL167882,CHEMBL168065,CHEMBL168816,CHEMBL168847,CHEMBL1715943,CHEMBL1762346,CHEMBL1762347,CHEMBL1762348,CHEMBL1762349,CHEMBL1762350,CHEMBL1762351,CHEMBL1762352,CHEMBL1762353,CHEMBL1762354,CHEMBL1762355,CHEMBL1762356,CHEMBL1762357,CHEMBL1762358,CHEMBL1762359,CHEMBL1762360,CHEMBL1762361,CHEMBL1762362,CHEMBL1762363,CHEMBL1762364,CHEMBL1762365,CHEMBL1762366,CHEMBL178116,CHEMBL178280,CHEMBL178339,CHEMBL178514,CHEMBL178674,CHEMBL178775,CHEMBL179066,CHEMBL179503,CHEMBL179551,CHEMBL180131,CHEMBL180263,CHEMBL180273,CHEMBL180623,CHEMBL180646,CHEMBL180669,CHEMBL180763,CHEMBL181027,CHEMBL181274,CHEMBL181295,CHEMBL181355,CHEMBL181396,CHEMBL181623,CHEMBL181763,CHEMBL181768,CHEMBL181775,CHEMBL181948,CHEMBL182078,CHEMBL182095,CHEMBL182096,CHEMBL182103,CHEMBL182295,CHEMBL182563,CHEMBL183109,CHEMBL183120,CHEMBL183379,CHEMBL183564,CHEMBL183619,CHEMBL183655,CHEMBL183760,CHEMBL185356,CHEMBL1907830,CHEMBL195150,CHEMBL195614,CHEMBL196855,CHEMBL197237,CHEMBL1974856,CHEMBL197535,CHEMBL197549,CHEMBL198682,CHEMBL198755,CHEMBL200220,CHEMBL200476,CHEMBL200493,CHEMBL2004978,CHEMBL200653,CHEMBL200677,CHEMBL200767,CHEMBL200785,CHEMBL200813,CHEMBL200886,CHEMBL200927,CHEMBL202971,CHEMBL203709,CHEMBL204245,CHEMBL206435,CHEMBL2096776,CHEMBL213759,CHEMBL215480,CHEMBL216071,CHEMBL216447,CHEMBL216819,CHEMBL217220,CHEMBL217457,CHEMBL217777,CHEMBL217821,CHEMBL220238,CHEMBL221870,CHEMBL226779,CHEMBL226828,CHEMBL226881,CHEMBL227035,CHEMBL227036,CHEMBL23226,CHEMBL2323966,CHEMBL2323967,CHEMBL2324339,CHEMBL2324340,CHEMBL2324341,CHEMBL2348691,CHEMBL2348692,CHEMBL2348693,CHEMBL2348694,CHEMBL2348695,CHEMBL2348696,CHEMBL2348697,CHEMBL2348698,CHEMBL2348699,CHEMBL2348700,CHEMBL2348701,CHEMBL2348702,CHEMBL2348859,CHEMBL2348860,CHEMBL2348861,CHEMBL237310,CHEMBL246887,CHEMBL248309,CHEMBL248310,CHEMBL248508,CHEMBL264344,CHEMBL293034,CHEMBL293622,CHEMBL305545,CHEMBL316465,CHEMBL317246,CHEMBL317530,CHEMBL317782,CHEMBL317796,CHEMBL318035,CHEMBL318295,CHEMBL318312,CHEMBL318386,CHEMBL318791,CHEMBL318887,CHEMBL319251,CHEMBL319554,CHEMBL321074,CHEMBL321546,CHEMBL322183,CHEMBL322631,CHEMBL323322,CHEMBL323570,CHEMBL327298,CHEMBL328155,CHEMBL328412,CHEMBL329940,CHEMBL352426,CHEMBL352554,CHEMBL353919,CHEMBL354345,CHEMBL354612,CHEMBL357191,CHEMBL358725,CHEMBL359479,CHEMBL359542,CHEMBL359598,CHEMBL359643,CHEMBL360020,CHEMBL360046,CHEMBL360292,CHEMBL360355,CHEMBL360690,CHEMBL360788,CHEMBL360880,CHEMBL360915,CHEMBL360956,CHEMBL361111,CHEMBL361397,CHEMBL361613,CHEMBL361825,CHEMBL361983,CHEMBL362074,CHEMBL362191,CHEMBL362213,CHEMBL362695,CHEMBL366927,CHEMBL367356,CHEMBL367365,CHEMBL369290,CHEMBL370012,CHEMBL371687,CHEMBL371709,CHEMBL371879,CHEMBL372322,CHEMBL372607,CHEMBL372994,CHEMBL373012,CHEMBL376112,CHEMBL376760,CHEMBL382084,CHEMBL382481,CHEMBL384023,CHEMBL385930,CHEMBL386510,CHEMBL387041,CHEMBL387556,CHEMBL390932,CHEMBL392245,CHEMBL396625,CHEMBL41286,CHEMBL417149,CHEMBL418983,CHEMBL420458,CHEMBL422849,CHEMBL424789,CHEMBL425699,CHEMBL427283,CHEMBL427284,CHEMBL430648,CHEMBL433416,CHEMBL433771,CHEMBL434147,CHEMBL435284,CHEMBL436989,CHEMBL438969,CHEMBL439753,CHEMBL439872,CHEMBL441118,CHEMBL447233,CHEMBL456592,CHEMBL456593,CHEMBL456798,CHEMBL456799,CHEMBL461248,CHEMBL461249,CHEMBL466007,CHEMBL466422,CHEMBL466423,CHEMBL467251,CHEMBL467252,CHEMBL468088,CHEMBL475020,CHEMBL475040,CHEMBL475858,CHEMBL475859,CHEMBL476022,CHEMBL476023,CHEMBL477047,CHEMBL477659,CHEMBL478694,CHEMBL479009,CHEMBL482634,CHEMBL482841,CHEMBL483408,CHEMBL484273,CHEMBL490850,CHEMBL490851,CHEMBL492059,CHEMBL492060,CHEMBL492061,CHEMBL492322,CHEMBL492385,CHEMBL492518,CHEMBL492718,CHEMBL492936,CHEMBL493123,CHEMBL493124,CHEMBL493127,CHEMBL493374,CHEMBL493375,CHEMBL493926,CHEMBL493927,CHEMBL494140,CHEMBL494141,CHEMBL494220,CHEMBL494539,CHEMBL494737,CHEMBL510809,CHEMBL511723,CHEMBL512101,CHEMBL513297,CHEMBL513513,CHEMBL513663,CHEMBL515299,CHEMBL515506,CHEMBL515661,CHEMBL516251,CHEMBL516490,CHEMBL516941,CHEMBL518382,CHEMBL519148,CHEMBL521801,CHEMBL521822,CHEMBL521839,CHEMBL521840,CHEMBL521972,CHEMBL521984,CHEMBL522148,CHEMBL522191,CHEMBL522324,CHEMBL523131,CHEMBL523666,CHEMBL523710,CHEMBL524017,CHEMBL524194,CHEMBL567893,CHEMBL591429,CHEMBL60190,CHEMBL60306,CHEMBL62187,CHEMBL62993,CHEMBL81038,CHEMBL82932,CHEMBL99680,CHEMBL99681,CHEMBL99999}
@attribute nRCONR2 numeric
@attribute nN.C.N. numeric
@attribute nRNHR numeric
@attribute C.018 numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_09_AN numeric
@attribute P_VSA_LogP_6 numeric
@attribute nCconj numeric
@attribute C.006 numeric
@attribute nSO2N numeric
@attribute N.067 numeric
@attribute N.068 numeric
@attribute Wap numeric
@attribute NddssS numeric
@attribute S.110 numeric
@attribute Rperim numeric
@attribute SpDiam_EA.bo. numeric
@attribute P_VSA_s_1 numeric
@attribute NdsN numeric
@attribute DLS_07 numeric
@attribute SM08_AEA.bo. numeric
@attribute SM03_EA.bo. numeric
@attribute NRS numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpMax_EA.bo. numeric
@attribute CATS2D_06_AA numeric
@attribute ATSC2s numeric
@attribute Xindex numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig09_EA.dm. numeric
@attribute Qindex numeric
@attribute GGI2 numeric
@attribute SdsCH numeric
@attribute MATS1i numeric
@attribute ATSC4s numeric
@attribute Vindex numeric
@attribute N.075 numeric
@attribute NaaN numeric
@attribute SM06_EA.bo. numeric
@attribute CATS2D_07_AA numeric
@attribute AAC numeric
@attribute IC0 numeric
@attribute SpMax2_Bh.s. numeric
@attribute GATS4p numeric
@attribute nCIC numeric
@attribute SM08_EA.ri. numeric
@attribute C.003 numeric
@attribute ATS1m numeric
@attribute nArCO numeric
@attribute CATS2D_09_DN numeric
@attribute nCt numeric
@attribute piID numeric
@attribute piPC02 numeric
@attribute SM02_EA.bo. numeric
@attribute CATS2D_01_AA numeric
@attribute SM07_AEA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute NdO numeric
@attribute GATS3s numeric
@attribute SM07_EA.ri. numeric
@attribute Eig02_AEA.dm. numeric
@attribute nR09 numeric
@attribute NaaO numeric
@attribute Eig01_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute ZM2Kup numeric
@attribute pXC50 numeric

@data
{7 11.771,9 1,13 15561,16 15,17 7.538,20 1,21 12.974,22 4.856,23 2,24 4.538,25 4.538,26 4.538,27 2,28 68.278,29 0.318,32 20,33 3.778,35 -0.094,36 129.222,37 0.199,40 9.603,42 1.569,43 1.569,44 7.43,45 0.948,46 3,47 9.847,48 1,49 3.723,52 1,53 9.645,54 4.297,55 4.984,57 11.572,58 2.848,59 3,60 1.009,61 8.641,62 3.738,65 10.849,66 10.849,67 10.849,68 477.489,69 5.389}
{0 CHEMBL100405,7 11.771,9 1,13 13056,16 15,17 7.336,20 1,21 12.813,22 4.745,23 2,24 4.336,25 4.336,26 4.336,27 2,28 61.879,29 0.311,32 19,33 3.111,35 -0.053,36 126.205,37 0.194,40 9.423,42 1.56,43 1.56,44 7.43,45 0.925,46 3,47 9.674,48 1,49 3.652,52 1,53 9.46,54 4.241,55 4.927,57 11.438,58 2.848,59 3,60 0.997,61 8.472,62 3.737,65 9.262,66 9.262,67 9.262,68 434.944,69 5.052}
{0 CHEMBL100409,7 11.771,9 1,13 15524,16 15,17 7.592,20 1,21 13.051,22 4.956,23 2,24 4.592,25 4.592,26 4.592,27 2,28 68.991,29 0.324,32 21,33 4,35 -0.05,36 150.376,37 0.204,40 9.682,42 1.742,43 1.742,44 7.43,45 0.773,46 3,47 9.812,48 1,49 3.791,52 1,53 9.691,54 4.324,55 5.011,57 11.64,58 2.848,59 3,60 0.981,61 8.609,62 3.738,65 11.135,66 11.135,67 11.135,68 491.669,69 5.442}
{0 CHEMBL100559,7 11.771,9 1,10 1,13 27561,14 1,15 1,16 15,17 7.716,18 5.807,20 0.5,21 13.641,22 5.414,23 2,24 4.716,25 4.716,26 4.716,27 2,28 257.708,29 0.311,32 26,33 6,35 -0.086,36 249.668,37 0.194,40 10.161,41 2,42 1.969,43 1.969,44 7.999,45 0.895,46 3,47 10.264,48 1,49 4.029,52 1,53 10.409,54 4.516,55 5.204,57 12.15,58 5.069,59 5,60 0.613,61 9.074,62 3.827,65 14.446,66 14.446,67 14.446,68 665.047,69 4.959}
{0 CHEMBL100578,7 16.586,9 1,13 13004,16 15,17 7.43,20 1,21 12.853,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 2,28 66.202,29 0.32,32 19,33 3.333,35 -0.12,36 133.738,37 0.201,38 1,39 1,40 9.476,42 1.625,43 1.625,44 7.43,45 0.884,46 3,47 9.705,48 1,49 3.659,52 1,53 9.493,54 4.241,55 4.927,57 11.464,58 2.848,59 3,60 0.994,61 8.507,62 3.738,65 10.196,66 10.196,67 10.196,68 452.408,69 4.46}
{0 CHEMBL100588,5 2,7 18.534,9 1,13 8598,16 11,17 6.448,21 12.69,22 4.649,23 2,24 3.448,25 3.448,26 3.448,27 2,28 114.414,29 0.4,30 0.033,31 0.201,32 17,33 3.556,35 -0.101,36 226.263,37 0.253,40 8.837,41 2,42 1.637,43 1.637,44 7.44,45 0.858,46 2,47 9.633,48 1,49 3.792,52 1,53 7.855,54 4.212,55 4.898,57 11.359,58 3.422,59 5,60 0.942,61 8.457,62 3.781,65 9.324,66 9.324,67 9.324,68 509.219,69 8}
{0 CHEMBL100591,7 11.771,9 1,10 1,13 24051,14 1,15 1,16 15,17 7.704,18 5.807,20 0.5,21 13.621,22 5.414,23 2,24 4.704,25 4.704,26 4.704,27 2,28 258.375,29 0.322,32 26,33 5.778,35 -0.086,36 252.455,37 0.203,40 10.124,42 1.969,43 1.969,44 7.999,45 0.928,46 3,47 10.213,48 1,49 4.029,52 1,53 10.304,54 4.516,55 5.204,57 12.135,58 5.069,59 5,60 0.614,61 9.03,62 3.827,65 14.445,66 14.445,67 14.445,68 664.047,69 4.36}
{0 CHEMBL100643,7 11.771,13 15719,16 15,17 7.431,21 12.985,22 4.89,23 2,24 4.431,25 4.431,26 4.431,27 3,28 95.45,29 0.338,32 21,33 4,35 -0.027,36 181.505,37 0.217,40 9.541,42 1.572,43 1.572,44 7.436,45 0.874,46 3,47 9.88,48 1,49 3.798,52 1,53 9.661,54 4.363,55 5.05,57 11.601,58 3.246,59 4,60 0.954,61 8.678,62 3.78,65 10.268,66 10.268,67 10.268,68 515.519,69 6.231}
{0 CHEMBL100741,7 11.771,9 1,13 4715,16 11,17 6.448,20 1,21 12.385,22 4.311,23 2,24 3.448,25 3.448,26 3.448,27 2,28 62.749,29 0.406,32 14,33 2.444,35 -0.113,36 129.91,37 0.257,40 8.601,42 1.592,43 1.592,44 7.43,45 0.86,46 2,47 9.316,48 1,49 3.508,52 1,53 7.463,54 3.942,55 4.625,57 11.054,58 2.848,59 3,60 1.015,61 8.135,62 3.737,65 9.262,66 9.262,67 9.262,68 370.944,69 5}
{0 CHEMBL100769,7 11.771,13 14285,16 15,17 7.336,20 1,21 12.816,22 4.745,23 2,24 4.336,25 4.336,26 4.336,27 1,28 56.418,29 0.299,32 19,33 3.111,35 -0.009,36 123.932,37 0.185,40 9.424,42 1.49,43 1.49,44 7.429,45 0.904,46 3,47 9.731,48 1,49 3.67,52 1,53 9.49,54 4.256,55 4.942,57 11.442,58 2.848,59 3,60 0.968,61 8.516,62 3.733,65 9.262,66 9.262,67 9.262,68 409.489,69 4.74}
{0 CHEMBL100788,7 11.771,9 2,13 16831,16 17,17 6.642,20 0.5,21 12.717,22 4.62,23 3,24 3.642,25 3.642,26 3.642,27 2,28 65.759,29 0.28,32 19,33 3.111,35 -0.085,36 133.928,37 0.17,40 9.117,42 1.548,43 1.548,44 7.43,45 0.897,46 3,47 9.531,48 1,49 3.774,52 1,53 9.417,54 4.29,55 4.977,57 11.381,58 2.848,59 3,60 1.028,61 8.332,62 3.737,65 9.262,66 9.262,67 9.262,68 486.398,69 5.14}
{0 CHEMBL100801,7 11.771,8 1,13 10723,16 15,17 7.468,20 1,21 12.887,22 4.745,23 2,24 4.468,25 4.468,26 4.468,27 1,28 56.614,29 0.352,32 19,33 3.333,35 -0.008,36 126.009,37 0.227,40 9.515,42 1.549,43 1.549,44 7.43,45 0.878,46 3,47 9.883,48 1,49 3.576,52 1,53 9.431,54 4.212,55 4.898,57 11.484,58 2.591,59 3,60 0.919,61 8.663,62 3.733,65 10.712,66 10.712,67 10.712,68 402.489,69 5}
{0 CHEMBL100802,7 11.771,9 1,13 14285,16 15,17 7.336,20 1,21 12.816,22 4.745,23 2,24 4.336,25 4.336,26 4.336,27 1,28 62.057,29 0.299,32 19,33 3.111,35 -0.052,36 138.214,37 0.185,40 9.424,41 1,42 1.541,43 1.541,44 7.429,45 0.903,46 3,47 9.684,48 1,49 3.682,52 1,53 9.49,54 4.256,55 4.942,57 11.442,58 2.848,59 3,60 1.03,61 8.478,62 3.733,65 9.262,66 9.262,67 9.262,68 438.944,69 5.015}
{0 CHEMBL100927,7 11.771,9 1,13 13004,16 15,17 7.43,20 1,21 12.853,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 2,28 64.702,29 0.32,32 19,33 3.333,35 -0.12,36 133.617,37 0.201,38 1,39 1,40 9.476,41 1,42 1.625,43 1.625,44 7.43,45 0.88,46 3,47 9.695,48 1,49 3.659,52 1,53 9.493,54 4.241,55 4.927,57 11.464,58 2.848,59 3,60 1.006,61 8.498,62 3.738,65 10.196,66 10.196,67 10.196,68 452.408,69 5.34}
{0 CHEMBL100933,7 18.534,9 1,13 4402,16 11,17 6.448,20 1,21 12.412,22 4.311,23 2,24 3.448,25 3.448,26 3.448,27 1,28 66.95,29 0.407,32 14,33 2.667,35 -0.074,36 137.197,37 0.257,40 8.614,42 1.531,43 1.531,44 7.431,45 0.849,46 2,47 9.5,48 2,49 3.465,52 2,53 7.421,54 3.922,55 4.605,57 11.071,58 3.046,59 3,60 0.979,61 8.304,62 3.757,65 9.645,66 9.645,67 9.645,68 351.972,69 5.167}
{0 CHEMBL101108,7 11.771,13 11885,16 15,17 7.337,20 1,21 12.812,22 4.745,23 2,24 4.337,25 4.337,26 4.337,27 1,28 57.009,29 0.325,32 19,33 2.889,35 -0.008,36 121.62,37 0.205,40 9.423,42 1.528,43 1.528,44 7.429,45 0.902,46 3,47 9.732,48 1,49 3.608,52 1,53 9.43,54 4.227,55 4.913,57 11.434,58 2.848,59 3,60 0.996,61 8.523,62 3.739,65 9.274,66 9.274,67 9.274,68 401.489,69 5}
{0 CHEMBL101141,7 11.771,9 2,13 16831,16 17,17 6.806,20 0.5,21 12.755,22 4.62,23 3,24 3.806,25 3.806,26 3.806,27 3,28 65.676,29 0.3,32 19,33 3.333,35 -0.085,36 134.391,37 0.187,40 9.161,42 1.548,43 1.548,44 7.43,45 0.891,46 3,47 9.579,48 1,49 3.774,52 1,53 9.635,54 4.29,55 4.977,57 11.406,58 2.848,59 3,60 1.008,61 8.379,62 3.738,65 9.262,66 9.262,67 9.262,68 487.398,69 5.658}
{0 CHEMBL101145,5 1,6 1,7 11.771,8 1,9 1,13 16289,16 15,17 7.519,20 0.5,21 13.069,22 4.945,23 2,24 4.519,25 4.519,26 4.519,27 2,28 93.899,29 0.327,32 21,33 4.222,35 -0.027,36 167.863,37 0.207,40 9.654,41 1,42 1.626,43 1.626,44 7.436,45 0.931,46 3,47 10.009,48 1,49 3.716,51 1,52 1,53 9.894,54 4.337,55 5.024,57 11.66,58 2.848,59 4,60 0.904,61 8.807,62 3.748,65 11.098,66 11.098,67 11.098,68 506.61,69 5.783}
{0 CHEMBL101182,7 11.771,9 1,13 15361,16 17,17 6.708,20 1,21 12.718,22 4.62,23 3,24 3.708,25 3.708,26 3.708,27 1,28 60.698,29 0.297,32 19,33 2.667,35 -0.073,36 132.7,37 0.184,40 9.121,41 1,42 1.58,43 1.58,44 7.43,45 0.84,46 3,47 9.532,48 1,49 3.742,52 1,53 9.45,54 4.277,55 4.963,57 11.379,58 2.848,59 3,60 1.045,61 8.327,62 3.735,65 9.262,66 9.262,67 9.262,68 476.452,69 5.573}
{0 CHEMBL101220,7 11.771,8 1,13 10771,16 15,17 7.352,20 1,21 12.845,22 4.745,23 2,24 4.352,25 4.352,26 4.352,27 1,28 56.64,29 0.34,32 19,33 3.333,35 -0.008,36 130.595,37 0.217,40 9.461,42 1.549,43 1.549,44 7.43,45 0.863,46 3,47 9.794,48 1,49 3.576,52 1,53 9.398,54 4.212,55 4.898,57 11.456,58 2.591,59 3,60 0.915,61 8.587,62 3.73,65 9.494,66 9.494,67 9.494,68 401.489,69 5}
{0 CHEMBL101341,7 11.771,9 1,13 13004,16 15,17 7.43,20 1,21 12.853,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 3,28 64.775,29 0.32,32 19,33 3.333,35 -0.12,36 132.628,37 0.201,38 1,39 1,40 9.476,42 1.625,43 1.625,44 7.43,45 0.884,46 3,47 9.688,48 1,49 3.659,52 1,53 9.493,54 4.241,55 4.927,57 11.464,58 2.848,59 3,60 0.998,61 8.492,62 3.738,65 10.196,66 10.196,67 10.196,68 452.408,69 5.821}
{0 CHEMBL101442,7 11.771,9 1,13 13966,16 17,17 6.889,20 1,21 12.755,22 4.62,23 3,24 3.889,25 3.889,26 3.889,27 2,28 61.388,29 0.295,32 19,33 3.333,35 -0.046,36 125.072,37 0.182,40 9.178,42 1.538,43 1.538,44 7.43,45 0.901,46 3,47 9.669,48 1,49 3.707,52 1,53 9.37,54 4.263,55 4.949,57 11.402,58 2.848,59 3,60 1.002,61 8.462,62 3.737,65 9.262,66 9.262,67 9.262,68 452.944,69 4.921}
{0 CHEMBL101448,7 11.771,13 13004,16 15,17 7.43,20 1,21 12.853,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 1,28 56.9,29 0.32,32 19,33 3.333,35 -0.009,36 123.423,37 0.201,40 9.476,42 1.509,43 1.509,44 7.429,45 0.914,46 3,47 9.809,48 1,49 3.639,52 1,53 9.493,54 4.241,55 4.927,57 11.464,58 2.848,59 3,60 0.98,61 8.589,62 3.734,65 10.196,66 10.196,67 10.196,68 406.489,69 5.057}
{0 CHEMBL101545,7 11.771,13 15719,16 15,17 7.431,21 12.985,22 4.89,23 2,24 4.431,25 4.431,26 4.431,27 3,28 95.45,29 0.338,32 21,33 4,35 -0.027,36 181.505,37 0.217,40 9.541,42 1.572,43 1.572,44 7.436,45 0.874,46 3,47 9.88,48 1,49 3.798,52 1,53 9.661,54 4.363,55 5.05,57 11.601,58 3.246,59 4,60 0.954,61 8.678,62 3.78,65 10.268,66 10.268,67 10.268,68 515.519,69 6.886}
{0 CHEMBL101622,3 1,7 11.771,9 2,11 1,13 11305,16 17,17 6.581,20 0.5,21 12.707,22 4.543,23 3,24 3.581,25 3.581,26 3.581,27 1,28 59.4,29 0.302,32 19,33 3.111,35 -0.031,36 123.984,37 0.188,40 9.052,42 1.497,43 1.497,44 7.429,45 0.922,46 3,47 9.723,48 2,49 3.784,52 2,53 8.531,54 4.29,55 4.977,57 11.37,58 2.848,59 3,60 0.954,61 8.501,62 3.734,65 9.262,66 9.262,67 9.262,68 438.616,69 5.535}
{0 CHEMBL101644,7 11.771,8 3,13 4715,16 11,17 6.528,20 1,21 12.433,22 4.311,23 2,24 3.528,25 3.528,26 3.528,27 1,28 56.563,29 0.406,32 14,33 2.444,34 3.028,35 -0.049,36 126.496,37 0.257,40 8.699,42 1.557,43 1.557,44 7.43,45 0.835,46 2,47 9.388,48 1,49 3.488,52 1,53 7.989,54 3.98,55 4.663,57 11.099,58 2.591,59 3,60 0.966,61 8.195,62 3.722,65 9.262,66 9.262,67 9.262,68 354.489,69 5.012}
{0 CHEMBL101684,7 11.771,9 1,13 13004,16 15,17 7.43,20 1,21 12.853,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 2,28 65.505,29 0.32,32 19,33 3.333,35 -0.12,36 132.189,37 0.201,38 1,39 1,40 9.476,42 1.625,43 1.625,44 7.43,45 0.914,46 3,47 9.723,48 1,49 3.659,52 1,53 9.493,54 4.241,55 4.927,57 11.464,58 2.848,59 3,60 1.001,61 8.525,62 3.738,65 10.196,66 10.196,67 10.196,68 450.056,69 5.458}
{0 CHEMBL101714,7 11.771,9 1,13 5248,16 11,17 6.445,20 1,21 12.39,22 4.311,23 2,24 3.445,25 3.445,26 3.445,27 1,28 62.911,29 0.392,32 14,33 2.444,35 -0.107,36 140.776,37 0.245,40 8.605,41 1,42 1.569,43 1.569,44 7.429,45 0.838,46 2,47 9.33,48 1,49 3.543,52 1,53 7.503,54 3.961,55 4.644,57 11.06,58 2.848,59 3,60 1.047,61 8.144,62 3.733,65 9.262,66 9.262,67 9.262,68 374.944,69 5.219}
{0 CHEMBL101728,7 11.771,9 1,13 14285,16 15,17 7.336,20 1,21 12.816,22 4.745,23 2,24 4.336,25 4.336,26 4.336,27 1,28 56.677,29 0.299,32 19,33 3.111,35 0.011,36 122.322,37 0.185,40 9.424,42 1.607,43 1.607,44 7.429,45 0.896,46 3,47 9.667,48 1,49 3.747,52 1,53 9.49,54 4.256,55 4.942,57 11.442,58 2.848,59 3,60 1.005,61 8.463,62 3.816,65 9.262,66 9.262,67 9.262,68 423.546,69 5.23}
{0 CHEMBL101835,7 18.534,9 1,13 12081,16 17,17 6.475,21 12.792,22 4.663,23 3,24 3.475,25 3.475,26 3.475,27 1,28 80.089,29 0.321,31 0.033,32 20,33 3.333,35 -0.066,36 171.489,37 0.204,40 9.109,42 1.569,43 1.569,44 7.432,45 0.877,46 3,47 9.723,48 1,49 3.847,52 1,53 8.597,54 4.357,55 5.043,57 11.457,58 3.1,59 4,60 0.942,61 8.517,62 3.782,65 9.343,66 9.343,67 9.343,68 514.552,69 6.167}
{0 CHEMBL102005,7 11.771,9 1,13 15361,16 17,17 6.832,20 1,21 12.754,22 4.62,23 3,24 3.832,25 3.832,26 3.832,27 2,28 61.009,29 0.308,32 19,33 3.111,35 -0.045,36 127.357,37 0.192,40 9.162,42 1.52,43 1.52,44 7.43,45 0.872,46 3,47 9.658,48 1,49 3.735,52 1,53 9.611,54 4.277,55 4.963,57 11.403,58 2.848,59 3,60 0.995,61 8.448,62 3.738,65 9.263,66 9.263,67 9.263,68 453.944,69 5.474}
{0 CHEMBL102046,7 11.771,13 13439,16 15,17 7.431,20 1,21 12.912,22 4.796,23 2,24 4.431,25 4.431,26 4.431,27 1,28 60.245,29 0.328,32 20,33 3.778,35 -0.038,36 135.592,37 0.208,40 9.502,42 1.552,43 1.552,44 7.429,45 0.862,46 3,47 9.866,48 1,49 3.676,52 1,53 9.523,54 4.27,55 4.956,57 11.521,58 2.848,59 3,60 0.955,61 8.664,62 3.763,65 10.247,66 10.247,67 10.247,68 431.461,69 5.14}
{0 CHEMBL102154,7 11.771,9 1,13 15361,16 17,17 6.677,20 1,21 12.716,22 4.62,23 3,24 3.677,25 3.677,26 3.677,27 2,28 63.708,29 0.287,32 19,33 2.889,35 -0.087,36 134.379,37 0.176,40 9.117,42 1.565,43 1.565,44 7.43,45 0.84,46 3,47 9.498,48 1,49 3.747,52 1,53 9.394,54 4.277,55 4.963,57 11.378,58 2.848,59 3,60 1.049,61 8.298,62 3.737,65 9.262,66 9.262,67 9.262,68 492.216,69 5.166}
{0 CHEMBL102901,7 11.771,9 1,13 14231,16 15,17 7.43,20 1,21 12.856,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 1,28 62.039,29 0.306,32 19,33 3.333,35 -0.052,36 138.776,37 0.191,40 9.477,41 1,42 1.541,43 1.541,44 7.429,45 0.886,46 3,47 9.746,48 1,49 3.682,52 1,53 9.523,54 4.256,55 4.942,57 11.469,58 2.848,59 3,60 1.021,61 8.535,62 3.733,65 10.194,66 10.194,67 10.194,68 439.944,69 5.863}
{0 CHEMBL103592,7 11.771,13 13439,16 15,17 7.431,20 1,21 12.912,22 4.796,23 2,24 4.431,25 4.431,26 4.431,27 2,28 62.88,29 0.328,32 20,33 3.778,35 -0.052,36 136.492,37 0.208,40 9.502,42 1.541,43 1.541,44 7.429,45 0.875,46 3,47 9.818,48 1,49 3.682,52 1,53 9.523,54 4.27,55 4.956,57 11.521,58 2.848,59 3,60 0.977,61 8.621,62 3.775,65 10.247,66 10.247,67 10.247,68 449.853,69 5.879}
{0 CHEMBL103820,7 11.771,9 1,13 14281,16 15,17 7.495,20 1,21 12.954,22 4.856,23 2,24 4.495,25 4.495,26 4.495,27 2,28 62.163,29 0.323,32 20,33 3.778,35 -0.052,36 127.816,37 0.204,40 9.574,42 1.541,43 1.541,44 7.43,45 0.893,46 3,47 9.851,48 1,49 3.682,52 1,53 9.62,54 4.284,55 4.97,57 11.555,58 2.848,59 3,60 0.986,61 8.648,62 3.738,65 10.717,66 10.717,67 10.717,68 446.944,69 5.381}
{0 CHEMBL1299990,8 4,9 1,13 12247,16 16,17 7.163,20 1,21 12.947,22 4.771,23 2,24 4.163,25 4.163,26 4.163,28 40.799,29 0.365,32 18,33 3.333,34 1.284,35 0.019,36 84.341,37 0.237,40 9.539,42 1.593,43 1.593,44 7.431,45 1.117,46 3,47 9.689,49 3.476,53 9.976,54 4.205,55 4.89,57 11.529,59 2,60 0.774,61 8.462,62 3.658,65 10.497,66 10.497,67 10.497,68 427.842,69 4.069}
{0 CHEMBL1325067,8 2,9 1,13 31484,16 22,17 7.466,19 1,20 1,21 13.007,22 4.796,23 3,24 4.466,25 4.466,26 4.466,27 3,28 23.115,29 0.251,32 20,33 3.111,34 1.509,35 0.007,36 43.857,37 0.155,38 1,39 1,40 9.854,41 1,42 1.511,43 1.511,44 5.046,45 1.101,46 4,47 9.587,49 3.675,53 12.577,54 4.472,55 5.159,57 11.609,59 1,60 0.88,61 8.317,62 3.205,65 10.298,66 10.298,67 10.298,68 471.552,69 4.069}
{0 CHEMBL1352007,7 21.487,13 14167,16 18,17 7.52,20 1,21 13.17,22 4.832,23 2,24 4.52,25 4.52,26 4.52,27 1,28 16.266,29 0.384,32 21,33 2.889,35 0.177,36 49.296,37 0.264,38 1,39 1,40 9.866,42 1.595,43 1.595,44 5.183,45 1.006,46 4,47 10.036,48 1,49 3.373,52 1,53 10.836,54 4.256,55 4.942,57 11.709,58 1.06,60 0.686,61 8.779,62 3.654,63 2,65 12.523,66 12.523,67 12.523,68 379.949,69 4.556}
{0 CHEMBL1358403,7 36.165,13 19063,16 21,17 7.655,20 1,21 13.144,22 4.808,23 3,24 4.655,25 4.655,26 4.655,28 18.974,29 0.312,32 20,33 2.667,35 -0.059,36 17.42,37 0.204,38 1,39 1,40 9.971,42 1.47,43 1.47,44 4.898,45 1.218,46 4,47 9.6,49 3.623,53 12.535,54 4.422,55 5.109,57 11.71,60 0.951,61 8.324,62 2.907,63 1,65 11.484,66 11.484,67 11.484,68 415.299,69 4.069}
{0 CHEMBL1365411,8 1,9 1,13 11548,16 16,17 7.598,20 1,21 13.049,22 4.902,23 2,24 4.598,25 4.598,26 4.598,28 18.743,29 0.37,32 18,33 3.556,35 0.04,36 63.86,37 0.24,38 1,39 1,40 9.862,42 1.5,43 1.5,44 6.529,45 0.947,46 3,47 9.795,49 3.447,53 10.584,54 4.277,55 4.963,57 11.61,59 1,60 0.726,61 8.56,62 3.34,65 11.13,66 11.13,67 11.13,68 371.204,69 4.069}
{0 CHEMBL1377382,7 12.02,9 1,13 4224,16 11,17 7.284,20 1,21 13.022,22 4.663,23 2,24 4.284,25 4.284,26 4.284,27 1,28 151.51,29 0.49,32 15,33 2.889,35 -0.04,36 110.443,37 0.327,38 1,39 1,40 9.462,41 1,42 1.974,43 1.974,44 7.999,45 1.023,46 2,47 9.59,49 3.474,53 8.709,54 4.073,55 4.758,57 11.585,58 3.903,60 0.678,61 8.388,62 4.407,64 1,65 12.478,66 12.478,67 12.478,68 431.964,69 4.069}
{0 CHEMBL1380933,7 17.504,8 1,9 3,13 4447,16 11,17 6.717,19 1,20 1,21 12.318,22 4.086,23 2,24 3.717,25 3.717,26 3.717,27 2,28 20.867,29 0.36,32 11,33 2.222,34 1.743,35 -0.12,36 25.202,37 0.218,40 8.916,42 1.59,43 1.59,44 4.947,45 1.176,46 2,47 8.813,49 3.426,53 8.624,54 3.946,55 4.63,57 10.972,58 1.404,60 0.96,61 7.575,62 3.083,64 1,65 8.95,66 8.95,67 8.95,68 310.341,69 4.069}
{0 CHEMBL1384520,3 1,8 4,9 1,11 1,13 3288,16 11,17 7.156,20 1,21 12.857,22 4.559,23 2,24 4.156,25 4.156,26 4.156,28 26.876,29 0.517,32 14,33 3.111,34 1.546,35 -0.174,36 85.718,37 0.349,40 9.278,42 1.914,43 1.914,44 7.408,45 0.921,46 2,47 9.488,49 3.405,53 7.989,54 3.922,55 4.605,57 11.402,58 0.325,59 2,60 0.846,61 8.254,62 3.386,65 12.162,66 12.162,67 12.162,68 341.776,69 4.069}
{0 CHEMBL1384784,7 2.717,8 1,9 2,13 60454,16 23,17 7.266,20 1,21 13.243,22 4.987,23 2,24 4.266,25 4.266,26 4.266,27 3,28 23.188,29 0.268,32 27,33 4.222,35 -0.114,36 39.593,37 0.172,40 9.83,41 1,42 1.538,43 1.538,44 4.935,45 1.247,46 5,47 10.044,49 3.764,53 11.795,54 4.422,55 5.109,57 11.805,58 0.325,59 1,60 0.796,61 8.814,62 3.372,63 1,65 11.219,66 11.219,67 11.219,68 475.094,69 4.069}
{0 CHEMBL1389713,7 0.746,10 1,13 21070,14 1,15 1,16 21,17 7.707,18 5.807,20 1,21 13.437,22 5.27,23 3,24 4.707,25 4.707,26 4.707,28 45.933,29 0.277,32 23,33 3.778,35 -0.035,36 53.022,37 0.173,38 1,39 1,40 10.247,42 1.641,43 1.641,44 6.999,45 1.129,46 4,47 9.799,49 3.813,53 11.661,54 4.491,55 5.179,57 11.959,59 2,60 0.922,61 8.588,62 3.087,63 1,65 12.507,66 12.507,67 12.507,68 419.663,69 4.069}
{0 CHEMBL1404887,7 0.746,9 1,10 1,13 31437,14 1,15 1,16 21,17 7.551,18 5.807,20 1,21 13.537,22 5.421,23 3,24 4.551,25 4.551,26 4.551,28 53.368,29 0.263,32 26,33 4.222,35 -0.11,36 58.714,37 0.163,38 1,39 1,40 10.276,42 1.656,43 1.656,44 7.428,45 1.068,46 4,47 10.08,49 3.964,53 11.896,54 4.618,55 5.306,57 12.076,58 1.593,59 3,60 1.249,61 8.875,62 3.605,63 1,65 12.432,66 12.432,67 12.432,68 507.159,69 4.069}
{0 CHEMBL1405031,7 13.823,8 2,9 1,10 1,13 54955,14 1,15 1,16 24,17 7.674,18 5.807,19 1,20 1,21 13.647,22 5.414,23 3,24 4.674,25 4.674,26 4.674,27 2,28 68.922,29 0.264,32 29,33 4.444,34 1.694,35 -0.04,36 58.681,37 0.17,38 1,39 1,40 10.375,41 3,42 1.804,43 1.804,44 7.431,45 0.927,46 5,47 10.141,49 4.054,53 13.249,54 4.675,55 5.364,57 12.171,58 2.048,59 3,60 0.863,61 8.928,62 4.634,63 1,65 11.749,66 11.749,67 11.749,68 577.262,69 5.501}
{0 CHEMBL1414155,8 2,13 12562,16 15,17 7.284,20 1,21 12.996,22 4.771,23 2,24 4.284,25 4.284,26 4.284,27 2,28 35.491,29 0.356,32 19,33 3.778,35 -0.217,36 67.071,37 0.228,40 9.535,41 1,42 1.506,43 1.506,44 7.426,45 1.221,46 3,47 9.92,49 3.524,50 1,53 9.522,54 4.19,55 4.875,57 11.565,58 0.325,59 2,60 0.965,61 8.69,62 3.6,63 1,65 11.89,66 11.89,67 11.89,68 409.84,69 4.069}
{0 CHEMBL1445625,8 2,13 28202,16 26,17 7.004,19 1,20 1,21 13.182,22 4.732,23 4,24 4.004,25 4.004,26 4.004,27 1,28 17.6,29 0.3,32 26,33 3.111,35 -0.04,36 91.5,37 0.2,40 9.58,42 1.533,43 1.533,44 7.426,45 0.903,46 5,47 10.338,48 1,49 3.658,50 1,52 1,53 10.477,54 4.437,55 5.124,56 1,57 11.754,58 2.221,59 3,60 0.978,61 9.052,62 3.663,65 13.134,66 13.134,67 13.134,68 491.653,69 4.069}
{0 CHEMBL146453,7 2.717,8 2,9 3,10 1,11 1,13 27629,14 1,15 1,16 17,17 7.709,18 5.807,21 13.552,22 5.4,23 3,24 4.709,25 4.709,26 4.709,27 3,28 136.326,29 0.285,32 24,33 5.778,35 0.077,36 264.303,37 0.175,40 10.157,42 1.923,43 1.923,44 7.478,45 0.987,46 3,47 10.055,49 4.181,51 1,53 10.512,54 4.637,55 5.325,57 12.097,58 2.778,59 6,60 0.991,61 8.872,62 4.348,65 12.443,66 12.443,67 12.443,68 642.125,69 6.886}
{0 CHEMBL1468044,8 2,13 23154,16 20,17 7.023,19 1,20 1,21 13.182,22 4.844,23 3,24 4.023,25 4.023,26 4.023,27 3,28 41.777,29 0.346,32 24,33 3.778,35 -0.168,36 106.389,37 0.232,40 9.528,41 1,42 1.785,43 1.785,44 7.431,45 0.965,46 4,47 10.243,48 1,49 3.688,52 1,53 10.176,54 4.331,55 5.017,56 1,57 11.747,58 2.221,59 3,60 0.998,61 8.979,62 3.718,65 13.16,66 13.16,67 13.16,68 518.606,69 4.069}
{0 CHEMBL1468143,8 1,9 1,13 18355,16 21,17 7.526,20 1,21 13.026,22 4.832,23 3,24 4.526,25 4.526,26 4.526,27 1,28 43.023,29 0.314,32 21,33 3.333,35 -0.122,36 56.378,37 0.204,38 1,39 1,40 9.783,42 1.52,43 1.52,44 7.427,45 0.977,46 4,47 9.772,49 3.567,53 10.967,54 4.331,55 5.017,57 11.605,58 2.243,59 2,60 0.834,61 8.534,62 3.637,65 10.901,66 10.901,67 10.901,68 449.453,69 4.069}
{0 CHEMBL1470280,8 1,13 25070,16 26,17 6.999,19 1,20 1,21 13.095,22 4.62,23 4,24 3.999,25 3.999,26 3.999,28 15.68,29 0.308,32 25,33 2.667,35 -0.042,36 75.717,37 0.207,40 9.509,42 1.486,43 1.486,44 7.408,45 0.899,46 5,47 10.225,48 1,49 3.596,52 1,53 10.433,54 4.376,55 5.063,56 1,57 11.669,58 2.221,59 2,60 1.063,61 8.929,62 3.442,65 13.126,66 13.126,67 13.126,68 448.016,69 4.069}
{0 CHEMBL1470987,7 0.285,8 1,13 6788,16 12,17 7.086,19 1,20 1,21 12.605,22 4.443,23 2,24 4.086,25 4.086,26 4.086,28 15.799,29 0.327,32 17,33 2.444,34 6.111,35 0.17,36 43.554,37 0.203,40 9.053,42 1.859,43 1.859,44 4.951,45 0.627,46 3,47 9.35,48 2,49 3.705,52 2,53 8.61,54 3.961,55 4.644,57 11.22,58 1.305,60 0.725,61 8.106,62 3.316,65 9.608,66 9.608,67 9.608,68 313.939,69 4.069}
{0 CHEMBL147642,7 2.717,8 2,9 1,10 1,11 1,13 9606,14 1,15 1,16 11,17 7.709,18 5.807,20 0.5,21 13.355,22 5.207,23 2,24 4.709,25 4.709,26 4.709,27 3,28 143.014,29 0.389,32 18,33 4.222,34 0.303,35 0.05,36 270.27,37 0.242,40 9.962,42 1.915,43 1.915,44 7.478,45 0.913,46 2,47 9.829,49 3.882,51 1,53 9.174,54 4.353,55 5.04,57 11.885,58 2.243,59 6,60 0.946,61 8.655,62 3.652,65 12.443,66 12.443,67 12.443,68 510.982,69 6.921}
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{0 CHEMBL1601002,8 1,9 1,13 22325,16 21,17 7.527,20 1,21 13.124,22 4.934,23 3,24 4.527,25 4.527,26 4.527,27 1,28 49.767,29 0.312,32 22,33 3.778,35 -0.157,36 58.551,37 0.203,38 1,39 1,40 9.864,42 1.536,43 1.536,44 7.427,45 1.034,46 4,47 9.86,49 3.644,53 11.177,54 4.382,55 5.069,57 11.697,58 2.243,59 2,60 0.836,61 8.631,62 3.637,65 10.906,66 10.906,67 10.906,68 490.999,69 4.069}
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{0 CHEMBL178116,1 1,4 1,5 1,7 11.771,8 5,9 2,13 16851,16 12,17 6.672,21 13.029,22 4.902,23 2,24 3.672,25 3.672,26 3.672,27 3,28 112.119,29 0.392,30 0.313,31 0.401,32 19,33 4.444,34 3.906,35 -0.076,36 210.155,37 0.246,40 9.211,41 1,42 1.739,43 1.739,44 7.472,45 1.008,46 2,47 9.932,49 3.982,51 1,53 9.026,54 4.437,55 5.124,57 11.669,58 3.601,59 7,60 1.099,61 8.75,62 3.894,65 10.847,66 10.847,67 10.847,68 602.605,69 11}
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{0 CHEMBL180263,5 1,7 21.723,9 1,13 2934,16 6,17 6.48,20 1,21 12.439,22 4.388,23 1,24 3.48,25 3.48,26 3.48,27 2,28 99.37,29 0.588,32 11,33 2.667,35 -0.094,36 156.542,37 0.376,40 8.663,41 1,42 1.741,43 1.741,44 7.475,45 0.901,46 1,47 9.301,48 1,49 3.478,52 1,53 7.238,54 3.942,55 4.625,57 11.099,58 3.217,59 4,60 0.885,61 8.135,62 3.776,65 9.619,66 9.619,67 9.619,68 385.831,69 7.959}
{0 CHEMBL180273,1 1,2 1,3 1,4 2,5 1,6 1,7 24.901,8 4,9 3,11 1,13 16083,16 17,17 6.659,19 1,21 12.911,22 4.663,23 3,24 3.659,25 3.659,26 3.659,27 4,28 61.686,29 0.309,30 0.07,31 0.296,32 19,33 3.778,34 2.81,35 -0.123,36 116.397,37 0.194,38 1,39 1,40 9.254,41 3,42 1.793,43 1.793,44 7.434,45 0.967,46 3,47 9.679,49 3.942,51 1,53 9.428,54 4.379,55 5.066,57 11.546,58 3.015,59 4,60 1.05,61 8.486,62 3.899,65 10.833,66 10.833,67 10.833,68 527.108,69 9.31}
{0 CHEMBL180623,1 1,2 1,3 1,4 1,5 1,6 1,7 11.771,8 4,9 1,11 1,13 22127,16 17,17 6.874,19 1,21 13.293,22 5.047,23 3,24 3.874,25 3.874,26 3.874,27 7,28 71.029,29 0.323,31 0.218,32 24,33 5.333,34 1.54,35 -0.102,36 148.269,37 0.205,38 2,39 2,40 9.564,41 5,42 1.603,43 1.603,44 7.434,45 0.921,46 3,47 10.396,49 3.948,51 1,53 9.697,54 4.519,55 5.207,56 2,57 11.888,58 3.015,59 4,60 0.973,61 9.189,62 3.804,64 1,65 11.835,66 11.835,67 11.835,68 616.349,69 9.854}
{0 CHEMBL180646,1 1,2 1,3 2,4 1,5 1,6 1,7 35.313,8 4,9 3,11 2,12 1,13 18314,16 11,17 6.53,19 1,21 13.045,22 4.868,23 2,24 3.826,25 3.826,26 3.826,27 7,28 70.696,29 0.392,30 0.268,31 0.359,32 19,33 5.111,34 1.529,35 -0.265,36 133.766,37 0.245,38 2,39 2,40 9.285,41 5,42 1.594,43 1.594,44 7.434,45 0.932,46 2,47 9.919,48 1,49 3.977,51 1,52 1,53 9.004,54 4.385,55 5.072,56 2,57 11.663,58 3.033,59 4,60 0.928,61 8.743,62 3.8,64 1,65 10.961,66 10.961,67 10.961,68 592.236,69 10.187}
{0 CHEMBL180669,1 1,2 1,3 2,4 1,5 1,6 1,7 35.313,8 4,9 3,11 2,12 1,13 18011,16 11,17 6.579,19 1,21 13.222,22 4.997,23 2,24 3.874,25 3.874,26 3.874,27 7,28 72.755,29 0.404,30 0.268,31 0.359,32 21,33 5.556,34 1.536,35 -0.265,36 144.326,37 0.254,38 2,39 2,40 9.385,41 5,42 1.594,43 1.594,44 7.434,45 0.874,46 2,47 10.35,49 3.977,51 1,53 9.008,54 4.41,55 5.097,56 2,57 11.814,58 3.033,59 4,60 0.938,61 9.154,62 3.808,64 1,65 11.835,66 11.835,67 11.835,68 598.236,69 10.444}
{0 CHEMBL180763,1 1,2 1,3 1,4 2,5 1,6 1,7 28.991,8 4,9 3,11 1,13 18219,16 17,17 6.717,19 1,21 12.98,22 4.783,23 3,24 3.717,25 3.717,26 3.717,27 6,28 63.901,29 0.307,30 0.07,31 0.296,32 20,33 4,34 2.759,35 -0.108,36 123.789,37 0.192,38 1,39 1,40 9.347,41 3,42 1.74,43 1.74,44 7.434,45 1.03,46 3,47 9.8,49 3.913,51 1,53 9.57,54 4.416,55 5.103,56 1,57 11.611,58 3.015,59 4,60 1.073,61 8.609,62 3.899,64 1,65 10.833,66 10.833,67 10.833,68 566.618,69 8.595}
{0 CHEMBL181027,1 1,2 1,3 2,4 2,5 1,6 1,7 47.084,8 4,9 2,11 2,12 1,13 11073,16 11,17 6.514,19 1,21 12.89,22 4.718,23 2,24 3.818,25 3.818,26 3.818,27 7,28 72.341,29 0.406,30 0.207,31 0.359,32 17,33 4.444,34 2.718,35 -0.37,36 145.655,37 0.257,38 2,39 2,40 9.147,41 5,42 1.732,43 1.732,44 7.434,45 0.899,46 2,47 9.75,49 3.785,51 1,53 8.727,54 4.238,55 4.924,56 2,57 11.511,58 3.033,59 4,60 1.039,61 8.58,62 3.794,64 1,65 10.833,66 10.833,67 10.833,68 542.532,69 9.509}
{0 CHEMBL181274,1 1,2 1,3 2,4 2,5 1,6 1,7 23.542,8 4,9 2,11 2,13 18961,16 17,17 6.818,19 1,21 13.058,22 4.832,23 3,24 3.818,25 3.818,26 3.818,27 7,28 70.386,29 0.31,30 0.044,31 0.253,32 21,33 5.111,34 2.726,35 -0.147,36 134.946,37 0.195,38 2,39 2,40 9.411,41 5,42 1.691,43 1.691,44 7.434,45 1.09,46 3,47 9.929,49 3.884,51 1,53 9.61,54 4.44,55 5.127,56 2,57 11.678,58 3.015,59 4,60 1.001,61 8.739,62 3.795,64 1,65 10.833,66 10.833,67 10.833,68 600.405,69 8.983}
{0 CHEMBL181295,1 1,2 1,3 2,4 2,5 1,6 2,7 70.627,8 4,9 3,11 2,12 1,13 13669,16 11,17 6.514,19 1,21 12.907,22 4.718,23 2,24 3.818,25 3.818,26 3.818,27 7,28 78.767,29 0.389,30 0.357,31 0.46,32 17,33 4.667,34 2.712,35 -0.379,36 147.652,37 0.243,38 2,39 2,40 9.157,41 6,42 1.717,43 1.717,44 7.434,45 0.907,46 2,47 9.761,49 3.872,51 1,53 8.832,54 4.28,55 4.966,56 2,57 11.53,58 3.033,59 4,60 1.036,61 8.589,62 3.794,64 1,65 10.833,66 10.833,67 10.833,68 577.521,69 8.996}
{0 CHEMBL181355,9 2,13 11782,16 12,17 6.971,20 0.5,21 12.973,22 4.844,23 2,24 3.971,25 3.971,26 3.971,27 1,28 70.242,29 0.404,31 0.122,32 18,33 4.444,35 -0.009,36 118.929,37 0.255,40 9.352,42 1.628,43 1.628,44 7.435,45 0.907,46 2,47 9.937,48 2,49 4.028,52 2,53 8.772,54 4.394,55 5.081,57 11.602,58 3.174,59 4,60 1.066,61 8.726,62 3.867,65 10.751,66 10.751,67 10.751,68 501.17,69 5.276}
{0 CHEMBL181396,1 1,2 1,3 2,4 2,5 1,6 1,7 47.084,8 4,9 4,11 2,12 1,13 12689,16 11,17 6.514,19 1,21 12.911,22 4.718,23 2,24 3.818,25 3.818,26 3.818,27 7,28 72.097,29 0.398,30 0.207,31 0.359,32 17,33 4.667,34 2.731,35 -0.337,36 132.73,37 0.25,38 2,39 2,40 9.159,41 5,42 1.692,43 1.692,44 7.434,45 1.111,46 2,47 9.772,49 3.836,51 1,53 8.798,54 4.266,55 4.952,56 2,57 11.533,58 3.033,59 4,60 0.989,61 8.601,62 3.794,64 1,65 10.833,66 10.833,67 10.833,68 557.236,69 8.489}
{0 CHEMBL181623,1 1,2 1,3 2,4 2,5 1,6 1,7 47.084,8 4,9 3,11 2,12 1,13 14655,16 11,17 6.514,19 1,21 12.91,22 4.718,23 2,24 3.818,25 3.818,26 3.818,27 7,28 71.59,29 0.383,30 0.207,31 0.359,32 17,33 4.667,34 2.739,35 -0.309,36 135.903,37 0.238,38 2,39 2,40 9.16,41 5,42 1.656,43 1.656,44 7.434,45 0.968,46 2,47 9.773,49 3.886,51 1,53 8.865,54 4.294,55 4.98,56 2,57 11.534,58 3.033,59 4,60 0.954,61 8.592,62 3.794,64 1,65 10.833,66 10.833,67 10.833,68 561.884,69 9.959}
{0 CHEMBL181763,1 1,2 1,3 2,4 2,5 1,6 1,7 47.084,8 4,9 3,11 2,12 1,13 12744,16 11,17 6.514,19 1,21 12.904,22 4.718,23 2,24 3.818,25 3.818,26 3.818,27 7,28 72.184,29 0.396,30 0.207,31 0.359,32 17,33 4.667,34 2.73,35 -0.337,36 138.371,37 0.248,38 2,39 2,40 9.155,41 5,42 1.692,43 1.692,44 7.434,45 0.948,46 2,47 9.765,49 3.836,51 1,53 8.798,54 4.266,55 4.952,56 2,57 11.526,58 3.033,59 4,60 0.99,61 8.592,62 3.794,64 1,65 10.833,66 10.833,67 10.833,68 553.884,69 9.495}
{0 CHEMBL181768,1 1,2 1,3 1,4 2,5 1,6 1,7 35.313,8 4,9 3,11 1,13 16083,16 17,17 6.659,19 1,21 12.911,22 4.663,23 3,24 3.659,25 3.659,26 3.659,27 5,28 60.945,29 0.309,30 0.07,31 0.296,32 19,33 3.778,34 2.802,35 -0.123,36 112.529,37 0.194,38 1,39 1,40 9.254,41 1,42 1.793,43 1.793,44 7.434,45 1.012,46 3,47 9.672,49 3.942,51 1,53 9.428,54 4.379,55 5.066,57 11.546,58 3.015,59 4,60 1.059,61 8.478,62 3.899,65 10.833,66 10.833,67 10.833,68 529.46,69 8.947}
{0 CHEMBL181775,1 1,2 1,4 2,5 1,6 1,7 24.288,8 4,9 2,13 41277,16 21,17 7.431,19 1,21 13.242,22 5.075,23 3,24 4.431,25 4.431,26 4.431,27 4,28 59.937,29 0.256,30 0.07,31 0.267,32 25,33 4.222,34 2.809,35 -0.086,36 110.408,37 0.16,38 1,39 1,40 9.833,41 3,42 1.75,43 1.75,44 7.434,45 1.028,46 4,47 9.904,49 4.037,51 1,53 11.456,54 4.603,55 5.291,57 11.848,58 3.015,59 4,60 1.062,61 8.705,62 3.9,63 1,65 10.846,66 10.846,67 10.846,68 607.718,69 8.616}
{0 CHEMBL181948,1 1,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 4,11 1,13 17545,16 17,17 6.655,19 1,21 12.913,22 4.663,23 3,24 3.655,25 3.655,26 3.655,27 6,28 65.685,29 0.303,30 0.07,31 0.267,32 19,33 3.778,34 2.789,35 -0.196,36 119.42,37 0.189,38 2,39 2,40 9.255,41 4,42 1.769,43 1.769,44 7.434,45 1.083,46 3,47 9.703,49 3.916,51 1,53 9.456,54 4.391,55 5.078,56 1,57 11.55,58 3.015,59 4,60 1.042,61 8.508,62 3.899,65 10.832,66 10.832,67 10.832,68 552.17,69 8.013}
{0 CHEMBL182078,9 2,13 17281,16 18,17 6.975,20 0.5,21 13.101,22 4.945,23 3,24 3.975,25 3.975,26 3.975,27 1,28 68.879,29 0.322,31 0.122,32 22,33 4.444,35 0.015,36 122.274,37 0.204,40 9.554,42 1.613,43 1.613,44 7.435,45 0.914,46 3,47 10.033,48 2,49 4.113,52 2,53 9.366,54 4.57,55 5.257,57 11.735,58 3.174,59 4,60 1.084,61 8.805,62 3.871,65 10.802,66 10.802,67 10.802,68 563.17,69 5.377}
{0 CHEMBL182095,9 2,13 4598,16 6,17 6.445,20 0.5,21 12.596,22 4.527,23 1,24 3.445,25 3.445,26 3.445,27 1,28 75.403,29 0.566,32 13,33 3.778,35 0.011,36 152.607,37 0.358,40 8.759,42 1.602,43 1.602,44 7.435,45 0.889,46 1,47 9.626,48 2,49 3.708,51 1,52 2,53 7.455,54 4.069,55 4.754,57 11.252,58 3.174,59 4,60 1.005,61 8.466,62 3.852,65 9.703,66 9.703,67 9.703,68 384.164,69 5.468}
{0 CHEMBL182096,9 2,13 11733,16 12,17 6.98,20 0.5,21 13.012,22 4.89,23 2,24 3.98,25 3.98,26 3.98,27 1,28 71.611,29 0.407,31 0.122,32 19,33 4.444,35 -0.009,36 120.362,37 0.257,40 9.369,42 1.628,43 1.628,44 7.435,45 0.893,46 2,47 10.029,48 3,49 4.028,52 3,53 8.772,54 4.407,55 5.094,57 11.638,58 3.174,59 4,60 1.075,61 8.822,62 3.881,65 11.244,66 11.244,67 11.244,68 504.17,69 5}
{0 CHEMBL182103,1 2,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 5,11 1,13 21518,16 17,17 6.655,19 1,21 12.932,22 4.705,23 3,24 3.655,25 3.655,26 3.655,27 4,28 67.452,29 0.295,30 0.296,31 0.401,32 20,33 4.444,34 2.803,35 -0.186,36 143.059,37 0.183,40 9.132,41 3,42 1.682,43 1.682,44 7.436,45 1.02,46 3,47 9.824,49 3.958,51 1,53 9.102,54 4.363,55 5.05,57 11.568,58 3.206,59 5,60 0.984,61 8.629,62 3.899,65 10.832,66 10.832,67 10.832,68 539.048,69 8}
{0 CHEMBL182295,9 2,13 10851,16 12,17 6.966,20 0.5,21 12.956,22 4.844,23 2,24 3.966,25 3.966,26 3.966,27 1,28 70.578,29 0.396,31 0.122,32 18,33 4.444,35 -0.008,36 124.447,37 0.249,40 9.343,42 1.667,43 1.667,44 7.435,45 0.916,46 2,47 9.893,48 2,49 3.986,52 2,53 8.73,54 4.369,55 5.056,57 11.586,58 3.174,59 4,60 1.096,61 8.696,62 3.861,65 10.413,66 10.413,67 10.413,68 492.17,69 5.433}
{0 CHEMBL182563,9 2,13 6310,16 6,17 7.086,20 0.5,21 13.458,22 5.027,23 1,24 4.086,25 4.086,26 4.086,27 1,28 376.248,29 0.594,30 0.129,31 0.33,32 20,33 6.222,35 -0.027,36 751.817,37 0.377,40 9.287,42 1.985,43 1.985,44 8.499,45 0.803,46 1,47 10.591,48 1,49 3.884,51 1,52 2,53 7.646,54 4.256,55 4.942,57 11.969,58 4.178,59 4,60 0.745,61 9.337,62 4.345,65 17.878,66 17.878,67 17.878,68 634.921,69 5}
{0 CHEMBL183109,7 52.123,9 2,13 11782,16 12,17 6.972,20 0.5,21 13.02,22 4.844,23 2,24 3.972,25 3.972,26 3.972,27 1,28 73.9,29 0.404,31 0.122,32 18,33 4.444,35 -0.002,36 134.33,37 0.255,40 9.364,42 1.658,43 1.658,44 7.435,45 0.899,46 2,47 9.937,48 2,49 4.022,52 2,53 8.813,54 4.419,55 5.106,57 11.654,58 3.174,59 4,60 1.111,61 8.726,62 3.873,65 10.751,66 10.751,67 10.751,68 515.17,69 5.441}
{0 CHEMBL183120,9 2,13 13328,16 18,17 7.138,20 0.5,21 13.27,22 4.879,23 3,24 4.138,25 4.138,26 4.138,27 1,28 66.493,29 0.326,31 0.027,32 22,33 5.111,35 0.065,36 141.599,37 0.207,40 9.554,42 1.56,43 1.56,44 7.435,45 0.966,46 3,47 10.571,48 1,49 3.95,51 1,52 2,53 9.085,54 4.516,55 5.204,57 11.842,58 3.495,59 4,60 1.002,61 9.285,62 4.345,65 15.295,66 15.295,67 15.295,68 530.921,69 5}
{0 CHEMBL183379,9 2,13 10851,16 12,17 6.966,21 12.956,22 4.844,23 2,24 3.966,25 3.966,26 3.966,27 1,28 78.499,29 0.396,30 0.024,31 0.195,32 18,33 4.444,35 0.013,36 145.606,37 0.249,40 9.343,42 1.713,43 1.713,44 7.435,45 0.913,46 2,47 9.844,48 1,49 3.989,51 1,52 1,53 8.73,54 4.369,55 5.056,57 11.586,58 3.27,59 4,60 1.03,61 8.649,62 3.888,65 10.413,66 10.413,67 10.413,68 506.442,69 7.041}
{0 CHEMBL183564,9 2,13 8378,16 12,17 6.919,20 0.5,21 13.059,22 4.771,23 2,24 3.919,25 3.919,26 3.919,27 1,28 69.462,29 0.4,31 0.024,32 18,33 4.667,35 0.045,36 146.453,37 0.252,40 9.272,42 1.593,43 1.593,44 7.435,45 0.962,46 2,47 10.302,48 1,49 3.824,51 1,52 2,53 8.402,54 4.317,55 5.004,57 11.65,58 3.27,59 4,60 1.057,61 9.063,62 4.209,65 13.442,66 13.442,67 13.442,68 458.921,69 5.559}
{0 CHEMBL183619,9 2,13 10851,16 12,17 6.966,21 12.956,22 4.844,23 2,24 3.966,25 3.966,26 3.966,27 1,28 77.634,29 0.396,30 0.024,31 0.195,32 18,33 4.444,35 0.016,36 142.871,37 0.249,40 9.343,42 1.713,43 1.713,44 7.435,45 0.771,46 2,47 9.837,48 1,49 4.059,51 1,52 1,53 8.73,54 4.369,55 5.056,57 11.586,58 3.27,59 4,60 1.027,61 8.64,62 3.888,65 10.413,66 10.413,67 10.413,68 504.018,69 6.87}
{0 CHEMBL183655,9 2,13 4910,16 6,17 6.604,20 0.5,21 12.875,22 4.649,23 1,24 3.604,25 3.604,26 3.604,27 1,28 72.663,29 0.572,32 14,33 4.444,35 0.01,36 156.89,37 0.362,40 8.931,42 1.582,43 1.582,44 7.435,45 0.96,46 1,47 10.133,48 1,49 3.736,51 1,52 2,53 7.495,54 4.103,55 4.787,57 11.477,58 3.174,59 4,60 1.059,61 8.928,62 4.084,65 12.841,66 12.841,67 12.841,68 398.921,69 5}
{0 CHEMBL183760,9 2,13 8024,16 12,17 6.609,20 0.5,21 12.761,22 4.605,23 2,24 3.609,25 3.609,26 3.609,27 1,28 70,29 0.393,31 0.024,32 16,33 3.778,35 0.048,36 135.116,37 0.247,40 9.104,42 1.612,43 1.612,44 7.435,45 0.97,46 2,47 9.726,48 1,49 3.798,51 1,52 1,53 8.377,54 4.277,55 4.963,57 11.41,58 3.27,59 4,60 0.999,61 8.526,62 3.879,65 9.783,66 9.783,67 9.783,68 441.164,69 5.979}
{0 CHEMBL185356,7 21.723,9 2,13 4342,16 6,17 6.879,20 1,21 12.678,22 4.677,23 1,24 3.879,25 3.879,26 3.879,27 1,28 111.663,29 0.564,32 13,33 3.778,35 -0.085,36 195.7,37 0.355,40 8.99,42 1.908,43 1.908,44 7.475,45 0.897,46 1,47 9.438,48 1,49 3.671,52 1,53 7.572,54 4.069,55 4.754,57 11.316,58 3.217,59 4,60 0.903,61 8.276,62 3.747,65 9.615,66 9.615,67 9.615,68 437.366,69 8}
{0 CHEMBL1907830,8 2,9 2,10 1,12 1,13 19918,14 1,15 1,16 20,17 7.775,18 5.807,20 1,21 13.397,22 5.094,23 3,24 4.775,25 4.775,26 4.775,27 3,28 53.321,29 0.304,32 23,33 4.222,35 -0.12,36 112.288,37 0.196,40 9.97,41 3,42 1.737,43 1.737,44 7.499,45 1.228,46 4,47 10.216,49 3.766,50 1,53 9.78,54 4.317,55 5.004,57 11.898,59 4,60 0.675,61 8.973,62 3.881,63 1,65 13.923,66 13.923,67 13.923,68 427.602,69 7.328}
{0 CHEMBL195150,7 11.771,8 1,9 2,13 6866,16 15,17 6.907,20 1,21 12.532,22 4.29,23 2,24 3.907,25 3.907,26 3.907,27 2,28 28.014,29 0.373,32 15,33 2.444,35 -0.163,36 32.642,37 0.241,38 1,39 1,40 9.124,41 2,42 1.729,43 1.729,44 4.979,45 1.318,46 3,47 8.929,49 3.404,53 8.916,54 3.927,55 4.61,57 11.133,59 1,60 0.824,61 7.749,62 3.429,65 9.689,66 9.689,67 9.689,68 347.126,69 4.337}
{0 CHEMBL195614,7 11.771,9 1,13 20485,16 21,17 7.051,20 1,21 13.016,22 4.718,23 3,24 4.051,25 4.051,26 4.051,28 135.568,29 0.3,32 22,33 3.333,35 -0.03,36 87.467,37 0.191,38 1,39 1,40 9.538,42 1.836,43 1.836,44 7.999,45 1.06,46 4,47 9.507,49 3.604,53 10.814,54 4.238,55 4.924,57 11.59,58 3.903,60 0.519,61 8.303,62 3.443,65 11.701,66 11.701,67 11.701,68 470.035,69 5.208}
{0 CHEMBL196855,1 1,7 8.692,8 2,9 3,10 1,12 1,13 57424,14 1,15 1,16 25,17 7.778,18 5.807,20 1,21 13.585,22 5.278,23 4,24 4.778,25 4.778,26 4.778,27 6,28 64.884,29 0.243,32 29,33 4.667,35 -0.187,36 144.255,37 0.153,38 1,39 1,40 10.153,41 4,42 1.813,43 1.813,44 7.715,45 1.148,46 5,47 10.406,49 3.964,50 1,53 11.421,54 4.57,55 5.257,57 12.099,58 0.325,59 4,60 0.755,61 9.152,62 3.98,63 1,65 13.939,66 13.939,67 13.939,68 586.432,69 6.87}
{0 CHEMBL197237,8 2,9 2,10 1,12 1,13 19918,14 1,15 1,16 20,17 7.775,18 5.807,20 1,21 13.397,22 5.094,23 3,24 4.775,25 4.775,26 4.775,27 3,28 60.067,29 0.304,32 23,33 4.222,35 -0.211,36 125.76,37 0.196,38 1,39 1,40 9.97,41 4,42 1.802,43 1.802,44 7.499,45 1.291,46 4,47 10.198,49 3.777,50 1,53 9.78,54 4.317,55 5.004,57 11.898,59 4,60 0.73,61 8.96,62 3.881,63 1,65 13.923,66 13.923,67 13.923,68 457.479,69 6.847}
{0 CHEMBL1974856,7 1.358,8 2,13 22942,16 21,17 7.511,19 1,20 1,21 13.222,22 4.997,23 3,24 4.511,25 4.511,26 4.511,28 23.063,29 0.297,32 22,33 3.333,34 1.613,35 0.145,36 41.908,37 0.191,40 10.029,42 1.523,43 1.523,44 6.469,45 1.335,46 4,47 9.958,49 3.67,53 12.432,54 4.48,55 5.168,57 11.781,59 1,60 0.91,61 8.703,62 3.193,65 11.257,66 11.257,67 11.257,68 423.719,69 4.069}
{0 CHEMBL197535,8 2,9 2,10 1,12 1,13 19918,14 1,15 1,16 20,17 7.775,18 5.807,20 1,21 13.397,22 5.094,23 3,24 4.775,25 4.775,26 4.775,27 4,28 60.397,29 0.304,32 23,33 4.222,35 -0.211,36 125.62,37 0.196,38 1,39 1,40 9.97,41 3,42 1.802,43 1.802,44 7.499,45 1.294,46 4,47 10.196,49 3.777,50 1,53 9.78,54 4.317,55 5.004,57 11.898,59 4,60 0.722,61 8.958,62 3.881,63 1,65 13.923,66 13.923,67 13.923,68 457.479,69 6.668}
{0 CHEMBL197549,1 1,8 2,9 3,10 1,12 1,13 55016,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.543,22 5.207,23 4,24 4.776,25 4.776,26 4.776,27 7,28 55.824,29 0.248,32 28,33 4.667,35 -0.223,36 123.377,37 0.157,38 1,39 1,40 10.113,41 3,42 1.684,43 1.684,44 7.497,45 1.202,46 5,47 10.374,49 3.958,50 1,53 11.311,54 4.549,55 5.236,57 12.056,58 0.325,59 4,60 0.71,61 9.118,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 544.747,69 7.851}
{0 CHEMBL198682,1 1,7 14.96,8 2,9 3,10 1,12 1,13 61487,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.578,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 7,28 59.554,29 0.245,32 29,33 5.111,35 -0.182,36 153.37,37 0.155,38 1,39 1,40 10.149,41 3,42 1.788,43 1.788,44 7.715,45 1.196,46 5,47 10.39,49 3.986,50 1,53 11.431,54 4.58,55 5.268,57 12.094,58 0.325,59 4,60 0.754,61 9.14,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 588.08,69 7.821}
{0 CHEMBL198755,1 1,8 2,9 3,10 1,12 1,13 68346,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.585,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 7,28 56.981,29 0.241,32 29,33 5.111,35 -0.192,36 117.818,37 0.152,38 1,39 1,40 10.155,41 3,42 1.723,43 1.723,44 7.497,45 1.169,46 5,47 10.393,49 4.058,50 1,53 11.538,54 4.59,55 5.278,57 12.102,58 0.325,59 4,60 0.726,61 9.143,62 4.327,63 1,65 13.925,66 13.925,67 13.925,68 572.461,69 7.633}
{0 CHEMBL200220,1 1,8 2,9 3,10 1,12 1,13 68346,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.585,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 6,28 54.338,29 0.241,32 29,33 5.111,35 -0.153,36 114.543,37 0.152,40 10.155,41 3,42 1.661,43 1.661,44 7.497,45 1.152,46 5,47 10.398,49 4.053,50 1,53 11.538,54 4.59,55 5.278,57 12.102,58 0.325,59 4,60 0.721,61 9.144,62 4.327,63 1,65 13.925,66 13.925,67 13.925,68 558.349,69 7.387}
{0 CHEMBL200476,1 1,8 2,9 3,10 1,12 1,13 82844,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.617,22 5.338,23 4,24 4.776,25 4.776,26 4.776,27 7,28 67.185,29 0.233,32 30,33 5.111,35 -0.197,36 134.499,37 0.146,40 10.173,41 3,42 1.649,43 1.649,44 7.498,45 1.196,46 5,47 10.419,49 4.047,50 1,53 11.804,54 4.64,55 5.328,57 12.14,58 2.283,59 5,60 0.804,61 9.171,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 623.543,69 7.458}
{0 CHEMBL200493,1 1,7 14.96,8 2,9 3,10 1,12 1,13 57424,14 1,15 1,16 25,17 7.778,18 5.807,20 1,21 13.599,22 5.278,23 4,24 4.778,25 4.778,26 4.778,27 6,28 55.477,29 0.245,32 29,33 5.111,35 -0.149,36 148.644,37 0.155,40 10.167,41 3,42 1.746,43 1.746,44 7.715,45 1.114,46 5,47 10.433,49 3.959,50 1,53 11.45,54 4.57,55 5.257,57 12.111,58 0.325,59 4,60 0.784,61 9.179,62 3.98,63 1,65 13.939,66 13.939,67 13.939,68 570.968,69 7.585}
{0 CHEMBL2004978,8 5,13 19315,16 21,17 7.084,19 2,20 1,21 13.116,22 4.745,23 2,24 4.084,25 4.084,26 4.084,27 1,28 22.448,29 0.279,32 22,33 3.556,34 2.74,35 0.129,36 73.534,37 0.176,40 9.542,42 1.516,43 1.516,44 6.47,45 0.925,46 4,47 10.228,49 3.612,52 1,53 10.944,54 4.317,55 5.004,57 11.689,59 1,60 0.675,61 8.968,62 3.561,65 12.982,66 12.982,67 12.982,68 418.613,69 4.069}
{0 CHEMBL200653,1 1,7 8.692,8 2,9 3,10 1,12 1,13 61487,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.578,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 7,28 64.253,29 0.245,32 29,33 5.111,35 -0.182,36 155.878,37 0.155,38 1,39 1,40 10.149,41 4,42 1.788,43 1.788,44 7.715,45 1.155,46 5,47 10.385,49 3.986,50 1,53 11.431,54 4.58,55 5.268,57 12.094,58 0.325,59 4,60 0.701,61 9.134,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 590.432,69 7.839}
{0 CHEMBL200677,1 1,8 2,9 3,10 1,12 1,13 68346,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.585,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 7,28 59.825,29 0.241,32 29,33 5.111,35 -0.203,36 121.516,37 0.152,40 10.155,41 3,42 1.63,43 1.63,44 7.497,45 1.209,46 5,47 10.404,49 4.006,50 1,53 11.538,54 4.59,55 5.278,57 12.102,58 0.325,59 4,60 0.729,61 9.151,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 571.18,69 7.584}
{0 CHEMBL200767,8 2,9 2,10 1,12 1,13 18335,14 1,15 1,16 19,17 7.777,18 5.807,20 1,21 13.404,22 5.094,23 3,24 4.777,25 4.777,26 4.777,27 3,28 55.467,29 0.299,32 23,33 4,35 -0.157,36 112.703,37 0.191,40 9.973,41 3,42 1.757,43 1.757,44 7.499,45 1.193,46 4,47 10.223,49 3.744,50 1,53 9.756,54 4.304,55 4.99,57 11.904,59 4,60 0.772,61 8.978,62 3.881,63 1,65 13.938,66 13.938,67 13.938,68 439.367,69 5.87}
{0 CHEMBL200785,1 1,8 2,9 3,10 1,12 1,13 51329,14 1,15 1,16 25,17 7.778,18 5.807,20 1,21 13.549,22 5.207,23 4,24 4.778,25 4.778,26 4.778,27 6,28 51.542,29 0.245,32 28,33 4.444,35 -0.187,36 112.859,37 0.155,40 10.116,41 3,42 1.639,43 1.639,44 7.497,45 1.118,46 5,47 10.396,49 3.93,50 1,53 11.291,54 4.538,55 5.226,57 12.061,58 0.325,59 4,60 0.748,61 9.135,62 3.979,63 1,65 13.939,66 13.939,67 13.939,68 526.634,69 7.53}
{0 CHEMBL200813,1 1,8 2,9 3,10 1,12 1,13 63891,14 1,15 1,16 25,17 7.778,18 5.807,20 1,21 13.592,22 5.278,23 4,24 4.778,25 4.778,26 4.778,27 7,28 58.4,29 0.238,32 29,33 4.889,35 -0.21,36 114.518,37 0.149,40 10.158,41 3,42 1.649,43 1.649,44 7.497,45 1.152,46 5,47 10.42,49 3.984,50 1,53 11.519,54 4.58,55 5.268,57 12.107,58 0.325,59 4,60 0.773,61 9.166,62 3.98,63 1,65 13.939,66 13.939,67 13.939,68 567.18,69 7.635}
{0 CHEMBL200886,1 1,7 14.96,8 2,9 3,10 1,12 1,13 57424,14 1,15 1,16 25,17 7.778,18 5.807,20 1,21 13.584,22 5.278,23 4,24 4.778,25 4.778,26 4.778,27 6,28 53.979,29 0.242,32 29,33 4.889,35 -0.149,36 139.903,37 0.152,40 10.152,41 3,42 1.746,43 1.746,44 7.715,45 1.113,46 5,47 10.412,49 3.959,50 1,53 11.411,54 4.57,55 5.257,57 12.099,58 0.325,59 4,60 0.794,61 9.156,62 3.98,63 1,65 13.939,66 13.939,67 13.939,68 569.968,69 7.678}
{0 CHEMBL200927,1 1,8 2,9 3,10 1,12 1,13 61487,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.578,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 6,28 55.758,29 0.245,32 29,33 5.111,35 -0.152,36 137.907,37 0.155,40 10.149,41 3,42 1.649,43 1.649,44 7.497,45 1.18,46 5,47 10.399,49 3.979,50 1,53 11.431,54 4.58,55 5.268,57 12.094,58 0.325,59 4,60 0.734,61 9.146,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 559.665,69 7.318}
{0 CHEMBL202971,6 1,8 3,13 4670,16 10,17 7.156,20 1,21 12.713,22 4.62,23 1,24 4.156,25 4.156,26 4.156,28 82.964,29 0.452,32 14,33 2.667,35 0.018,36 161.567,37 0.291,40 9.146,41 1,42 1.766,43 1.766,44 7.474,45 1.036,46 2,47 9.729,49 3.279,50 1,53 8.137,54 3.961,55 4.644,57 11.308,58 2.591,59 5,60 1.028,61 8.505,62 3.647,65 10.947,66 10.947,67 10.947,68 370.719,69 6.866}
{0 CHEMBL203709,8 3,13 15975,16 16,17 7.156,20 1,21 13.005,22 4.856,23 2,24 4.156,25 4.156,26 4.156,28 51.705,29 0.307,32 19,33 3.556,35 -0.05,36 122.558,37 0.189,40 9.516,41 1,42 1.693,43 1.693,44 7.433,45 1.083,46 3,47 9.933,49 3.605,50 1,53 9.679,54 4.304,55 4.99,57 11.602,58 2.179,59 5,60 1.024,61 8.702,62 3.647,65 10.947,66 10.947,67 10.947,68 483.488,69 6.662}
{0 CHEMBL204245,8 4,13 11682,16 16,17 7.156,20 1,21 13.071,22 4.945,23 2,24 4.156,25 4.156,26 4.156,27 1,28 82.7,29 0.344,32 19,33 3.778,35 0.141,36 173.061,37 0.217,40 9.646,41 3,42 1.77,43 1.77,44 7.502,45 1.128,46 3,47 9.982,49 3.467,50 1,53 9.781,54 4.29,55 4.977,56 2,57 11.652,58 2.361,59 6,60 0.768,61 8.759,62 3.779,65 10.941,66 10.941,67 10.941,68 477.417,69 5.567}
{0 CHEMBL206435,8 3,13 1380,16 10,17 7.105,20 1,21 12.394,22 4.159,23 1,24 4.105,25 4.105,26 4.105,28 29.89,29 0.609,32 11,33 2,35 0.039,36 80.819,37 0.435,40 8.889,42 1.676,43 1.676,44 7.425,45 1.231,46 2,47 9.526,49 2.819,50 1,53 7.217,54 3.597,55 4.277,57 10.964,59 3,60 0.859,61 8.28,62 3.44,65 10.883,66 10.883,67 10.883,68 232.163,69 6.413}
{0 CHEMBL2096776,9 2,13 8024,16 12,17 6.609,20 0.5,21 12.761,22 4.605,23 2,24 3.609,25 3.609,26 3.609,27 1,28 70,29 0.393,31 0.024,32 16,33 3.778,35 0.048,36 135.116,37 0.247,40 9.104,42 1.612,43 1.612,44 7.435,45 0.97,46 2,47 9.726,48 1,49 3.798,51 1,52 1,53 8.377,54 4.277,55 4.963,57 11.41,58 3.27,59 4,60 0.999,61 8.526,62 3.879,65 9.783,66 9.783,67 9.783,68 441.164,69 4.964}
{0 CHEMBL213759,1 1,7 14.96,8 2,9 5,10 1,12 1,13 83232,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.589,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 7,28 75.444,29 0.231,32 29,33 5.111,35 -0.161,36 134.207,37 0.145,40 10.157,41 3,42 1.707,43 1.707,44 7.715,45 1.198,46 5,47 10.406,49 4.053,50 1,53 11.723,54 4.61,55 5.298,57 12.107,58 0.325,59 4,60 0.712,61 9.152,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 600.755,69 7.64}
{0 CHEMBL215480,1 1,7 14.96,8 2,9 5,10 1,12 1,13 36822,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.511,22 5.207,23 3,24 4.776,25 4.776,26 4.776,27 7,28 82.709,29 0.283,32 25,33 4.889,35 -0.202,36 137.366,37 0.179,40 10.052,41 3,42 1.761,43 1.761,44 7.715,45 1.19,46 4,47 10.364,49 3.94,50 1,53 10.424,54 4.431,55 5.118,57 12.015,58 0.325,59 4,60 0.704,61 9.12,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 520.028,69 7.03}
{0 CHEMBL216071,1 1,8 2,9 5,10 1,12 1,13 112563,14 2,15 2,16 26,17 7.776,18 13.557,20 0.5,21 13.909,22 5.64,23 4,24 4.776,25 4.776,26 4.776,27 7,28 120.735,29 0.204,32 33,33 6.889,35 -0.221,36 191.153,37 0.124,40 10.509,41 3,42 1.699,43 1.699,44 7.713,45 1.188,46 5,47 10.617,49 4.278,50 1,53 12.136,54 4.766,55 5.455,57 12.403,58 0.325,59 6,60 0.706,61 9.386,62 4.731,63 1,65 13.925,66 13.925,67 13.925,68 692.567,69 7.86}
{0 CHEMBL216447,1 1,8 2,9 5,10 1,12 1,13 36822,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.511,22 5.207,23 3,24 4.776,25 4.776,26 4.776,27 7,28 65.925,29 0.283,32 25,33 4.889,35 -0.247,36 120.98,37 0.179,40 10.052,41 3,42 1.761,43 1.761,44 7.497,45 1.022,46 4,47 10.364,49 4.034,50 1,53 10.424,54 4.431,55 5.118,57 12.015,58 0.325,59 4,60 0.726,61 9.12,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 510.228,69 7.59}
{0 CHEMBL216819,1 1,8 2,9 2,10 1,12 1,13 8303,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.363,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 61.694,29 0.403,32 20,33 4.444,35 -0.33,36 127.487,37 0.267,40 9.873,41 3,42 1.766,43 1.766,44 7.497,45 1.27,46 3,47 10.252,49 3.653,50 1,53 8.441,54 4.103,55 4.787,57 11.842,58 0.325,59 4,60 0.69,61 9.018,62 3.966,63 1,65 13.924,66 13.924,67 13.924,68 376.555,69 6.517}
{0 CHEMBL217220,1 1,8 2,9 3,10 1,12 1,13 26357,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.5,22 5.207,23 3,24 4.776,25 4.776,26 4.776,27 6,28 62.193,29 0.304,32 25,33 4.889,35 -0.202,36 141.728,37 0.196,40 10.043,41 3,42 1.703,43 1.703,44 7.497,45 1.165,46 4,47 10.357,49 3.856,50 1,53 10.123,54 4.394,55 5.081,57 12.001,58 0.325,59 4,60 0.721,61 9.114,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 478.937,69 7.491}
{0 CHEMBL217457,1 1,8 2,9 3,10 1,12 1,13 26357,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.5,22 5.207,23 3,24 4.776,25 4.776,26 4.776,27 6,28 59.055,29 0.304,32 25,33 4.889,35 -0.218,36 122.246,37 0.196,40 10.043,41 3,42 1.788,43 1.788,44 7.497,45 0.875,46 4,47 10.338,49 4.032,50 1,53 10.123,54 4.394,55 5.081,57 12.001,58 0.325,59 4,60 0.69,61 9.089,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 471.216,69 8.745}
{0 CHEMBL217777,1 1,8 2,9 3,10 1,12 1,13 29616,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.508,22 5.207,23 3,24 4.776,25 4.776,26 4.776,27 7,28 65.067,29 0.297,32 25,33 4.889,35 -0.258,36 122.539,37 0.19,40 10.05,41 3,42 1.679,43 1.679,44 7.497,45 1.199,46 4,47 10.362,49 3.887,50 1,53 10.233,54 4.407,55 5.094,57 12.01,58 0.325,59 4,60 0.715,61 9.119,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 490.452,69 8.398}
{0 CHEMBL217821,1 1,7 11.771,8 2,9 3,10 1,12 1,13 113034,14 1,15 1,16 26,17 7.776,20 1,21 13.85,22 5.497,23 4,24 4.776,25 4.776,26 4.776,27 7,28 68.45,29 0.223,32 35,33 7.111,35 -0.108,36 137.969,37 0.138,40 10.254,41 3,42 1.61,43 1.61,44 7.497,45 0.883,46 5,47 11.112,49 4.215,50 1,52 1,53 12.014,54 4.705,55 5.394,57 12.356,58 0.325,59 4,60 0.751,61 9.833,62 3.979,63 1,65 14.438,66 14.438,67 14.438,68 611.625,69 6.437}
{0 CHEMBL220238,1 1,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 3,11 1,13 44079,16 23,17 6.954,19 1,21 13.149,22 4.89,23 4,24 3.954,25 3.954,26 3.954,27 8,28 66.055,29 0.244,30 0.07,31 0.296,32 24,33 4.444,34 2.73,35 -0.083,36 126.113,37 0.151,38 2,39 2,40 9.603,41 3,42 1.738,43 1.738,44 7.434,45 1.043,46 4,47 9.962,49 4.033,51 1,53 11.405,54 4.598,55 5.286,56 1,57 11.774,58 3.015,59 4,60 1.044,61 8.745,62 3.899,64 1,65 10.833,66 10.833,67 10.833,68 655.33,69 8}
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{0 CHEMBL23226,7 21.723,9 2,13 3322,16 6,17 6.448,20 1,21 12.441,22 4.388,23 1,24 3.448,25 3.448,26 3.448,27 1,28 97.899,29 0.568,32 11,33 2.889,35 -0.089,36 163.811,37 0.36,40 8.663,42 1.712,43 1.712,44 7.475,45 0.892,46 1,47 9.37,48 1,49 3.513,52 1,53 7.284,54 3.961,55 4.644,57 11.104,58 3.217,59 4,60 0.87,61 8.198,62 3.746,65 9.615,66 9.615,67 9.615,68 382.641,69 8.155}
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{0 CHEMBL2348691,8 2,9 2,10 1,12 1,13 8419,14 1,15 1,16 14,17 7.775,18 5.807,20 1,21 13.304,22 5.007,23 2,24 4.775,25 4.775,26 4.775,27 5,28 64.847,29 0.392,32 19,33 4,35 -0.213,36 118.285,37 0.258,40 9.842,41 3,42 1.766,43 1.766,44 7.499,45 1.19,46 3,47 10.159,49 3.649,50 1,53 8.423,54 4.086,55 4.771,57 11.787,59 4,60 0.686,61 8.925,62 3.881,63 1,65 13.923,66 13.923,67 13.923,68 366.639,69 6.268}
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{0 CHEMBL264344,1 1,2 1,3 2,4 2,5 1,6 1,7 47.084,8 4,9 3,11 2,12 1,13 11879,16 11,17 6.514,19 1,21 12.9,22 4.718,23 2,24 3.818,25 3.818,26 3.818,27 7,28 72.264,29 0.401,30 0.207,31 0.359,32 17,33 4.667,34 2.724,35 -0.353,36 138.001,37 0.253,38 2,39 2,40 9.153,41 5,42 1.712,43 1.712,44 7.434,45 1.024,46 2,47 9.76,49 3.811,51 1,53 8.763,54 4.252,55 4.938,56 2,57 11.522,58 3.033,59 4,60 1.011,61 8.59,62 3.794,64 1,65 10.833,66 10.833,67 10.833,68 549.884,69 9.268}
{0 CHEMBL293034,1 1,8 2,9 2,10 1,12 1,13 22193,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.452,22 5.13,23 3,24 4.776,25 4.776,26 4.776,27 6,28 54.603,29 0.304,32 24,33 4.667,35 -0.242,36 123.205,37 0.195,40 9.998,41 3,42 1.7,43 1.7,44 7.497,45 1.275,46 4,47 10.299,49 3.801,50 1,53 9.863,54 4.344,55 5.03,57 11.95,58 0.325,59 4,60 0.703,61 9.053,62 3.967,63 1,65 13.924,66 13.924,67 13.924,68 457.282,69 6.517}
{0 CHEMBL293622,1 1,8 2,13 1869,16 9,17 7.225,20 1,21 12.723,22 4.559,23 1,24 4.225,25 4.225,26 4.225,27 5,28 70.076,29 0.57,32 13,33 2.667,35 -0.035,36 113.535,37 0.395,40 9.248,41 2,42 1.819,43 1.819,44 7.497,45 1.26,46 2,47 9.7,49 2.993,50 1,53 7.56,54 3.795,55 4.477,56 2,57 11.272,58 2.396,59 4,60 0.65,61 8.47,62 3.774,63 1,65 11.532,66 11.532,67 11.532,68 303.807,69 6.538}
{0 CHEMBL305545,8 2,9 2,10 1,12 1,13 4671,14 1,15 1,16 14,17 7.77,18 5.807,20 1,21 13.251,22 4.966,23 2,24 4.77,25 4.77,26 4.77,27 3,28 59.819,29 0.425,32 18,33 3.556,35 -0.19,36 130.885,37 0.285,40 9.821,41 3,42 1.856,43 1.856,44 7.498,45 1.031,46 3,47 10.053,49 3.504,50 1,53 8.07,54 3.998,55 4.682,57 11.729,59 4,60 0.682,61 8.825,62 3.881,63 1,65 13.629,66 13.629,67 13.629,68 328.56,69 5.523}
{0 CHEMBL316465,7 11.771,9 1,13 14231,16 15,17 7.43,20 1,21 12.856,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 1,28 56.827,29 0.306,32 19,33 3.333,35 0.011,36 121,37 0.191,40 9.477,42 1.607,43 1.607,44 7.429,45 0.936,46 3,47 9.72,48 1,49 3.747,52 1,53 9.523,54 4.256,55 4.942,57 11.469,58 2.848,59 3,60 1.001,61 8.512,62 3.816,65 10.194,66 10.194,67 10.194,68 424.546,69 5.444}
{0 CHEMBL317246,7 11.771,9 1,13 13561,16 15,17 7.43,20 1,21 12.872,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 1,28 61.876,29 0.306,32 19,33 3.556,35 -0.053,36 133.608,37 0.19,40 9.482,41 1,42 1.56,43 1.56,44 7.429,45 0.912,46 3,47 9.798,48 1,49 3.652,52 1,53 9.493,54 4.241,55 4.927,57 11.48,58 2.848,59 3,60 1.035,61 8.59,62 3.744,65 10.194,66 10.194,67 10.194,68 436.944,69 4.431}
{0 CHEMBL317530,7 11.771,13 3141,16 11,17 6.472,20 1,21 12.244,22 4.135,23 2,24 3.472,25 3.472,26 3.472,27 1,28 48.427,29 0.447,32 13,33 2,35 -0.066,36 103.366,37 0.291,40 8.49,42 1.548,43 1.548,44 7.427,45 0.793,46 2,47 9.253,48 1,49 3.34,52 1,53 7.245,54 3.795,55 4.477,57 10.908,58 2.591,59 2,60 0.953,61 8.059,62 3.707,65 9.273,66 9.273,67 9.273,68 293.853,69 5}
{0 CHEMBL317782,7 11.771,13 15168,16 15,17 7.459,20 1,21 12.98,22 4.902,23 2,24 4.459,25 4.459,26 4.459,27 2,28 64.223,29 0.326,32 21,33 4,35 -0.046,36 140.557,37 0.206,40 9.571,42 1.646,43 1.646,44 7.429,45 0.784,46 3,47 9.829,48 1,49 3.835,52 1,53 9.648,54 4.311,55 4.997,57 11.587,58 2.848,59 3,60 0.985,61 8.633,62 3.775,65 10.297,66 10.297,67 10.297,68 473.586,69 4.489}
{0 CHEMBL317796,7 11.771,8 1,13 13485,16 15,17 7.352,20 1,21 12.924,22 4.844,23 2,24 4.352,25 4.352,26 4.352,27 1,28 65.138,29 0.318,32 20,33 3.556,35 -0.007,36 171.522,37 0.2,40 9.505,41 1,42 1.556,43 1.556,44 7.432,45 0.9,46 3,47 9.891,48 1,49 3.67,50 1,52 1,53 9.519,54 4.297,55 4.984,57 11.54,58 2.848,59 4,60 1.02,61 8.686,62 3.773,65 9.437,66 9.437,67 9.437,68 445.125,69 5.129}
{0 CHEMBL318035,7 11.771,9 1,13 13004,16 15,17 7.024,20 1,21 12.73,22 4.62,23 2,24 4.024,25 4.024,26 4.024,27 2,28 60.734,29 0.32,32 19,33 3.333,35 -0.061,36 119.84,37 0.201,40 9.05,42 1.526,43 1.526,44 7.43,45 0.96,46 3,47 9.737,48 1,49 3.661,52 1,53 8.448,54 4.119,55 4.804,57 11.356,58 2.848,59 3,60 0.916,61 8.53,62 3.738,65 10.196,66 10.196,67 10.196,68 412.944,69 5.562}
{0 CHEMBL318295,7 11.771,9 1,13 13004,16 15,17 7.43,20 1,21 12.853,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 2,28 64.702,29 0.32,32 19,33 3.333,35 -0.12,36 133.617,37 0.201,38 1,39 1,40 9.476,41 1,42 1.625,43 1.625,44 7.43,45 0.88,46 3,47 9.696,48 1,49 3.659,52 1,53 9.493,54 4.241,55 4.927,57 11.464,58 2.848,59 3,60 1.006,61 8.499,62 3.738,65 10.196,66 10.196,67 10.196,68 452.408,69 5.415}
{0 CHEMBL318312,7 11.771,9 1,13 13004,16 15,17 7.43,20 1,21 12.853,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 1,28 56.846,29 0.32,32 19,33 3.333,35 0.013,36 116.455,37 0.201,40 9.476,42 1.63,43 1.63,44 7.429,45 0.932,46 3,47 9.708,48 1,49 3.719,52 1,53 9.493,54 4.241,55 4.927,57 11.464,58 2.848,59 3,60 1.012,61 8.504,62 3.815,65 10.196,66 10.196,67 10.196,68 420.546,69 5.759}
{0 CHEMBL318386,7 11.771,9 1,13 13004,16 15,17 7.43,20 1,21 12.853,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 2,28 61.88,29 0.32,32 19,33 3.333,35 -0.053,36 126.821,37 0.201,40 9.476,42 1.56,43 1.56,44 7.43,45 0.907,46 3,47 9.737,48 1,49 3.652,52 1,53 9.493,54 4.241,55 4.927,57 11.464,58 2.848,59 3,60 0.988,61 8.53,62 3.738,65 10.196,66 10.196,67 10.196,68 435.944,69 5.742}
{0 CHEMBL318791,7 11.771,13 11835,16 15,17 7.432,20 1,21 12.852,22 4.745,23 2,24 4.432,25 4.432,26 4.432,27 1,28 57.07,29 0.335,32 19,33 3.111,35 -0.008,36 119.622,37 0.213,40 9.476,42 1.528,43 1.528,44 7.429,45 0.916,46 3,47 9.813,48 1,49 3.608,52 1,53 9.463,54 4.227,55 4.913,57 11.461,58 2.848,59 3,60 0.992,61 8.595,62 3.74,65 10.234,66 10.234,67 10.234,68 402.489,69 5.138}
{0 CHEMBL318887,7 11.771,8 1,13 13431,16 15,17 7.468,20 1,21 12.962,22 4.844,23 2,24 4.468,25 4.468,26 4.468,27 1,28 64.959,29 0.327,32 20,33 3.556,35 -0.007,36 167.049,37 0.207,40 9.556,41 1,42 1.556,43 1.556,44 7.432,45 0.896,46 3,47 9.974,48 1,49 3.67,50 1,52 1,53 9.552,54 4.297,55 4.984,57 11.565,58 2.848,59 4,60 1.022,61 8.756,62 3.777,65 10.702,66 10.702,67 10.702,68 446.125,69 4.947}
{0 CHEMBL319251,7 18.534,9 1,13 4715,16 11,17 6.448,20 1,21 12.385,22 4.311,23 2,24 3.448,25 3.448,26 3.448,27 1,28 67.084,29 0.406,32 14,33 2.444,35 -0.071,36 140.25,37 0.257,40 8.601,42 1.509,43 1.509,44 7.431,45 0.845,46 2,47 9.427,48 2,49 3.501,52 2,53 7.463,54 3.942,55 4.625,57 11.054,58 3.046,59 3,60 0.964,61 8.229,62 3.752,65 9.262,66 9.262,67 9.262,68 354.972,69 4.66}
{0 CHEMBL319554,7 11.771,9 1,13 54686,16 17,17 7.1,20 1,21 13.198,22 4.966,23 3,24 4.1,25 4.1,26 4.1,27 2,28 60.603,29 0.239,32 31,33 4,35 -0.003,36 125.127,37 0.15,40 9.289,42 1.445,43 1.445,44 7.43,45 0.892,46 5,47 10.681,48 4,49 3.887,52 4,53 9.797,54 4.363,55 5.05,57 11.786,58 2.848,59 3,60 0.796,61 9.404,62 3.786,65 14.506,66 14.506,67 14.506,68 481.944,69 5.554}
{0 CHEMBL321074,7 11.771,9 1,13 11974,16 16,17 6.865,20 1,21 12.681,22 4.543,23 3,24 3.865,25 3.865,26 3.865,27 2,28 60.923,29 0.318,32 19,33 3.333,35 -0.059,36 119.308,37 0.2,40 8.922,42 1.508,43 1.508,44 7.43,45 0.858,46 3,47 9.737,48 2,49 3.691,52 2,53 8.431,54 4.119,55 4.804,57 11.32,58 2.848,59 3,60 0.896,61 8.541,62 3.738,65 10.182,66 10.182,67 10.182,68 413.944,69 5.827}
{0 CHEMBL321546,7 11.771,9 1,13 13056,16 15,17 6.916,20 1,21 12.69,22 4.62,23 2,24 3.916,25 3.916,26 3.916,27 2,28 60.821,29 0.311,32 19,33 3.111,35 -0.061,36 118.654,37 0.194,40 9,42 1.526,43 1.526,44 7.43,45 0.976,46 3,47 9.674,48 1,49 3.661,52 1,53 8.399,54 4.119,55 4.804,57 11.329,58 2.848,59 3,60 0.922,61 8.472,62 3.737,65 9.262,66 9.262,67 9.262,68 411.944,69 5.636}
{0 CHEMBL322183,7 11.771,9 1,13 15361,16 17,17 6.677,20 1,21 12.716,22 4.62,23 3,24 3.677,25 3.677,26 3.677,27 2,28 61.052,29 0.287,32 19,33 2.889,35 -0.045,36 126.096,37 0.176,40 9.117,42 1.52,43 1.52,44 7.43,45 0.888,46 3,47 9.596,48 1,49 3.735,52 1,53 9.394,54 4.277,55 4.963,57 11.378,58 2.848,59 3,60 1.001,61 8.388,62 3.737,65 9.262,66 9.262,67 9.262,68 452.944,69 5.356}
{0 CHEMBL322631,7 11.771,9 1,13 13004,16 15,17 7.43,20 1,21 12.853,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 1,28 58.472,29 0.32,32 19,33 3.333,35 -0.039,36 124.208,37 0.201,40 9.476,42 1.572,43 1.572,44 7.43,45 0.909,46 3,47 9.77,48 1,49 3.646,52 1,53 9.493,54 4.241,55 4.927,57 11.464,58 2.848,59 3,60 0.981,61 8.558,62 3.735,65 10.196,66 10.196,67 10.196,68 420.179,69 5.879}
{0 CHEMBL323322,7 11.771,9 1,13 12375,16 15,17 7.43,20 1,21 12.87,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 1,28 58.105,29 0.32,32 19,33 3.556,35 -0.04,36 119.433,37 0.201,40 9.481,42 1.594,43 1.594,44 7.429,45 0.937,46 3,47 9.821,48 1,49 3.615,52 1,53 9.463,54 4.227,55 4.913,57 11.476,58 2.848,59 3,60 0.994,61 8.611,62 3.745,65 10.196,66 10.196,67 10.196,68 417.179,69 5.212}
{0 CHEMBL323570,7 11.771,9 1,13 12375,16 15,17 7.43,20 1,21 12.87,22 4.745,23 2,24 4.43,25 4.43,26 4.43,27 2,28 61.426,29 0.32,32 19,33 3.556,35 -0.054,36 120.971,37 0.201,40 9.481,42 1.581,43 1.581,44 7.43,45 0.935,46 3,47 9.789,48 1,49 3.622,52 1,53 9.463,54 4.227,55 4.913,57 11.476,58 2.848,59 3,60 1.003,61 8.584,62 3.747,65 10.196,66 10.196,67 10.196,68 432.944,69 5.678}
{0 CHEMBL327298,5 1,6 1,7 11.771,8 1,9 1,13 16333,16 15,17 7.539,20 0.5,21 13.071,22 4.945,23 2,24 4.539,25 4.539,26 4.539,27 2,28 93.53,29 0.321,32 21,33 4,35 -0.027,36 158.184,37 0.201,40 9.656,41 1,42 1.626,43 1.626,44 7.436,45 0.973,46 3,47 10.037,48 1,49 3.716,51 1,52 1,53 9.876,54 4.337,55 5.024,57 11.661,58 2.848,59 4,60 0.916,61 8.827,62 3.748,65 11.363,66 11.363,67 11.363,68 506.61,69 4.963}
{0 CHEMBL328155,5 1,6 1,7 11.771,8 1,9 1,13 16339,16 15,17 7.425,20 0.5,21 13.036,22 4.945,23 2,24 4.425,25 4.425,26 4.425,27 2,28 94.086,29 0.319,32 21,33 4,35 -0.027,36 166.589,37 0.2,40 9.609,41 1,42 1.626,43 1.626,44 7.436,45 0.949,46 3,47 9.958,48 1,49 3.716,51 1,52 1,53 9.873,54 4.337,55 5.024,57 11.638,58 2.848,59 4,60 0.91,61 8.762,62 3.747,65 10.219,66 10.219,67 10.219,68 505.61,69 4.77}
{0 CHEMBL328412,5 2,6 2,7 11.771,13 5535,16 5,17 5.365,21 12.791,22 4.796,23 1,24 3.365,25 3.365,26 3.365,27 2,28 162.584,29 0.6,30 0.332,31 0.46,32 16,33 4.444,35 -0.159,36 333.711,37 0.384,40 8.676,41 2,42 1.739,43 1.739,44 7.473,45 0.906,46 1,47 9.872,48 1,49 3.757,51 1,52 1,53 7.006,54 4.127,55 4.812,57 11.44,58 3.762,59 7,60 1.036,61 8.727,62 3.839,65 9.754,66 9.754,67 9.754,68 533.039,69 8}
{0 CHEMBL329940,7 11.771,9 1,13 13056,16 15,17 7.336,20 1,21 12.813,22 4.745,23 2,24 4.336,25 4.336,26 4.336,27 1,28 56.772,29 0.311,32 19,33 3.111,35 0.013,36 117.634,37 0.194,40 9.423,42 1.63,43 1.63,44 7.429,45 0.89,46 3,47 9.655,48 1,49 3.719,52 1,53 9.46,54 4.241,55 4.927,57 11.438,58 2.848,59 3,60 1.015,61 8.454,62 3.814,65 9.262,66 9.262,67 9.262,68 419.546,69 5.599}
{0 CHEMBL352426,8 1,13 15254,16 12,17 6.677,21 13.054,22 4.956,23 2,24 3.677,25 3.677,26 3.677,27 2,28 118.858,29 0.373,30 0.139,31 0.283,32 20,33 5.111,35 -0.021,36 234.208,37 0.231,40 9.329,42 1.593,43 1.593,44 7.472,45 0.929,46 2,47 10.04,48 1,49 4.004,51 1,52 1,53 8.691,54 4.533,55 5.22,57 11.705,58 3.59,59 7,60 1.007,61 8.848,62 3.823,65 9.67,66 9.67,67 9.67,68 613.402,69 8.076}
{0 CHEMBL352554,7 14.96,9 4,13 20686,16 12,17 6.986,21 13.138,22 5.075,23 2,24 3.986,25 3.986,26 3.986,27 2,28 105.139,29 0.379,30 0.313,31 0.417,32 20,33 5.333,35 -0.068,36 192.627,37 0.236,40 9.562,42 1.774,43 1.774,44 7.475,45 1.042,46 2,47 9.884,48 1,49 4.088,52 1,53 9.447,54 4.522,55 5.209,57 11.763,58 3.476,59 5,60 1.107,61 8.706,62 3.83,65 9.639,66 9.639,67 9.639,68 656.178,69 5.77}
{0 CHEMBL353919,9 2,13 11460,16 12,17 6.919,20 0.5,21 12.794,22 4.732,23 2,24 3.919,25 3.919,26 3.919,27 2,28 72.773,29 0.387,30 0.041,31 0.242,32 17,33 3.778,35 -0.055,36 109.848,37 0.242,40 9.077,42 1.554,43 1.554,44 7.435,45 1.068,46 2,47 9.742,48 2,49 3.9,52 2,53 8.186,54 4.241,55 4.927,57 11.438,58 3.174,59 4,60 1.004,61 8.549,62 3.823,65 9.634,66 9.634,67 9.634,68 463.982,69 5}
{0 CHEMBL354345,9 2,13 7672,16 12,17 6.48,20 0.5,21 12.659,22 4.543,23 2,24 3.48,25 3.48,26 3.48,27 1,28 60.902,29 0.387,32 15,33 2.889,35 0.027,36 107.985,37 0.243,40 9.038,42 1.582,43 1.582,44 7.435,45 0.966,46 2,47 9.571,48 1,49 3.767,52 1,53 8.353,54 4.248,55 4.934,57 11.324,58 3.174,59 4,60 1.112,61 8.364,62 3.826,65 9.622,66 9.622,67 9.622,68 415.891,69 5.077}
{0 CHEMBL354612,9 2,13 6718,16 6,17 6.919,20 0.5,21 12.754,22 4.732,23 1,24 3.919,25 3.919,26 3.919,27 2,28 76.457,29 0.57,30 0.041,31 0.242,32 14,33 3.778,35 -0.088,36 114.822,37 0.36,40 9.051,42 1.589,43 1.589,44 7.435,45 1.083,46 1,47 9.663,48 2,49 3.808,52 2,53 7.928,54 4.167,55 4.852,57 11.395,58 3.174,59 4,60 1.125,61 8.501,62 3.823,65 9.634,66 9.634,67 9.634,68 441.982,69 5.745}
{0 CHEMBL357191,6 1,7 2.717,8 2,9 4,12 1,13 26684,16 17,17 6.995,21 13.144,22 5.047,23 3,24 3.995,25 3.995,26 3.995,27 3,28 82.402,29 0.282,32 22,33 4.444,35 0.035,36 178.301,37 0.172,40 9.683,42 1.796,43 1.796,44 7.472,45 0.935,46 3,47 9.772,49 4.028,53 10.472,54 4.535,55 5.223,57 11.761,58 2.801,59 4,60 0.961,61 8.58,62 3.754,65 9.568,66 9.568,67 9.568,68 572.346,69 6.721}
{0 CHEMBL358725,8 2,9 1,10 1,11 1,13 10614,14 1,15 1,16 12,17 7.709,18 5.807,20 0.5,21 13.354,22 5.207,23 2,24 4.709,25 4.709,26 4.709,27 3,28 143.41,29 0.378,32 18,33 4.444,34 0.293,35 -0.045,36 277.029,37 0.233,38 1,39 1,40 9.969,41 1,42 1.88,43 1.88,44 7.478,45 0.972,46 2,47 9.917,49 3.842,53 9.425,54 4.382,55 5.069,57 11.888,58 2.243,59 6,60 0.937,61 8.732,62 3.651,65 12.443,66 12.443,67 12.443,68 525.704,69 6.886}
{0 CHEMBL359479,9 2,13 4899,16 9,17 6.691,20 0.5,21 12.96,22 4.705,23 2,24 3.691,25 3.691,26 3.691,27 1,28 73.481,29 0.403,32 17,33 3.889,35 0.043,36 143.369,37 0.255,40 8.98,42 1.645,43 1.645,44 7.435,45 0.888,46 2,47 10.304,48 1,49 3.7,51 1,52 2,53 7.492,54 4.103,55 4.787,57 11.545,58 3.174,59 4,60 1.078,61 9.078,62 4.135,65 13.239,66 13.239,67 13.239,68 398.921,69 5.293}
{0 CHEMBL359542,1 1,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 4,11 1,13 9992,16 12,17 6.655,19 1,21 12.762,22 4.527,23 2,24 3.655,25 3.655,26 3.655,27 5,28 68.907,29 0.397,30 0.267,31 0.296,32 15,33 3.556,34 2.786,35 -0.177,36 114.041,37 0.25,40 9.009,41 1,42 1.707,43 1.707,44 7.434,45 1.064,46 2,47 9.636,49 3.823,51 1,53 8.497,54 4.212,55 4.898,57 11.397,58 3.015,59 4,60 1.041,61 8.438,62 3.899,65 10.832,66 10.832,67 10.832,68 469.322,69 8}
{0 CHEMBL359598,1 1,2 1,3 2,4 2,5 1,6 1,7 47.084,8 4,9 3,11 2,12 1,13 15703,16 11,17 6.514,19 1,21 12.912,22 4.718,23 2,24 3.818,25 3.818,26 3.818,27 7,28 71.098,29 0.376,30 0.207,31 0.359,32 17,33 4.667,34 2.742,35 -0.297,36 134.538,37 0.233,38 2,39 2,40 9.162,41 5,42 1.639,43 1.639,44 7.434,45 0.97,46 2,47 9.777,49 3.909,51 1,53 8.897,54 4.307,55 4.994,56 2,57 11.538,58 3.033,59 4,60 0.939,61 8.592,62 3.794,64 1,65 10.833,66 10.833,67 10.833,68 565.884,69 9.854}
{0 CHEMBL359643,1 1,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 4,11 1,13 11017,16 12,17 6.655,19 1,21 12.765,22 4.527,23 2,24 3.655,25 3.655,26 3.655,27 4,28 68.953,29 0.392,30 0.267,31 0.296,32 15,33 3.556,34 2.816,35 -0.171,36 115.398,37 0.245,40 9.011,41 3,42 1.685,43 1.685,44 7.434,45 1.014,46 2,47 9.64,49 3.848,51 1,53 8.564,54 4.227,55 4.913,57 11.401,58 3.015,59 4,60 1.023,61 8.438,62 3.899,65 10.832,66 10.832,67 10.832,68 473.322,69 8.012}
{0 CHEMBL360020,1 1,2 1,3 1,4 2,5 1,6 1,7 26.299,8 4,9 4,11 1,13 22120,16 17,17 6.964,19 1,21 13.074,22 4.89,23 3,24 3.964,25 3.964,26 3.964,27 6,28 62.942,29 0.299,30 0.07,31 0.267,32 21,33 4.444,34 2.828,35 -0.133,36 112.188,37 0.186,38 1,39 1,40 9.466,41 3,42 1.69,43 1.69,44 7.434,45 1.077,46 3,47 9.863,49 3.957,51 1,53 9.737,54 4.463,55 5.15,56 1,57 11.694,58 3.015,59 4,60 1.054,61 8.676,62 3.899,65 10.832,66 10.832,67 10.832,68 562.761,69 8}
{0 CHEMBL360046,8 1,9 2,13 12879,16 12,17 7.018,21 13.054,22 4.934,23 2,24 4.018,25 4.018,26 4.018,27 2,28 84.898,29 0.396,30 0.195,31 0.385,32 19,33 4.889,35 0.009,36 159.772,37 0.248,40 9.433,41 1,42 1.62,43 1.62,44 7.437,45 1.022,46 2,47 10.019,48 1,49 3.931,50 1,51 1,52 1,53 8.964,54 4.431,55 5.118,57 11.677,58 3.27,59 5,60 1.061,61 8.832,62 3.889,65 10.459,66 10.459,67 10.459,68 536.345,69 6.538}
{0 CHEMBL360292,6 1,9 2,13 8420,16 12,17 6.622,20 0.5,21 12.777,22 4.605,23 2,24 3.622,25 3.622,26 3.622,27 2,28 69.197,29 0.397,31 0.091,32 16,33 3.778,35 -0.011,36 115.362,37 0.25,40 9.114,42 1.593,43 1.593,44 7.435,45 0.978,46 2,47 9.744,48 1,49 3.83,52 1,53 8.402,54 4.29,55 4.977,57 11.425,58 3.27,59 4,60 1.076,61 8.542,62 3.897,65 10.038,66 10.038,67 10.038,68 451.527,69 5}
{0 CHEMBL360355,1 1,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 1,11 1,13 7145,16 11,17 6.514,19 1,20 0.5,21 12.759,22 4.543,23 2,24 3.818,25 3.818,26 3.818,27 7,28 77.324,29 0.422,32 15,33 3.556,34 3.036,35 -0.249,36 134.2,37 0.269,38 2,39 2,40 9.056,41 5,42 1.805,43 1.805,44 7.451,45 1.045,46 2,47 9.567,49 3.593,51 1,53 8.482,54 4.099,55 4.783,56 2,57 11.375,58 2.619,59 4,60 0.952,61 8.393,62 3.652,64 1,65 10.828,66 10.828,67 10.828,68 486.088,69 9}
{0 CHEMBL360690,9 2,13 11864,16 12,17 6.974,21 12.971,22 4.844,23 2,24 3.974,25 3.974,26 3.974,27 2,28 83.262,29 0.396,30 0.195,31 0.385,32 18,33 4.444,35 -0.027,36 143.085,37 0.248,40 9.356,42 1.623,43 1.623,44 7.435,45 1.036,46 2,47 9.882,48 1,49 3.917,51 1,52 1,53 8.814,54 4.382,55 5.069,57 11.599,58 3.27,59 4,60 1.046,61 8.691,62 3.888,65 10.427,66 10.427,67 10.427,68 523.254,69 6.264}
{0 CHEMBL360788,1 1,2 1,3 2,4 2,5 1,6 1,7 47.084,8 4,9 4,11 2,12 1,13 40465,16 21,17 6.818,19 1,21 13.151,22 4.934,23 3,24 3.818,25 3.818,26 3.818,27 7,28 69.287,29 0.248,30 0.237,31 0.368,32 25,33 5.111,34 2.743,35 -0.203,36 138.399,37 0.154,38 2,39 2,40 9.52,41 5,42 1.684,43 1.684,44 7.434,45 1.06,46 4,47 10.028,49 3.977,51 1,53 10.344,54 4.519,55 5.207,56 2,57 11.767,58 3.033,59 4,60 0.95,61 8.825,62 3.794,64 1,65 10.833,66 10.833,67 10.833,68 640.236,69 10.081}
{0 CHEMBL360880,9 2,13 21863,16 17,17 7.066,21 13.115,22 4.997,23 3,24 4.066,25 4.066,26 4.066,27 3,28 75.884,29 0.301,31 0.122,32 22,33 4.444,35 -0.039,36 125.988,37 0.187,38 2,39 2,40 9.61,41 3,42 1.675,43 1.675,44 7.435,45 0.986,46 3,47 9.951,48 1,49 4.001,52 1,53 10.005,54 4.546,55 5.234,56 1,57 11.743,58 3.174,59 4,60 1.157,61 8.756,62 3.827,64 1,65 9.676,66 9.676,67 9.676,68 612.276,69 7.013}
{0 CHEMBL360915,1 1,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 3,11 1,13 19828,16 17,17 6.708,19 1,21 12.983,22 4.783,23 3,24 3.708,25 3.708,26 3.708,27 5,28 68.845,29 0.3,30 0.07,31 0.267,32 20,33 4,34 2.767,35 -0.158,36 125.365,37 0.187,38 2,39 2,40 9.349,41 6,42 1.759,43 1.759,44 7.434,45 1.054,46 3,47 9.767,49 3.941,51 1,53 9.596,54 4.428,55 5.115,56 1,57 11.615,58 3.015,59 4,60 1.075,61 8.575,62 3.899,64 1,65 10.832,66 10.832,67 10.832,68 589.435,69 8}
{0 CHEMBL360956,1 1,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 3,11 1,13 18219,16 17,17 6.717,19 1,21 12.98,22 4.783,23 3,24 3.717,25 3.717,26 3.717,27 8,28 68.294,29 0.307,30 0.07,31 0.296,32 20,33 4,34 2.723,35 -0.163,36 124.902,37 0.192,38 2,39 2,40 9.347,41 3,42 1.781,43 1.781,44 7.434,45 1.078,46 3,47 9.761,49 3.918,51 1,53 9.57,54 4.416,55 5.103,56 1,57 11.611,58 3.015,59 4,60 1.088,61 8.572,62 3.899,64 1,65 10.833,66 10.833,67 10.833,68 585.435,69 8.33}
{0 CHEMBL361111,9 2,13 22427,16 17,17 7.091,21 13.183,22 5.037,23 3,24 4.091,25 4.091,26 4.091,27 3,28 85.806,29 0.308,30 0.024,31 0.195,32 23,33 5.111,35 -0.023,36 155.26,37 0.192,38 2,39 2,40 9.649,41 3,42 1.697,43 1.697,44 7.435,45 0.989,46 3,47 10.066,48 1,49 4.025,51 1,52 1,53 10.021,54 4.567,55 5.255,56 1,57 11.801,58 3.27,59 4,60 1.051,61 8.872,62 3.888,64 1,65 10.491,66 10.491,67 10.491,68 637.549,69 7.201}
{0 CHEMBL361397,9 2,13 11782,16 12,17 6.971,20 0.5,21 12.979,22 4.844,23 2,24 3.971,25 3.971,26 3.971,27 1,28 71.306,29 0.404,31 0.122,32 18,33 4.444,34 1.615,35 -0.006,36 124.87,37 0.255,40 9.357,42 1.643,43 1.643,44 7.435,45 0.903,46 2,47 9.937,48 2,49 4.025,52 2,53 8.793,54 4.407,55 5.094,57 11.61,58 3.174,59 4,60 1.097,61 8.726,62 3.869,65 10.751,66 10.751,67 10.751,68 507.17,69 5.655}
{0 CHEMBL361613,1 1,2 1,3 1,4 2,5 1,6 1,7 36.672,8 4,9 3,11 1,13 16083,16 17,17 6.659,19 1,20 0.5,21 12.911,22 4.663,23 3,24 3.659,25 3.659,26 3.659,27 3,28 58.42,29 0.309,30 0.07,31 0.296,32 19,33 3.778,34 2.838,35 -0.074,36 109.969,37 0.194,40 9.254,41 1,42 1.745,43 1.745,44 7.434,45 0.983,46 3,47 9.686,49 3.937,51 1,53 9.428,54 4.379,55 5.066,57 11.546,58 3.015,59 4,60 1.039,61 8.49,62 3.899,65 10.833,66 10.833,67 10.833,68 512.995,69 9.092}
{0 CHEMBL361825,1 1,2 1,3 2,4 1,5 1,6 1,7 35.313,8 4,9 3,11 2,12 1,13 19217,16 11,17 6.579,19 1,21 13.224,22 4.997,23 2,24 3.874,25 3.874,26 3.874,27 7,28 71.968,29 0.397,30 0.268,31 0.359,32 21,33 5.556,34 1.538,35 -0.256,36 142.52,37 0.249,38 2,39 2,40 9.387,41 5,42 1.58,43 1.58,44 7.434,45 0.879,46 2,47 10.352,49 3.999,51 1,53 9.037,54 4.422,55 5.109,56 2,57 11.817,58 3.033,59 4,60 0.926,61 9.154,62 3.808,64 1,65 11.835,66 11.835,67 11.835,68 602.236,69 10.377}
{0 CHEMBL361983,1 1,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 3,11 1,13 21518,16 17,17 6.707,19 1,21 12.985,22 4.783,23 3,24 3.707,25 3.707,26 3.707,27 3,28 69.113,29 0.293,30 0.07,31 0.267,32 20,33 4,34 2.799,35 -0.153,36 124.396,37 0.182,38 2,39 2,40 9.351,41 3,42 1.738,43 1.738,44 7.434,45 1.046,46 3,47 9.772,49 3.963,51 1,53 9.62,54 4.44,55 5.127,56 1,57 11.618,58 3.015,59 4,60 1.052,61 8.575,62 3.899,64 1,65 10.832,66 10.832,67 10.832,68 593.435,69 8.585}
{0 CHEMBL362074,1 1,2 1,3 2,4 1,5 1,6 1,7 35.313,8 4,9 3,11 2,12 1,13 21209,16 11,17 6.601,19 1,21 13.273,22 4.997,23 2,24 3.896,25 3.896,26 3.896,27 7,28 70.734,29 0.404,30 0.268,31 0.359,32 21,33 6.222,34 1.6,35 -0.24,36 133.071,37 0.254,38 2,39 2,40 9.414,41 5,42 1.553,43 1.553,44 7.434,45 1.044,46 2,47 10.482,49 4.041,51 1,53 9.102,54 4.446,55 5.133,56 2,57 11.858,58 3.033,59 4,60 0.893,61 9.263,62 3.812,64 1,65 13.107,66 13.107,67 13.107,68 614.236,69 10.06}
{0 CHEMBL362191,1 1,2 1,3 1,4 2,5 1,6 1,7 35.313,8 4,9 3,11 1,13 16083,16 17,17 6.659,19 1,21 12.911,22 4.663,23 3,24 3.659,25 3.659,26 3.659,27 6,28 63.319,29 0.309,30 0.07,31 0.296,32 19,33 3.778,34 2.754,35 -0.111,36 121.856,37 0.194,38 1,39 1,40 9.254,41 3,42 1.762,43 1.762,44 7.434,45 1.054,46 3,47 9.728,49 3.889,51 1,53 9.428,54 4.379,55 5.066,56 1,57 11.546,58 3.015,59 4,60 1.053,61 8.53,62 3.899,64 1,65 10.833,66 10.833,67 10.833,68 552.709,69 8.287}
{0 CHEMBL362213,1 1,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 4,11 1,13 45051,16 22,17 6.815,19 1,21 13.071,22 4.832,23 3,24 3.815,25 3.815,26 3.815,27 6,28 68.718,29 0.248,30 0.296,31 0.401,32 24,33 4.444,34 2.786,35 -0.125,36 125.284,37 0.154,40 9.434,41 3,42 1.689,43 1.689,44 7.434,45 1.028,46 4,47 9.853,49 4.018,51 1,53 10.645,54 4.511,55 5.198,57 11.7,58 3.015,59 4,60 1.015,61 8.647,62 3.899,65 10.833,66 10.833,67 10.833,68 613.413,69 8.484}
{0 CHEMBL362695,9 2,13 4598,16 6,17 6.445,20 0.5,21 12.596,22 4.527,23 1,24 3.445,25 3.445,26 3.445,27 1,28 75.403,29 0.566,32 13,33 3.778,35 0.011,36 152.607,37 0.358,40 8.759,42 1.602,43 1.602,44 7.435,45 0.889,46 1,47 9.626,48 2,49 3.708,51 1,52 2,53 7.455,54 4.069,55 4.754,57 11.252,58 3.174,59 4,60 1.005,61 8.466,62 3.852,65 9.703,66 9.703,67 9.703,68 384.164,69 5}
{0 CHEMBL366927,1 1,2 1,3 1,4 1,5 1,6 1,7 11.771,8 4,9 3,11 1,12 1,13 16761,16 11,17 6.579,19 1,21 13.221,22 4.997,23 2,24 3.874,25 3.874,26 3.874,27 9,28 70.475,29 0.415,30 0.224,31 0.268,32 21,33 5.333,34 1.544,35 -0.236,36 137.757,37 0.263,38 2,39 2,40 9.385,41 6,42 1.579,43 1.579,44 7.434,45 0.902,46 2,47 10.355,49 3.95,51 1,53 8.977,54 4.398,55 5.085,56 2,57 11.812,58 3.033,59 4,60 0.937,61 9.158,62 3.816,64 1,65 11.835,66 11.835,67 11.835,68 585.11,69 10.886}
{0 CHEMBL367356,1 1,2 1,3 2,4 2,5 1,6 1,7 47.084,8 4,9 4,11 2,12 1,13 36589,16 20,17 6.837,19 1,21 13.156,22 4.934,23 3,24 3.837,25 3.837,26 3.837,27 7,28 69.07,29 0.251,30 0.359,31 0.368,32 25,33 4.889,34 2.738,35 -0.21,36 140.272,37 0.156,38 2,39 2,40 9.523,41 5,42 1.702,43 1.702,44 7.434,45 0.997,46 4,47 10.04,49 3.955,51 1,53 10.266,54 4.508,55 5.196,56 2,57 11.769,58 3.033,59 4,60 0.975,61 8.842,62 3.794,63 1,64 1,65 10.833,66 10.833,67 10.833,68 636.236,69 9.886}
{0 CHEMBL367365,9 2,13 12714,16 15,17 6.984,20 0.5,21 13.062,22 4.934,23 3,24 3.984,25 3.984,26 3.984,27 1,28 69.972,29 0.32,31 0.122,32 22,33 4.056,35 0.012,36 115.441,37 0.202,40 9.393,42 1.643,43 1.643,44 7.435,45 0.919,46 3,47 10.14,48 3,49 4.043,52 3,53 8.813,54 4.431,55 5.118,57 11.687,58 3.174,59 4,60 1.079,61 8.926,62 3.888,65 11.513,66 11.513,67 11.513,68 514.17,69 5}
{0 CHEMBL369290,1 1,2 1,3 2,4 1,5 1,6 1,7 35.313,8 4,9 3,11 2,12 1,13 17413,16 11,17 6.526,19 1,21 13.001,22 4.82,23 2,24 3.823,25 3.823,26 3.823,27 7,28 69.683,29 0.387,30 0.268,31 0.359,32 18,33 4.667,34 1.51,35 -0.275,36 129.402,37 0.241,38 2,39 2,40 9.254,41 5,42 1.608,43 1.608,44 7.434,45 0.957,46 2,47 9.843,49 3.955,51 1,53 8.969,54 4.36,55 5.047,56 2,57 11.621,58 3.033,59 4,60 0.938,61 8.66,62 3.799,64 1,65 10.929,66 10.929,67 10.929,68 584.236,69 9.222}
{0 CHEMBL370012,1 1,7 8.692,8 2,9 3,10 1,12 1,13 57424,14 1,15 1,16 25,17 7.778,18 5.807,20 1,21 13.584,22 5.278,23 4,24 4.778,25 4.778,26 4.778,27 7,28 65.08,29 0.242,32 29,33 4.889,35 -0.187,36 150.765,37 0.152,38 1,39 1,40 10.152,41 4,42 1.813,43 1.813,44 7.715,45 1.088,46 5,47 10.402,49 3.964,50 1,53 11.411,54 4.57,55 5.257,57 12.099,58 0.325,59 4,60 0.747,61 9.149,62 3.98,63 1,65 13.939,66 13.939,67 13.939,68 586.432,69 7.77}
{0 CHEMBL371687,1 1,7 8.692,8 2,9 3,10 1,12 1,13 57424,14 1,15 1,16 25,17 7.778,18 5.807,20 1,21 13.585,22 5.278,23 4,24 4.778,25 4.778,26 4.778,27 7,28 64.076,29 0.243,32 29,33 4.667,35 -0.187,36 143.551,37 0.153,38 1,39 1,40 10.153,41 3,42 1.813,43 1.813,44 7.715,45 1.165,46 5,47 10.396,49 3.964,50 1,53 11.421,54 4.57,55 5.257,57 12.099,58 0.325,59 4,60 0.763,61 9.142,62 3.98,63 1,65 13.939,66 13.939,67 13.939,68 588.784,69 7.644}
{0 CHEMBL371709,1 1,8 2,9 2,10 1,12 1,13 20462,14 1,15 1,16 19,17 7.778,18 5.807,20 1,21 13.459,22 5.13,23 3,24 4.778,25 4.778,26 4.778,27 6,28 52.736,29 0.299,32 24,33 4.444,35 -0.253,36 115.111,37 0.191,40 10.001,41 3,42 1.728,43 1.728,44 7.497,45 1.213,46 4,47 10.317,49 3.774,50 1,53 9.84,54 4.331,55 5.017,57 11.956,58 0.325,59 4,60 0.758,61 9.069,62 3.967,63 1,65 13.939,66 13.939,67 13.939,68 453.282,69 6.441}
{0 CHEMBL371879,1 1,8 2,9 2,10 1,12 1,13 22193,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.452,22 5.13,23 3,24 4.776,25 4.776,26 4.776,27 7,28 57.851,29 0.304,32 24,33 4.667,35 -0.299,36 127.687,37 0.195,38 1,39 1,40 9.998,41 3,42 1.772,43 1.772,44 7.497,45 1.306,46 4,47 10.293,49 3.806,50 1,53 9.863,54 4.344,55 5.03,57 11.95,58 0.325,59 4,60 0.711,61 9.052,62 3.967,63 1,65 13.924,66 13.924,67 13.924,68 471.395,69 7.023}
{0 CHEMBL372322,1 1,8 2,9 3,10 1,12 1,13 68346,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.585,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 8,28 62.586,29 0.241,32 29,33 5.111,35 -0.246,36 124.958,37 0.152,38 1,39 1,40 10.155,41 3,42 1.692,43 1.692,44 7.497,45 1.231,46 5,47 10.399,49 4.01,50 1,53 11.538,54 4.59,55 5.278,57 12.102,58 0.325,59 4,60 0.735,61 9.15,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 585.292,69 7.821}
{0 CHEMBL372607,1 1,7 14.96,8 2,9 3,10 1,12 1,13 61487,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.578,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 6,28 56.685,29 0.245,32 29,33 5.111,35 -0.145,36 148.622,37 0.155,40 10.149,41 3,42 1.722,43 1.722,44 7.715,45 1.174,46 5,47 10.395,49 3.981,50 1,53 11.431,54 4.58,55 5.268,57 12.094,58 0.325,59 4,60 0.747,61 9.141,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 573.968,69 7.671}
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{0 CHEMBL373012,1 1,7 8.692,8 2,9 3,10 1,12 1,13 61487,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.579,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 6,28 64.036,29 0.246,32 29,33 4.889,35 -0.182,36 149.261,37 0.156,38 1,39 1,40 10.151,41 4,42 1.788,43 1.788,44 7.715,45 1.209,46 5,47 10.389,49 3.986,50 1,53 11.44,54 4.58,55 5.268,57 12.094,58 0.325,59 4,60 0.708,61 9.138,62 3.98,63 1,65 13.925,66 13.925,67 13.925,68 590.432,69 7.237}
{0 CHEMBL376112,1 1,8 2,9 3,10 1,12 1,13 61487,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.578,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 6,28 53.931,29 0.245,32 29,33 5.111,35 -0.181,36 123.244,37 0.155,40 10.149,41 3,42 1.722,43 1.722,44 7.497,45 1.12,46 5,47 10.384,49 4.072,50 1,53 11.431,54 4.58,55 5.268,57 12.094,58 0.325,59 4,60 0.711,61 9.127,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 554.368,69 7.458}
{0 CHEMBL376760,8 3,9 2,10 1,12 1,13 30070,14 1,15 1,16 20,17 7.777,18 5.807,20 1,21 13.565,22 5.165,23 3,24 4.777,25 4.777,26 4.777,28 61.403,29 0.299,32 24,33 4.444,35 -0.128,36 149.722,37 0.192,40 10.099,41 3,42 1.754,43 1.754,44 7.429,45 1.242,46 4,47 10.297,49 3.859,53 10.645,54 4.454,55 5.142,57 12.074,59 3,60 0.714,61 9.048,62 4.261,63 1,65 13.924,66 13.924,67 13.924,68 506.547,69 5.8}
{0 CHEMBL382084,1 1,8 2,9 3,10 1,12 1,13 63891,14 1,15 1,16 25,17 7.778,18 5.807,20 1,21 13.592,22 5.278,23 4,24 4.778,25 4.778,26 4.778,27 6,28 53.096,29 0.238,32 29,33 4.889,35 -0.159,36 108.098,37 0.149,40 10.158,41 3,42 1.682,43 1.682,44 7.497,45 1.106,46 5,47 10.414,49 4.033,50 1,53 11.519,54 4.58,55 5.268,57 12.107,58 0.325,59 4,60 0.763,61 9.159,62 4.327,63 1,65 13.939,66 13.939,67 13.939,68 554.349,69 7.573}
{0 CHEMBL382481,8 3,9 1,13 3626,16 10,17 7.156,20 1,21 12.638,22 4.494,23 1,24 4.156,25 4.156,26 4.156,28 50.89,29 0.486,32 13,33 2.444,35 -0.02,36 113.814,37 0.32,40 9.1,41 1,42 1.895,43 1.895,44 7.429,45 1.038,46 2,47 9.685,49 3.248,50 1,53 7.934,54 3.861,55 4.543,57 11.222,58 1.593,59 4,60 0.992,61 8.46,62 3.594,65 10.947,66 10.947,67 10.947,68 322.484,69 6.857}
{0 CHEMBL384023,1 1,8 2,9 3,10 1,12 1,13 61487,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.578,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 6,28 53.485,29 0.245,32 29,33 5.111,35 -0.173,36 120.385,37 0.155,40 10.149,41 3,42 1.722,43 1.722,44 7.497,45 0.92,46 5,47 10.38,49 4.136,50 1,53 11.431,54 4.58,55 5.268,57 12.094,58 0.325,59 4,60 0.707,61 9.122,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 551.944,69 7.664}
{0 CHEMBL385930,1 1,8 2,9 5,10 1,12 1,13 83232,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.589,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 7,28 60.891,29 0.231,32 29,33 5.111,35 -0.196,36 120.304,37 0.145,40 10.157,41 3,42 1.707,43 1.707,44 7.497,45 1.051,46 5,47 10.405,49 4.138,50 1,53 11.723,54 4.61,55 5.298,57 12.107,58 0.325,59 4,60 0.742,61 9.152,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 590.955,69 7.377}
{0 CHEMBL386510,1 1,8 2,9 5,10 1,12 1,13 232733,14 2,15 2,16 32,17 7.776,18 13.557,20 0.5,21 13.961,22 5.687,23 5,24 4.776,25 4.776,26 4.776,27 7,28 114.741,29 0.176,32 37,33 7.111,35 -0.186,36 188.994,37 0.106,40 10.577,41 3,42 1.662,43 1.662,44 7.713,45 1.199,46 6,47 10.649,49 4.36,50 1,53 13.414,54 4.898,55 5.587,57 12.466,58 0.325,59 6,60 0.714,61 9.411,62 4.731,63 1,65 13.925,66 13.925,67 13.925,68 773.294,69 7.293}
{0 CHEMBL387041,1 1,7 11.771,8 2,9 3,10 1,12 1,13 51264,14 1,15 1,16 20,17 7.776,20 1,21 13.791,22 5.44,23 3,24 4.776,25 4.776,26 4.776,27 7,28 70.797,29 0.27,32 31,33 6.889,35 -0.131,36 135.34,37 0.169,40 10.158,41 3,42 1.642,43 1.642,44 7.497,45 0.854,46 4,47 11.092,49 4.12,50 1,52 1,53 10.721,54 4.543,55 5.231,57 12.285,58 0.325,59 4,60 0.732,61 9.817,62 3.979,63 1,65 14.438,66 14.438,67 14.438,68 530.898,69 7.156}
{0 CHEMBL387556,1 1,8 3,9 3,10 1,12 1,13 73511,14 1,15 1,16 26,17 7.778,18 5.807,20 1,21 13.72,22 5.338,23 4,24 4.778,25 4.778,26 4.778,27 4,28 58.872,29 0.252,32 30,33 5.333,35 -0.197,36 155.86,37 0.161,38 1,39 1,40 10.259,41 3,42 1.794,43 1.794,44 7.428,45 1.118,46 5,47 10.457,49 4.142,53 11.73,54 4.687,55 5.375,57 12.241,58 0.325,59 3,60 0.705,61 9.199,62 4.265,63 1,65 13.927,66 13.927,67 13.927,68 631.661,69 7.58}
{0 CHEMBL390932,1 1,8 3,9 2,10 1,12 1,13 32435,14 1,15 1,16 20,17 7.778,18 5.807,20 1,21 13.612,22 5.198,23 3,24 4.778,25 4.778,26 4.778,27 3,28 56.878,29 0.301,32 25,33 4.889,35 -0.208,36 154.164,37 0.193,40 10.124,41 3,42 1.73,43 1.73,44 7.428,45 1.232,46 4,47 10.383,49 3.887,53 10.684,54 4.477,55 5.165,57 12.118,58 0.325,59 3,60 0.695,61 9.133,62 4.265,63 1,65 13.926,66 13.926,67 13.926,68 520.463,69 6.105}
{0 CHEMBL392245,1 1,2 1,3 1,4 1,5 1,6 1,7 24.901,8 4,9 1,11 1,13 21407,16 17,17 6.869,19 1,20 0.5,21 13.224,22 4.956,23 3,24 3.869,25 3.869,26 3.869,27 3,28 63.355,29 0.318,32 23,33 4.667,34 1.592,35 -0.084,36 124.011,37 0.201,40 9.462,41 1,42 1.574,43 1.574,44 7.434,45 0.907,46 3,47 10.326,49 3.988,51 1,53 9.57,54 4.497,55 5.185,57 11.826,58 3.015,59 4,60 0.959,61 9.111,62 3.804,65 11.835,66 11.835,67 11.835,68 543.976,69 6.036}
{0 CHEMBL396625,1 1,2 1,3 1,4 1,5 1,6 1,7 11.771,8 4,11 1,13 17072,16 12,17 6.872,19 1,21 13.232,22 5.027,23 2,24 3.872,25 3.872,26 3.872,27 5,28 100.564,29 0.42,30 0.084,31 0.218,32 22,33 5.111,34 1.466,35 -0.116,36 180.734,37 0.267,40 9.352,41 1,42 1.526,43 1.526,44 7.471,45 0.869,46 2,47 10.401,48 1,49 3.944,51 1,52 1,53 8.967,54 4.449,55 5.136,57 11.835,58 3.36,59 5,60 0.892,61 9.2,62 3.811,65 11.838,66 11.838,67 11.838,68 556.524,69 5.457}
{0 CHEMBL41286,5 2,8 3,13 17199,16 14,17 7.454,20 1,21 13.223,22 5.047,23 1,24 4.454,25 4.454,26 4.454,27 4,28 92.394,29 0.418,32 21,33 3.111,35 -0.002,36 138.339,37 0.282,40 9.767,41 4,42 1.497,43 1.497,44 7.44,45 1.054,46 3,47 10.28,49 3.537,50 2,53 10.448,54 4.331,55 5.017,57 11.779,58 2.882,59 5,60 1.065,61 9.026,62 3.664,65 12.498,66 12.498,67 12.498,68 513.758,69 4.83}
{0 CHEMBL417149,5 1,6 3,13 4004,17 5.299,21 12.68,22 4.745,24 3.299,25 3.299,26 3.299,27 3,28 175.211,29 1.125,30 0.279,31 0.389,32 12,33 3.778,34 0.214,35 -0.138,36 307.643,37 0.719,40 8.578,41 1,42 1.719,43 1.719,44 7.472,45 0.927,47 9.666,48 1,49 3.753,51 3,52 1,53 6.836,54 4.111,55 4.796,57 11.35,58 3.736,59 8,60 1.039,61 8.526,62 3.783,65 9.661,66 9.661,67 9.661,68 513.16,69 7.144}
{0 CHEMBL418983,7 11.771,9 1,13 53073,16 17,17 6.911,20 1,21 13.115,22 4.868,23 3,24 3.911,25 3.911,26 3.911,27 2,28 61.454,29 0.217,32 30,33 3.778,35 -0.003,36 127.122,37 0.133,40 9.154,42 1.459,43 1.459,44 7.43,45 0.906,46 5,47 10.62,48 4,49 3.862,52 4,53 9.542,54 4.324,55 5.011,57 11.713,58 2.848,59 3,60 0.785,61 9.342,62 3.738,65 14.234,66 14.234,67 14.234,68 470.944,69 5.084}
{0 CHEMBL420458,7 11.771,9 1,13 14227,16 15,17 7.532,20 1,21 12.958,22 4.856,23 2,24 4.532,25 4.532,26 4.532,27 2,28 65.123,29 0.32,32 20,33 3.778,35 -0.051,36 137.933,37 0.201,40 9.592,42 1.67,43 1.67,44 7.43,45 0.876,46 3,47 9.778,48 1,49 3.724,52 1,53 9.572,54 4.284,55 4.97,57 11.557,58 2.848,59 3,60 0.987,61 8.573,62 3.738,65 10.718,66 10.718,67 10.718,68 463.806,69 5.471}
{0 CHEMBL422849,8 2,9 1,10 1,11 1,13 10614,14 1,15 1,16 12,17 7.709,18 5.807,20 0.5,21 13.354,22 5.207,23 2,24 4.709,25 4.709,26 4.709,27 3,28 140.123,29 0.378,32 18,33 4.444,34 0.314,35 0.027,36 272.323,37 0.233,40 9.969,42 1.813,43 1.813,44 7.478,45 0.958,46 2,47 9.943,49 3.836,53 9.425,54 4.382,55 5.069,57 11.888,58 2.243,59 6,60 0.904,61 8.751,62 3.651,65 12.443,66 12.443,67 12.443,68 509.239,69 6.328}
{0 CHEMBL424789,1 1,2 1,3 2,4 2,5 1,6 1,7 47.084,8 4,9 4,11 2,12 1,13 16249,16 16,17 6.514,19 1,21 12.926,22 4.718,23 3,24 3.818,25 3.818,26 3.818,27 7,28 71.515,29 0.312,30 0.207,31 0.359,32 20,33 4.444,34 2.742,35 -0.298,36 138.199,37 0.196,38 2,39 2,40 9.168,41 5,42 1.711,43 1.711,44 7.434,45 0.964,46 3,47 9.795,49 3.854,51 1,53 8.925,54 4.294,55 4.98,56 2,57 11.548,58 3.033,59 4,60 0.944,61 8.618,62 3.794,64 1,65 10.833,66 10.833,67 10.833,68 565.236,69 9.387}
{0 CHEMBL425699,9 2,13 13464,14 1,15 1,16 12,17 7.672,18 6.046,21 13.379,22 5.263,23 2,24 4.672,25 4.672,26 4.672,27 3,28 108.954,29 0.389,30 0.122,31 0.313,32 20,33 4.667,35 -0.014,36 153.368,37 0.243,40 9.922,41 2,42 1.678,43 1.678,44 7.475,45 0.96,46 2,47 9.916,48 1,49 4.072,52 1,53 9.075,54 4.5,55 5.187,57 11.937,58 3.174,59 6,60 1.152,61 8.744,62 4.345,65 11.708,66 11.708,67 11.708,68 545.161,69 9.921}
{0 CHEMBL427283,1 1,8 3,9 3,10 1,12 1,13 73511,14 1,15 1,16 26,17 7.778,18 5.807,20 1,21 13.72,22 5.338,23 4,24 4.778,25 4.778,26 4.778,27 3,28 57.273,29 0.252,32 30,33 5.333,35 -0.135,36 166.832,37 0.161,40 10.259,41 3,42 1.683,43 1.683,44 7.428,45 1.151,46 5,47 10.475,49 4.051,53 11.73,54 4.687,55 5.375,57 12.241,58 0.325,59 3,60 0.724,61 9.219,62 4.265,63 1,65 13.927,66 13.927,67 13.927,68 622.845,69 6.9}
{0 CHEMBL427284,1 1,8 3,9 3,10 1,12 1,13 80694,14 1,15 1,16 26,17 7.778,18 5.807,20 1,21 13.727,22 5.338,23 4,24 4.778,25 4.778,26 4.778,27 5,28 65.059,29 0.249,32 30,33 5.333,35 -0.218,36 153.391,37 0.159,38 1,39 1,40 10.264,41 3,42 1.712,43 1.712,44 7.428,45 1.197,46 5,47 10.475,49 4.08,53 11.819,54 4.696,55 5.384,57 12.248,58 0.325,59 3,60 0.721,61 9.222,62 4.265,63 1,65 13.927,66 13.927,67 13.927,68 648.473,69 7.529}
{0 CHEMBL430648,5 1,6 3,7 11.771,13 5951,16 5,17 5.306,21 12.764,22 4.796,23 1,24 3.306,25 3.306,26 3.306,27 3,28 160.859,29 0.597,30 0.285,31 0.391,32 16,33 4.222,35 -0.15,36 301.913,37 0.382,40 8.643,41 1,42 1.719,43 1.719,44 7.472,45 0.911,46 1,47 9.825,48 1,49 3.784,51 2,52 1,53 7.049,54 4.143,55 4.828,57 11.423,58 3.736,59 7,60 1.046,61 8.68,62 3.806,65 9.726,66 9.726,67 9.726,68 535.039,69 8}
{0 CHEMBL433416,7 11.771,13 12750,16 17,17 6.891,20 1,21 12.754,22 4.62,23 3,24 3.891,25 3.891,26 3.891,27 1,28 56.678,29 0.307,32 19,33 3.111,35 -0.005,36 120.215,37 0.191,40 9.178,42 1.505,43 1.505,44 7.429,45 0.904,46 3,47 9.725,48 1,49 3.665,52 1,53 9.34,54 4.248,55 4.934,57 11.398,58 2.848,59 3,60 1.006,61 8.511,62 3.738,65 9.264,66 9.264,67 9.264,68 419.489,69 5}
{0 CHEMBL433771,1 1,2 1,3 1,4 2,5 1,6 1,7 23.542,8 4,9 3,11 1,13 18219,16 17,17 6.818,19 1,21 13.006,22 4.783,23 3,24 3.818,25 3.818,26 3.818,27 7,28 66.576,29 0.308,30 0.07,31 0.296,32 20,33 4.444,34 2.738,35 -0.09,36 130.154,37 0.193,38 2,39 2,40 9.379,41 5,42 1.781,43 1.781,44 7.434,45 1.054,46 3,47 9.821,49 3.919,51 1,53 9.592,54 4.416,55 5.103,56 2,57 11.63,58 3.015,59 4,60 1.055,61 8.632,62 3.899,64 1,65 10.833,66 10.833,67 10.833,68 589.368,69 9.137}
{0 CHEMBL434147,1 1,2 1,3 2,4 1,5 1,6 1,7 35.313,8 4,9 4,11 2,12 1,13 22127,16 17,17 6.579,19 1,21 13.233,22 4.997,23 3,24 3.874,25 3.874,26 3.874,27 7,28 72.283,29 0.323,30 0.268,31 0.359,32 24,33 5.333,34 1.54,35 -0.245,36 146.061,37 0.205,38 2,39 2,40 9.394,41 5,42 1.624,43 1.624,44 7.434,45 0.888,46 3,47 10.364,49 3.971,51 1,53 9.119,54 4.422,55 5.109,56 2,57 11.826,58 3.033,59 4,60 0.905,61 9.163,62 3.808,64 1,65 11.835,66 11.835,67 11.835,68 605.589,69 9.886}
{0 CHEMBL435284,7 1.358,8 2,9 3,10 1,11 1,13 27629,14 1,15 1,16 17,17 7.709,18 5.807,21 13.552,22 5.4,23 3,24 4.709,25 4.709,26 4.709,27 3,28 140.892,29 0.285,32 24,33 5.778,35 0.031,36 273.659,37 0.175,38 1,39 1,40 10.157,41 1,42 1.983,43 1.983,44 7.478,45 1.006,46 3,47 10.041,49 4.184,51 1,53 10.512,54 4.637,55 5.325,57 12.097,58 2.778,59 6,60 1.015,61 8.862,62 4.348,65 12.443,66 12.443,67 12.443,68 658.59,69 7.046}
{0 CHEMBL436989,1 1,8 3,9 3,10 1,12 1,13 73511,14 1,15 1,16 26,17 7.778,18 5.807,20 1,21 13.72,22 5.338,23 4,24 4.778,25 4.778,26 4.778,27 3,28 55.875,29 0.252,32 30,33 5.333,35 -0.16,36 152.441,37 0.161,40 10.259,41 3,42 1.746,43 1.746,44 7.428,45 1.102,46 5,47 10.462,49 4.138,53 11.73,54 4.687,55 5.375,57 12.241,58 0.325,59 3,60 0.699,61 9.201,62 4.265,63 1,65 13.927,66 13.927,67 13.927,68 617.548,69 7.035}
{0 CHEMBL438969,1 1,8 3,9 2,13 11520,16 16,17 7.156,20 1,21 12.828,22 4.677,23 2,24 4.156,25 4.156,26 4.156,28 44.924,29 0.323,32 18,33 3.333,35 -0.132,36 137.496,37 0.202,40 9.214,41 1,42 1.667,43 1.667,44 7.432,45 1.016,46 3,47 9.865,49 3.51,50 1,53 8.621,54 4.103,55 4.787,57 11.426,58 2.221,59 5,60 0.836,61 8.631,62 3.732,65 10.947,66 10.947,67 10.947,68 406.506,69 7.194}
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{0 CHEMBL475020,1 1,8 2,9 6,10 1,12 1,13 25810,14 2,15 2,16 14,17 7.776,18 13.557,20 0.5,21 13.661,22 5.427,23 2,24 4.776,25 4.776,26 4.776,27 9,28 129.018,29 0.304,32 23,33 4.889,35 -0.326,36 175.31,37 0.187,40 10.212,41 4,42 1.75,43 1.75,44 7.714,45 1.097,46 3,47 10.418,49 4.11,50 1,53 9.235,54 4.401,55 5.088,57 12.143,58 0.325,59 6,60 0.816,61 9.196,62 4.731,63 1,65 13.925,66 13.925,67 13.925,68 533.72,69 4}
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{0 CHEMBL477047,1 1,8 3,9 3,10 1,12 1,13 20685,14 1,15 1,16 20,17 7.773,18 5.807,20 1,21 13.583,22 5.165,23 3,24 4.773,25 4.773,26 4.773,27 3,28 49.923,29 0.326,32 24,33 4.222,35 -0.183,36 146.288,37 0.215,40 10.114,41 3,42 1.712,43 1.712,44 7.428,45 0.967,46 4,47 10.343,49 3.827,53 10.287,54 4.443,55 5.13,57 12.086,58 0.325,59 3,60 0.664,61 9.09,62 4.265,63 1,65 13.637,66 13.637,67 13.637,68 479.008,69 6.231}
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{0 CHEMBL492322,1 1,5 1,6 3,8 2,9 3,10 1,12 1,13 13104,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.411,22 5.121,23 2,24 4.776,25 4.776,26 4.776,27 7,28 100.073,29 0.374,32 21,33 4.667,35 -0.27,36 178.744,37 0.244,40 9.901,41 4,42 1.776,43 1.776,44 7.498,45 1.207,46 3,47 10.291,49 3.771,50 1,53 8.821,54 4.212,55 4.898,57 11.901,58 2.283,59 5,60 0.758,61 9.056,62 3.976,63 1,65 13.925,66 13.925,67 13.925,68 444.574,69 6.889}
{0 CHEMBL492385,1 1,7 14.96,8 2,9 4,10 1,12 1,13 36368,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.541,22 5.239,23 3,24 4.776,25 4.776,26 4.776,27 6,28 87.846,29 0.287,32 26,33 5.556,35 -0.153,36 161.073,37 0.182,40 10.067,41 3,42 1.761,43 1.761,44 7.715,45 1.188,46 4,47 10.418,49 3.934,50 1,53 10.424,54 4.443,55 5.13,57 12.046,58 0.325,59 4,60 0.71,61 9.179,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 513.422,69 8.119}
{0 CHEMBL492518,1 1,8 2,9 4,10 1,12 1,13 43543,14 2,15 2,16 20,17 7.776,18 13.557,20 0.5,21 13.821,22 5.539,23 3,24 4.776,25 4.776,26 4.776,27 6,28 119.063,29 0.254,32 28,33 6.444,35 -0.239,36 191.581,37 0.157,40 10.404,41 6,42 1.718,43 1.718,44 7.713,45 1.148,46 4,47 10.548,49 4.163,50 1,53 10.282,54 4.585,55 5.273,57 12.3,58 0.325,59 6,60 0.663,61 9.319,62 4.731,63 1,65 13.925,66 13.925,67 13.925,68 585.112,69 7.538}
{0 CHEMBL492718,1 1,8 2,9 4,10 1,12 1,13 17734,14 2,15 2,16 14,17 7.776,18 13.557,20 1,21 13.656,22 5.427,23 2,24 4.776,25 4.776,26 4.776,27 9,28 121.12,29 0.346,32 23,33 4.889,35 -0.328,36 177.913,37 0.221,40 10.209,41 4,42 1.809,43 1.809,44 7.714,45 1.13,46 3,47 10.414,49 4.021,50 1,53 9.048,54 4.35,55 5.037,57 12.135,58 0.325,59 6,60 0.811,61 9.196,62 4.731,63 1,65 13.925,66 13.925,67 13.925,68 498.084,69 6.664}
{0 CHEMBL492936,1 1,7 14.96,8 2,9 8,10 1,12 1,13 23958,14 1,15 1,16 14,17 7.776,18 5.807,20 0.5,21 13.387,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 7,28 93.051,29 0.308,32 20,33 4.444,35 -0.263,36 141.399,37 0.191,40 9.887,41 4,42 1.729,43 1.729,44 7.715,45 1.157,46 3,47 10.279,49 3.943,50 1,53 9.098,54 4.256,55 4.942,57 11.877,58 0.325,59 4,60 0.697,61 9.031,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 475.846,69 4.712}
{0 CHEMBL493123,1 1,7 14.96,8 2,9 3,10 1,12 1,13 15898,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.481,22 5.19,23 2,24 4.776,25 4.776,26 4.776,27 6,28 149.951,29 0.361,32 22,33 5.333,35 -0.165,36 264.861,37 0.233,40 9.969,41 3,42 1.957,43 1.957,44 8.181,45 1.186,46 3,47 10.301,49 3.837,50 1,53 9.047,54 4.284,55 4.97,57 11.975,58 0.325,59 4,60 0.568,61 9.068,62 3.976,63 1,65 13.925,66 13.925,67 13.925,68 521.907,69 6.75}
{0 CHEMBL493124,1 1,7 14.96,8 2,9 3,10 1,12 1,13 26357,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.5,22 5.207,23 3,24 4.776,25 4.776,26 4.776,27 6,28 63.988,29 0.304,32 25,33 4.889,35 -0.184,36 154.47,37 0.196,40 10.043,41 3,42 1.788,43 1.788,44 7.715,45 1.156,46 4,47 10.353,49 3.859,50 1,53 10.123,54 4.394,55 5.081,57 12.001,58 0.325,59 4,60 0.739,61 9.109,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 493.24,69 7.357}
{0 CHEMBL493127,1 1,8 2,9 3,10 1,12 1,13 49162,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.806,22 5.497,23 3,24 4.776,25 4.776,26 4.776,27 6,28 351.567,29 0.294,32 32,33 6.444,35 -0.093,36 457.096,37 0.188,40 10.216,41 3,42 1.98,43 1.98,44 8.509,45 1.082,46 4,47 10.597,49 4.047,50 1,53 10.765,54 4.564,55 5.252,57 12.306,58 4.59,59 4,60 0.537,61 9.377,62 4.482,63 1,65 13.925,66 13.925,67 13.925,68 717.907,69 6.87}
{0 CHEMBL493374,1 1,8 2,9 4,10 1,12 1,13 15889,14 1,15 1,16 17,17 7.776,18 5.807,20 1,21 13.421,22 5.121,23 3,24 4.776,25 4.776,26 4.776,27 7,28 66.963,29 0.317,32 24,33 4.722,35 -0.297,36 123.286,37 0.206,40 9.899,41 4,42 1.723,43 1.723,44 7.497,45 1.195,46 4,47 10.314,49 3.797,50 1,53 8.882,54 4.212,55 4.898,57 11.913,58 0.325,59 4,60 0.681,61 9.082,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 432.452,69 7.167}
{0 CHEMBL493375,1 1,7 14.96,8 2,9 4,10 1,12 1,13 14500,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.396,22 5.085,23 2,24 4.776,25 4.776,26 4.776,27 6,28 97.67,29 0.367,32 21,33 4.889,35 -0.208,36 183.327,37 0.237,40 9.889,41 3,42 1.817,43 1.817,44 7.715,45 1.156,46 3,47 10.291,49 3.805,50 1,53 8.821,54 4.197,55 4.883,57 11.885,58 0.325,59 4,60 0.689,61 9.054,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 433.846,69 7.004}
{0 CHEMBL493926,1 1,8 2,9 3,10 1,12 1,13 10538,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.374,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 61.368,29 0.39,32 20,33 4.444,35 -0.298,36 116.851,37 0.256,40 9.879,41 3,42 1.699,43 1.699,44 7.497,45 1.18,46 3,47 10.271,49 3.711,50 1,53 8.61,54 4.135,55 4.82,57 11.855,58 0.325,59 4,60 0.667,61 9.031,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 387.907,69 7.237}
{0 CHEMBL493927,1 1,8 2,9 4,10 1,12 1,13 11820,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.375,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 67.942,29 0.381,32 20,33 4.444,35 -0.3,36 128.824,37 0.249,40 9.88,41 3,42 1.824,43 1.824,44 7.497,45 1.182,46 3,47 10.271,49 3.779,50 1,53 8.685,54 4.151,55 4.836,57 11.857,58 0.325,59 4,60 0.682,61 9.031,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 400.338,69 7.102}
{0 CHEMBL494140,1 1,7 14.96,8 2,9 4,10 1,12 1,13 13213,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.377,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 81.736,29 0.371,32 20,33 4.444,35 -0.226,36 149.561,37 0.24,40 9.881,41 3,42 1.79,43 1.79,44 7.715,45 1.177,46 3,47 10.274,49 3.775,50 1,53 8.755,54 4.167,55 4.852,57 11.86,58 0.325,59 4,60 0.671,61 9.031,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 412.574,69 7.553}
{0 CHEMBL494141,1 1,7 14.96,8 2,9 3,10 1,12 1,13 13104,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.39,22 5.085,23 2,24 4.776,25 4.776,26 4.776,27 6,28 77.635,29 0.374,32 21,33 4.667,35 -0.226,36 148.18,37 0.244,40 9.886,41 3,42 1.79,43 1.79,44 7.715,45 1.176,46 3,47 10.282,49 3.775,50 1,53 8.755,54 4.182,55 4.868,57 11.877,58 0.325,59 4,60 0.846,61 9.045,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 422.907,69 8.167}
{0 CHEMBL494220,1 1,8 2,9 5,10 1,12 1,13 48439,14 1,15 1,16 23,17 7.776,18 5.807,20 1,21 13.552,22 5.27,23 4,24 4.776,25 4.776,26 4.776,27 7,28 69.831,29 0.241,32 29,33 5.167,35 -0.251,36 124.985,37 0.151,40 10.068,41 3,42 1.675,43 1.675,44 7.497,45 1.147,46 5,47 10.399,49 3.981,50 1,53 10.654,54 4.477,55 5.165,57 12.063,58 0.325,59 4,60 0.722,61 9.164,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 543.907,69 8.62}
{0 CHEMBL494539,7 14.96,9 5,10 1,12 1,13 11798,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.416,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 3,28 125.505,29 0.384,32 21,33 4.667,35 -0.171,36 156.279,37 0.251,40 9.849,42 1.838,43 1.838,44 8.195,45 1.194,46 3,47 10.234,49 3.763,53 8.523,54 4.103,55 4.787,57 11.89,58 2.369,59 2,60 0.838,61 9,62 4.265,63 1,65 13.947,66 13.947,67 13.947,68 409.263,69 5.249}
{0 CHEMBL494737,1 1,7 14.96,8 2,9 4,10 1,12 1,13 11820,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.375,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 82.629,29 0.381,32 20,33 4.444,35 -0.235,36 150.647,37 0.249,40 9.88,41 3,42 1.824,43 1.824,44 7.715,45 1.172,46 3,47 10.272,49 3.747,50 1,53 8.685,54 4.151,55 4.836,57 11.857,58 0.325,59 4,60 0.686,61 9.031,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 408.574,69 5.842}
{0 CHEMBL510809,1 1,8 3,9 3,10 1,12 1,13 22381,14 1,15 1,16 19,17 7.774,18 5.807,20 1,21 13.667,22 5.308,23 3,24 4.774,25 4.774,26 4.774,27 3,28 67.4,29 0.321,32 26,33 5,35 -0.194,36 170.694,37 0.211,40 10.202,41 3,42 1.93,43 1.93,44 7.428,45 0.923,46 4,47 10.37,49 3.922,53 10.438,54 4.5,55 5.187,57 12.173,58 0.325,59 3,60 0.74,61 9.119,62 4.265,63 1,65 13.641,66 13.641,67 13.641,68 529.734,69 6.469}
{0 CHEMBL511723,1 1,8 2,9 4,10 1,12 1,13 12997,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.395,22 5.085,23 2,24 4.776,25 4.776,26 4.776,27 6,28 87.955,29 0.378,32 21,33 4.667,35 -0.242,36 167.114,37 0.247,40 9.888,41 3,42 1.753,43 1.753,44 7.497,45 1.143,46 3,47 10.291,49 3.776,50 1,53 8.755,54 4.182,55 4.868,57 11.882,58 0.325,59 4,60 0.718,61 9.056,62 3.977,63 1,65 13.925,66 13.925,67 13.925,68 422.695,69 7.367}
{0 CHEMBL512101,1 1,8 2,9 3,10 1,12 1,13 10538,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.378,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 61.841,29 0.39,32 20,33 4.444,34 1.518,35 -0.301,36 125.15,37 0.256,40 9.882,41 3,42 1.724,43 1.724,44 7.497,45 1.18,46 3,47 10.271,49 3.707,50 1,53 8.685,54 4.151,55 4.836,57 11.861,58 0.325,59 4,60 0.697,61 9.031,62 3.977,63 1,65 13.925,66 13.925,67 13.925,68 393.907,69 7.62}
{0 CHEMBL513297,1 1,8 2,9 4,10 1,12 1,13 14275,14 1,15 1,16 17,17 7.776,18 5.807,20 1,21 13.42,22 5.121,23 3,24 4.776,25 4.776,26 4.776,27 7,28 67.237,29 0.327,32 24,33 4.5,35 -0.312,36 126.374,37 0.214,40 9.898,41 3,42 1.753,43 1.753,44 7.497,45 1.2,46 4,47 10.313,49 3.771,50 1,53 8.82,54 4.197,55 4.883,57 11.911,58 0.325,59 4,60 0.694,61 9.082,62 3.978,63 1,65 13.925,66 13.925,67 13.925,68 428.452,69 8.046}
{0 CHEMBL513513,1 1,8 2,9 3,10 1,12 1,13 23958,14 1,15 1,16 14,17 7.776,18 5.807,20 0.5,21 13.392,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 58.996,29 0.308,32 20,33 4.444,34 1.953,35 -0.216,36 103.305,37 0.191,40 9.89,41 3,42 1.531,43 1.531,44 7.497,45 1.125,46 3,47 10.29,49 3.914,50 1,53 9.146,54 4.27,55 4.956,57 11.883,58 0.325,59 4,60 0.616,61 9.031,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 425.907,69 6.955}
{0 CHEMBL513663,1 1,8 4,9 3,10 1,12 1,13 29616,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.514,22 5.207,23 3,24 4.776,25 4.776,26 4.776,27 6,28 60.117,29 0.297,32 25,33 4.889,34 1.725,35 -0.216,36 121.726,37 0.19,40 10.059,41 3,42 1.642,43 1.642,44 7.497,45 1.185,46 4,47 10.38,49 3.873,50 1,53 10.333,54 4.419,55 5.106,57 12.018,58 0.325,59 4,60 0.689,61 9.138,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 473.907,69 8.143}
{0 CHEMBL515299,1 1,8 2,9 4,10 1,12 1,13 12997,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.395,22 5.085,23 2,24 4.776,25 4.776,26 4.776,27 6,28 80.565,29 0.378,32 21,33 4.667,35 -0.271,36 151.666,37 0.247,40 9.888,41 3,42 1.851,43 1.851,44 7.497,45 1.165,46 3,47 10.287,49 3.81,50 1,53 8.755,54 4.182,55 4.868,57 11.882,58 0.325,59 4,60 0.748,61 9.052,62 3.977,63 1,65 13.925,66 13.925,67 13.925,68 421.611,69 6.91}
{0 CHEMBL515506,1 1,7 19.775,8 2,9 3,10 1,12 1,13 61487,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.578,22 5.278,23 4,24 4.776,25 4.776,26 4.776,27 6,28 66.072,29 0.245,32 29,33 5.111,35 -0.221,36 164.699,37 0.155,38 2,39 2,40 10.149,41 6,42 1.845,43 1.845,44 7.715,45 1.183,46 5,47 10.382,49 3.99,50 1,53 11.431,54 4.58,55 5.268,57 12.094,58 0.325,59 4,60 0.762,61 9.134,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 604.545,69 8.638}
{0 CHEMBL515661,1 1,7 82.043,8 2,9 3,10 1,12 1,13 34524,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.581,22 5.278,23 3,24 4.776,25 4.776,26 4.776,27 6,28 92.266,29 0.29,32 26,33 5.556,35 -0.15,36 247.2,37 0.185,40 10.105,41 3,42 1.868,43 1.868,44 8.191,45 1.193,46 4,47 10.368,49 3.907,50 1,53 10.405,54 4.466,55 5.153,57 12.09,58 0.325,59 4,60 0.787,61 9.13,62 3.982,63 1,65 13.925,66 13.925,67 13.925,68 570.301,69 7.219}
{0 CHEMBL516251,1 1,8 3,9 3,10 1,12 1,13 17933,14 1,15 1,16 19,17 7.774,18 5.807,20 1,21 13.586,22 5.165,23 3,24 4.774,25 4.774,26 4.774,27 3,28 51.588,29 0.329,32 24,33 4.111,35 -0.19,36 141.331,37 0.218,40 10.115,41 3,42 1.736,43 1.736,44 7.428,45 0.917,46 4,47 10.351,49 3.801,53 10.218,54 4.431,55 5.118,57 12.088,58 0.325,59 3,60 0.718,61 9.094,62 4.265,63 1,65 13.641,66 13.641,67 13.641,68 475.008,69 6.606}
{0 CHEMBL516490,1 1,7 29.92,8 2,9 3,10 1,12 1,13 68938,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.612,22 5.345,23 4,24 4.776,25 4.776,26 4.776,27 6,28 69.118,29 0.24,32 30,33 5.556,35 -0.121,36 190.129,37 0.151,40 10.184,41 3,42 1.79,43 1.79,44 8.2,45 1.168,46 5,47 10.41,49 4.009,50 1,53 11.548,54 4.61,55 5.298,57 12.131,58 0.325,59 4,60 0.779,61 9.162,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 617.301,69 8.097}
{0 CHEMBL516941,1 1,7 44.88,8 2,9 3,10 1,12 1,13 76399,14 1,15 1,16 26,17 7.776,18 5.807,20 1,21 13.66,22 5.407,23 4,24 4.776,25 4.776,26 4.776,27 6,28 92.467,29 0.24,32 31,33 6,35 -0.105,36 264.595,37 0.151,40 10.233,41 3,42 1.844,43 1.844,44 8.201,45 1.165,46 5,47 10.443,49 4.036,50 1,53 11.688,54 4.64,55 5.328,57 12.178,58 0.325,59 4,60 0.786,61 9.2,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 661.634,69 7.886}
{0 CHEMBL518382,1 1,7 41.691,8 2,9 6,10 1,12 1,13 82564,14 1,15 1,16 25,17 7.776,18 5.807,20 1,21 13.623,22 5.345,23 4,24 4.776,25 4.776,26 4.776,27 7,28 88.102,29 0.229,32 30,33 5.333,35 -0.108,36 185.27,37 0.143,38 2,39 2,40 10.186,41 5,42 1.891,43 1.891,44 8.195,45 1.139,46 5,47 10.43,49 4.07,50 1,53 11.48,54 4.618,55 5.306,56 2,57 12.141,58 0.325,59 4,60 0.757,61 9.19,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 648.275,69 7.738}
{0 CHEMBL519148,1 1,8 3,9 3,10 1,12 1,13 23657,14 1,15 1,16 21,17 7.773,18 5.807,20 1,21 13.583,22 5.165,23 3,24 4.773,25 4.773,26 4.773,27 3,28 51.548,29 0.321,32 24,33 4.222,35 -0.175,36 147.841,37 0.211,40 10.115,41 3,42 1.687,43 1.687,44 7.428,45 0.989,46 4,47 10.344,49 3.852,53 10.351,54 4.454,55 5.142,57 12.087,58 0.325,59 3,60 0.638,61 9.083,62 4.265,63 1,65 13.636,66 13.636,67 13.636,68 483.008,69 6.057}
{0 CHEMBL521801,1 1,8 3,9 3,10 1,12 1,13 29435,14 1,15 1,16 21,17 7.773,18 5.807,20 1,21 13.624,22 5.239,23 3,24 4.773,25 4.773,26 4.773,27 4,28 58.776,29 0.31,32 25,33 4.667,35 -0.2,36 148.097,37 0.202,40 10.157,41 3,42 1.706,43 1.706,44 7.428,45 1.029,46 4,47 10.37,49 3.91,53 10.559,54 4.5,55 5.187,57 12.132,58 0.325,59 3,60 0.665,61 9.115,62 4.265,63 1,65 13.636,66 13.636,67 13.636,68 523.554,69 5.94}
{0 CHEMBL521822,1 1,8 2,9 3,10 1,12 1,13 36140,14 1,15 1,16 20,17 7.776,18 5.807,20 1,21 13.647,22 5.33,23 3,24 4.776,25 4.776,26 4.776,27 6,28 201.187,29 0.289,32 28,33 5.778,35 -0.13,36 250.629,37 0.183,40 10.113,41 3,42 1.89,43 1.89,44 7.999,45 1.153,46 4,47 10.469,49 3.943,50 1,53 10.424,54 4.466,55 5.153,57 12.147,58 3.911,59 4,60 0.563,61 9.238,62 4.46,63 1,65 13.925,66 13.925,67 13.925,68 583.907,69 7.959}
{0 CHEMBL521839,1 1,8 2,9 3,10 1,12 1,13 9366,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.371,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 61.559,29 0.398,32 20,33 4.444,35 -0.314,36 118.267,37 0.263,40 9.878,41 3,42 1.731,43 1.731,44 7.497,45 1.277,46 3,47 10.267,49 3.682,50 1,53 8.529,54 4.119,55 4.804,57 11.851,58 0.325,59 4,60 0.682,61 9.03,62 3.974,63 1,65 13.925,66 13.925,67 13.925,68 383.907,69 6.496}
{0 CHEMBL521840,1 1,8 2,9 3,10 1,12 1,13 11820,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.375,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 60.997,29 0.381,32 20,33 4.444,35 -0.285,36 113.616,37 0.249,40 9.88,41 3,42 1.67,43 1.67,44 7.497,45 1.183,46 3,47 10.273,49 3.74,50 1,53 8.685,54 4.151,55 4.836,57 11.857,58 0.325,59 4,60 0.654,61 9.031,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 391.907,69 8.092}
{0 CHEMBL521972,1 1,8 3,9 5,10 1,12 1,13 29225,14 1,15 1,16 21,17 7.773,18 5.807,20 1,21 13.664,22 5.308,23 3,24 4.773,25 4.773,26 4.773,27 3,28 73.219,29 0.314,32 26,33 5.111,35 -0.22,36 185.986,37 0.205,40 10.201,41 3,42 1.939,43 1.939,44 7.428,45 1.084,46 4,47 10.356,49 3.976,53 10.567,54 4.522,55 5.209,57 12.171,58 0.325,59 3,60 0.731,61 9.107,62 4.265,63 1,65 13.636,66 13.636,67 13.636,68 557.37,69 5.102}
{0 CHEMBL521984,1 1,8 2,9 4,10 1,12 1,13 30435,14 1,15 1,16 17,17 7.776,18 5.807,20 0.5,21 13.433,22 5.121,23 3,24 4.776,25 4.776,26 4.776,27 6,28 61.833,29 0.251,32 24,33 4.722,35 -0.225,36 103.474,37 0.154,40 9.906,41 3,42 1.562,43 1.562,44 7.497,45 1.126,46 4,47 10.33,49 3.966,50 1,53 9.234,54 4.311,55 4.997,57 11.932,58 0.325,59 4,60 0.614,61 9.082,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 460.452,69 7.215}
{0 CHEMBL522148,1 1,8 2,9 4,10 1,12 1,13 13213,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.377,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 73.187,29 0.371,32 20,33 4.444,35 -0.257,36 135.818,37 0.24,40 9.881,41 3,42 1.7,43 1.7,44 7.497,45 1.183,46 3,47 10.275,49 3.771,50 1,53 8.755,54 4.167,55 4.852,57 11.86,58 0.325,59 4,60 0.665,61 9.031,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 405.422,69 7.959}
{0 CHEMBL522191,9 4,10 1,12 1,13 10517,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.415,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 3,28 104.138,29 0.393,32 21,33 4.667,35 -0.196,36 120.971,37 0.259,40 9.848,42 1.772,43 1.772,44 7.999,45 1.2,46 3,47 10.232,49 3.728,53 8.438,54 4.086,55 4.771,57 11.888,58 2.369,59 2,60 0.865,61 9,62 4.265,63 1,65 13.947,66 13.947,67 13.947,68 388.597,69 4}
{0 CHEMBL522324,1 1,8 2,9 4,10 1,12 1,13 11820,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.375,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 73.886,29 0.381,32 20,33 4.444,35 -0.27,36 138.04,37 0.249,40 9.88,41 3,42 1.729,43 1.729,44 7.497,45 1.182,46 3,47 10.272,49 3.744,50 1,53 8.685,54 4.151,55 4.836,57 11.857,58 0.325,59 4,60 0.68,61 9.031,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 401.422,69 7.284}
{0 CHEMBL523131,1 1,8 3,9 5,10 1,12 1,13 23657,14 1,15 1,16 21,17 7.773,18 5.807,20 1,21 13.583,22 5.165,23 3,24 4.773,25 4.773,26 4.773,27 3,28 48.296,29 0.321,32 24,33 4.222,35 -0.159,36 145.882,37 0.211,40 10.115,41 3,42 1.78,43 1.78,44 7.428,45 0.906,46 4,47 10.335,49 3.917,53 10.351,54 4.454,55 5.142,57 12.087,58 0.325,59 3,60 0.687,61 9.081,62 4.265,63 1,65 13.636,66 13.636,67 13.636,68 492.38,69 5.789}
{0 CHEMBL523666,1 1,8 2,9 4,10 1,12 1,13 39852,14 1,15 1,16 23,17 7.776,18 5.807,20 1,21 13.565,22 5.27,23 4,24 4.776,25 4.776,26 4.776,27 6,28 64.078,29 0.255,32 29,33 4.944,35 -0.226,36 122.625,37 0.162,40 10.077,41 4,42 1.672,43 1.672,44 7.497,45 1.185,46 5,47 10.451,49 3.927,50 1,53 10.506,54 4.454,55 5.142,57 12.071,58 0.325,59 4,60 0.685,61 9.215,62 3.979,63 1,65 13.925,66 13.925,67 13.925,68 508.452,69 8.721}
{0 CHEMBL523710,1 1,7 14.96,8 2,9 4,10 1,12 1,13 10538,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.374,22 5.047,23 2,24 4.776,25 4.776,26 4.776,27 6,28 86.05,29 0.39,32 20,33 4.444,35 -0.244,36 152.064,37 0.256,40 9.879,41 3,42 1.861,43 1.861,44 7.715,45 1.273,46 3,47 10.269,49 3.719,50 1,53 8.61,54 4.135,55 4.82,57 11.855,58 0.325,59 4,60 0.695,61 9.031,62 3.975,63 1,65 13.925,66 13.925,67 13.925,68 404.574,69 5.532}
{0 CHEMBL524017,1 1,7 14.96,8 2,9 4,10 1,12 1,13 12997,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.395,22 5.085,23 2,24 4.776,25 4.776,26 4.776,27 6,28 101.913,29 0.378,32 21,33 4.667,35 -0.215,36 186.109,37 0.247,40 9.888,41 3,42 1.851,43 1.851,44 7.715,45 1.132,46 3,47 10.29,49 3.779,50 1,53 8.755,54 4.182,55 4.868,57 11.882,58 0.325,59 4,60 0.7,61 9.055,62 3.977,63 1,65 13.925,66 13.925,67 13.925,68 429.846,69 6.457}
{0 CHEMBL524194,1 1,7 14.96,8 2,9 3,10 1,12 1,13 11712,14 1,15 1,16 14,17 7.776,18 5.807,20 1,21 13.41,22 5.121,23 2,24 4.776,25 4.776,26 4.776,27 6,28 81.891,29 0.385,32 21,33 4.444,35 -0.235,36 161.351,37 0.252,40 9.9,41 3,42 1.852,43 1.852,44 7.715,45 1.177,46 3,47 10.281,49 3.743,50 1,53 8.755,54 4.197,55 4.883,57 11.899,58 0.325,59 4,60 0.833,61 9.046,62 3.981,63 1,65 13.925,66 13.925,67 13.925,68 435.24,69 6.575}
{0 CHEMBL567893,1 2,9 1,12 1,13 66187,16 11,17 6.54,21 13.686,22 5.585,23 2,24 3.54,25 3.54,26 3.54,27 7,28 184.303,29 0.37,30 1.889,31 1.918,32 38,33 11.111,35 -0.202,36 444.904,37 0.226,40 9.641,41 1,42 1.541,43 1.541,44 7.435,45 0.921,46 2,47 10.781,48 5,49 4.633,52 5,53 9.069,54 5.001,55 5.69,57 12.323,58 4.073,59 11,60 0.99,61 9.624,62 3.991,65 11.19,66 11.19,67 11.19,68 1079.27,69 5.301}
{0 CHEMBL591429,8 1,9 6,12 2,13 14511,16 18,17 7.022,19 1,20 1,21 12.594,22 4.369,23 3,24 4.022,25 4.022,26 4.022,27 1,28 21.267,29 0.279,32 16,33 2.444,34 3.203,35 -0.099,36 56.115,37 0.168,40 9.174,41 1,42 1.471,43 1.471,44 6.468,45 1.042,46 3,47 9.306,49 3.604,53 9.781,54 4.174,55 4.86,57 11.238,58 1.738,59 1,60 0.893,61 8.038,62 3.188,65 9.677,66 9.677,67 9.677,68 360.991,69 5.347}
{0 CHEMBL60190,8 2,9 2,10 1,12 1,13 7348,14 1,15 1,16 14,17 7.775,18 5.807,20 1,21 13.302,22 5.007,23 2,24 4.775,25 4.775,26 4.775,27 3,28 65.556,29 0.405,32 19,33 4,35 -0.224,36 127.84,37 0.268,40 9.841,41 3,42 1.803,43 1.803,44 7.499,45 1.251,46 3,47 10.152,49 3.618,50 1,53 8.345,54 4.069,55 4.754,57 11.784,59 4,60 0.7,61 8.921,62 3.881,63 1,65 13.923,66 13.923,67 13.923,68 362.639,69 6.77}
{0 CHEMBL60306,1 1,8 2,9 1,13 7084,16 15,17 7.23,20 1,21 12.902,22 4.691,23 2,24 4.23,25 4.23,26 4.23,27 5,28 52.735,29 0.4,32 17,33 2.667,35 0.04,36 92.823,37 0.265,40 9.478,41 2,42 1.67,43 1.67,44 7.497,45 1.036,46 3,47 9.842,49 3.306,50 1,53 9.28,54 4.127,55 4.812,56 2,57 11.471,58 2.396,59 4,60 0.577,61 8.586,62 3.775,63 1,65 11.782,66 11.782,67 11.782,68 377.159,69 6.77}
{0 CHEMBL62187,8 2,9 2,10 1,12 1,13 20951,14 1,15 1,16 20,17 7.775,18 5.807,20 1,21 13.432,22 5.13,23 3,24 4.775,25 4.775,26 4.775,27 3,28 52.978,29 0.307,32 24,33 4.667,35 -0.21,36 107.844,37 0.198,40 9.988,41 3,42 1.708,43 1.708,44 7.499,45 1.223,46 4,47 10.26,49 3.796,50 1,53 9.801,54 4.344,55 5.03,57 11.935,58 0.325,59 4,60 0.674,61 9.022,62 3.881,63 1,65 13.925,66 13.925,67 13.925,68 439.377,69 5}
{0 CHEMBL62993,8 2,9 2,10 1,12 1,13 19918,14 1,15 1,16 20,17 7.775,18 5.807,20 1,21 13.397,22 5.094,23 3,24 4.775,25 4.775,26 4.775,27 3,28 56.446,29 0.304,32 23,33 4.222,35 -0.15,36 120.301,37 0.196,40 9.97,41 3,42 1.728,43 1.728,44 7.499,45 1.262,46 4,47 10.203,49 3.771,50 1,53 9.78,54 4.317,55 5.004,57 11.898,59 4,60 0.712,61 8.96,62 3.881,63 1,65 13.923,66 13.923,67 13.923,68 443.367,69 6.4}
{0 CHEMBL81038,7 14.96,8 3,9 3,13 20686,16 12,17 6.986,21 13.161,22 5.075,23 2,24 3.986,25 3.986,26 3.986,27 1,28 96.687,29 0.379,30 0.122,31 0.313,32 20,33 5.333,34 2.761,35 -0.038,36 193.543,37 0.236,40 9.601,42 1.751,43 1.751,44 7.475,45 0.996,46 2,47 9.927,48 1,49 4.077,52 1,53 9.724,54 4.543,55 5.231,57 11.785,58 3.174,59 5,60 1.072,61 8.74,62 3.83,65 9.639,66 9.639,67 9.639,68 639.723,69 7.62}
{0 CHEMBL82932,9 2,13 10461,16 12,17 6.91,20 0.5,21 12.871,22 4.796,23 2,24 3.91,25 3.91,26 3.91,27 1,28 68.554,29 0.388,31 0.122,32 17,33 3.778,35 -0.007,36 115.387,37 0.243,40 9.289,42 1.688,43 1.688,44 7.435,45 0.912,46 2,47 9.698,48 1,49 3.964,52 1,53 8.708,54 4.344,55 5.03,57 11.513,58 3.174,59 4,60 1.137,61 8.501,62 3.827,65 9.633,66 9.633,67 9.633,68 481.17,69 6.546}
{0 CHEMBL99680,7 11.771,9 1,13 13966,16 17,17 6.914,20 1,21 12.757,22 4.62,23 3,24 3.914,25 3.914,26 3.914,27 2,28 61.389,29 0.305,32 19,33 3.111,35 -0.046,36 124.472,37 0.189,40 9.181,42 1.538,43 1.538,44 7.43,45 0.898,46 3,47 9.675,48 1,49 3.707,52 1,53 9.426,54 4.263,55 4.949,57 11.403,58 2.848,59 3,60 1.006,61 8.466,62 3.737,65 9.262,66 9.262,67 9.262,68 452.944,69 5.426}
{0 CHEMBL99681,7 11.771,9 1,13 13966,16 17,17 7.028,20 1,21 12.794,22 4.62,23 3,24 4.028,25 4.028,26 4.028,27 2,28 61.38,29 0.315,32 19,33 3.333,35 -0.046,36 125.048,37 0.198,40 9.222,42 1.538,43 1.538,44 7.43,45 0.88,46 3,47 9.738,48 1,49 3.707,52 1,53 9.587,54 4.263,55 4.949,57 11.427,58 2.848,59 3,60 0.997,61 8.524,62 3.738,65 10.179,66 10.179,67 10.179,68 453.944,69 5.695}
{0 CHEMBL99999,7 11.771,9 1,13 11974,16 16,17 6.693,20 1,21 12.638,22 4.543,23 3,24 3.693,25 3.693,26 3.693,27 2,28 61.084,29 0.299,32 19,33 3.333,35 -0.059,36 119.064,37 0.185,40 8.864,42 1.508,43 1.508,44 7.43,45 0.878,46 3,47 9.667,48 2,49 3.691,52 2,53 8.283,54 4.119,55 4.804,57 11.292,58 2.848,59 3,60 0.9,61 8.479,62 3.737,65 9.262,66 9.262,67 9.262,68 412.944,69 5.281}