@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2902

@attribute molecule_id {CHEMBL104555,CHEMBL104770,CHEMBL104829,CHEMBL10591,CHEMBL10592,CHEMBL106628,CHEMBL107079,CHEMBL107167,CHEMBL108006,CHEMBL10804,CHEMBL11133,CHEMBL11187,CHEMBL113816,CHEMBL113999,CHEMBL114058,CHEMBL114354,CHEMBL114833,CHEMBL114839,CHEMBL115474,CHEMBL115804,CHEMBL1160181,CHEMBL1160188,CHEMBL1160189,CHEMBL1160192,CHEMBL1160200,CHEMBL116200,CHEMBL116637,CHEMBL116815,CHEMBL116816,CHEMBL117750,CHEMBL119,CHEMBL123231,CHEMBL1237205,CHEMBL124256,CHEMBL124631,CHEMBL1254767,CHEMBL1254855,CHEMBL1254939,CHEMBL1255023,CHEMBL1255024,CHEMBL132703,CHEMBL132812,CHEMBL135424,CHEMBL135459,CHEMBL135777,CHEMBL135854,CHEMBL135984,CHEMBL135987,CHEMBL136925,CHEMBL137456,CHEMBL138500,CHEMBL154935,CHEMBL166915,CHEMBL16950,CHEMBL17044,CHEMBL171480,CHEMBL171757,CHEMBL17235,CHEMBL173271,CHEMBL17383,CHEMBL18898,CHEMBL18912,CHEMBL18925,CHEMBL18967,CHEMBL19023,CHEMBL19113,CHEMBL19227,CHEMBL19293,CHEMBL193275,CHEMBL19383,CHEMBL19406,CHEMBL19414,CHEMBL19633,CHEMBL19672,CHEMBL19771,CHEMBL19772,CHEMBL19780,CHEMBL19790,CHEMBL20129,CHEMBL20224,CHEMBL20368,CHEMBL20424,CHEMBL2051989,CHEMBL2051990,CHEMBL2051991,CHEMBL20587,CHEMBL20812,CHEMBL20861,CHEMBL20874,CHEMBL20922,CHEMBL2092925,CHEMBL20975,CHEMBL21031,CHEMBL21032,CHEMBL21254,CHEMBL21258,CHEMBL21395,CHEMBL22,CHEMBL22146,CHEMBL223279,CHEMBL225072,CHEMBL22708,CHEMBL22793,CHEMBL23021,CHEMBL23532,CHEMBL23594,CHEMBL25889,CHEMBL265493,CHEMBL266573,CHEMBL267499,CHEMBL267692,CHEMBL267890,CHEMBL268414,CHEMBL268914,CHEMBL269704,CHEMBL274031,CHEMBL274278,CHEMBL277391,CHEMBL278515,CHEMBL279273,CHEMBL279508,CHEMBL279732,CHEMBL280145,CHEMBL280378,CHEMBL280884,CHEMBL281760,CHEMBL282677,CHEMBL282754,CHEMBL282932,CHEMBL283173,CHEMBL283279,CHEMBL283518,CHEMBL283740,CHEMBL283916,CHEMBL285019,CHEMBL285209,CHEMBL286400,CHEMBL287235,CHEMBL287241,CHEMBL287436,CHEMBL291931,CHEMBL293263,CHEMBL293299,CHEMBL296373,CHEMBL296525,CHEMBL29712,CHEMBL298955,CHEMBL299863,CHEMBL300114,CHEMBL300156,CHEMBL301089,CHEMBL30370,CHEMBL30681,CHEMBL30734,CHEMBL30937,CHEMBL31004,CHEMBL31055,CHEMBL31235,CHEMBL31351,CHEMBL31402,CHEMBL31462,CHEMBL31547,CHEMBL31619,CHEMBL31713,CHEMBL31887,CHEMBL31891,CHEMBL31912,CHEMBL31924,CHEMBL31946,CHEMBL32039,CHEMBL32063,CHEMBL32067,CHEMBL320811,CHEMBL32113,CHEMBL321826,CHEMBL32266,CHEMBL32304,CHEMBL323565,CHEMBL325434,CHEMBL32708,CHEMBL32793,CHEMBL33014,CHEMBL33045,CHEMBL33205,CHEMBL33208,CHEMBL33389,CHEMBL334565,CHEMBL335498,CHEMBL33558,CHEMBL336487,CHEMBL336639,CHEMBL336725,CHEMBL33677,CHEMBL33815,CHEMBL34158,CHEMBL34259,CHEMBL342714,CHEMBL34274,CHEMBL34396,CHEMBL34627,CHEMBL34794,CHEMBL34823,CHEMBL34918,CHEMBL350097,CHEMBL36623,CHEMBL36639,CHEMBL376180,CHEMBL41056,CHEMBL414610,CHEMBL416177,CHEMBL417095,CHEMBL418584,CHEMBL42159,CHEMBL422395,CHEMBL430872,CHEMBL434787,CHEMBL439973,CHEMBL44684,CHEMBL45202,CHEMBL46980,CHEMBL49022,CHEMBL49651,CHEMBL50514,CHEMBL53516,CHEMBL53693,CHEMBL56101,CHEMBL56129,CHEMBL56146,CHEMBL56282,CHEMBL56318,CHEMBL56468,CHEMBL56602,CHEMBL56668,CHEMBL56757,CHEMBL57034,CHEMBL57160,CHEMBL57343,CHEMBL57383,CHEMBL57582,CHEMBL57787,CHEMBL59369,CHEMBL608610,CHEMBL60913,CHEMBL66389,CHEMBL6671,CHEMBL66864,CHEMBL6741,CHEMBL6742,CHEMBL6755,CHEMBL69016,CHEMBL6948,CHEMBL6962,CHEMBL7004,CHEMBL7005,CHEMBL7035,CHEMBL7070,CHEMBL7191,CHEMBL7341,CHEMBL7357,CHEMBL747,CHEMBL7492,CHEMBL81820,CHEMBL82924,CHEMBL82975,CHEMBL9798,CHEMBL9824,CHEMBL9973}
@attribute P_VSA_e_3 numeric
@attribute P_VSA_LogP_3 numeric
@attribute GGI7 numeric
@attribute Eig02_AEA.ed. numeric
@attribute SM11_EA.bo. numeric
@attribute SM09_EA.bo. numeric
@attribute SM10_EA.bo. numeric
@attribute N.069 numeric
@attribute nArNH2 numeric
@attribute Eig02_AEA.ri. numeric
@attribute SM12_EA.bo. numeric
@attribute SaaN numeric
@attribute Eig02_EA.ri. numeric
@attribute SM08_EA.bo. numeric
@attribute Eig02_EA numeric
@attribute SM10_AEA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute SM07_EA.bo. numeric
@attribute Yindex numeric
@attribute P_VSA_e_5 numeric
@attribute Eig08_EA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute GGI3 numeric
@attribute GATS6p numeric
@attribute IC2 numeric
@attribute SM07_EA numeric
@attribute Eig13_EA.ri. numeric
@attribute Vindex numeric
@attribute Xindex numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMax_EA.ed. numeric
@attribute Eig01_EA numeric
@attribute SM09_AEA.bo. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpMax_EA numeric
@attribute JGI6 numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute nRCOOH numeric
@attribute SpDiam_AEA.ri. numeric
@attribute Eig08_AEA.ed. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SM03_EA.ed. numeric
@attribute ATS7e numeric
@attribute NssCH2 numeric
@attribute Eig06_EA.ri. numeric
@attribute ICR numeric
@attribute SpMin1_Bh.s. numeric
@attribute Eig02_AEA.bo. numeric
@attribute SM15_EA.ed. numeric
@attribute GGI4 numeric
@attribute ATSC7e numeric
@attribute ATSC7m numeric
@attribute ATS8m numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute GATS8i numeric
@attribute RBF numeric
@attribute SM08_EA numeric
@attribute ATS7i numeric
@attribute HVcpx numeric
@attribute pXC50 numeric

@data
{1 99.365,2 113.176,3 0.129,4 6.159,5 17.082,6 14.017,7 15.608,8 2,9 2,10 3.669,11 18.642,12 8.269,13 2.604,14 12.632,15 2.708,16 2.708,17 8.75,18 10.956,19 0.898,21 2.136,22 2.136,23 2.104,24 0.914,25 3.87,26 8.561,27 -1,28 0.296,29 0.437,30 6.936,31 11.633,32 11.633,33 6.936,34 11.633,35 3.295,36 3.295,37 5.295,38 19.04,39 3.295,40 0.017,41 1.741,42 1.741,44 5.37,45 3.247,46 1.266,47 7.345,48 3.789,50 1.336,51 2.261,52 1.14,53 4.092,54 36.825,55 1.166,56 0.106,57 9.358,58 2.125,59 -1,60 -1.5,61 -1,62 0.795,63 0.031,64 9.836,65 4.053,66 2.81,67 5.824}
{0 CHEMBL104770,1 99.365,2 65.794,3 0.194,4 5.776,5 16.998,6 13.92,7 15.502,8 2,9 2,10 3.444,11 18.554,12 8.555,13 2.337,14 12.494,15 2.513,16 2.513,17 12.033,18 10.845,19 0.782,21 2.438,22 2.438,23 1.917,24 1.094,25 3.325,26 8.417,27 -0.484,28 0.267,29 0.401,30 6.922,31 11.66,32 11.66,33 6.922,34 11.66,35 3.276,36 3.276,37 5.276,38 18.775,39 3.276,40 0.015,41 1.825,42 1.825,44 5.353,45 3.332,46 1.723,47 7.213,48 4.761,49 10,50 1.652,51 2.298,52 1.448,53 3.866,54 36.844,55 1.134,56 0.264,57 31.423,58 2.858,59 -0.537,60 -0.633,61 -0.537,62 0.897,64 9.722,65 5.076,66 2.994,67 4.921}
{0 CHEMBL104829,1 120.5,2 115.439,3 0.467,4 6.139,5 16.942,6 13.954,7 15.511,8 2,9 2,10 3.902,11 18.473,12 7.961,13 2.878,14 12.622,15 2.915,16 2.915,17 26.293,18 10.995,19 0.494,20 170.309,21 5.091,22 5.091,23 2.597,24 1.005,25 5.074,26 8.872,27 0.795,28 0.189,29 0.305,30 6.786,31 11.135,32 11.135,33 6.786,34 11.135,35 3.198,36 3.198,37 5.198,38 18.028,39 3.198,40 0.017,41 2.299,42 2.299,43 2,44 5.245,45 4.645,46 1.686,47 7.684,48 4.759,49 3,50 2.144,51 3.222,52 1.223,53 4.231,54 36.21,55 1.907,56 0.925,57 24.755,58 3.705,59 0.815,60 1.142,61 0.815,62 0.966,63 0.161,64 10.099,65 4.947,66 3.716,67 6.658}
{0 CHEMBL10591,1 150.947,2 103.699,3 0.507,4 6.116,5 16.685,6 13.754,7 15.31,8 2,9 2,10 3.883,11 18.204,12 16.447,13 2.861,14 12.494,15 2.892,16 2.892,17 21.345,18 10.851,19 0.452,20 160.801,21 5.12,22 5.12,23 1.813,24 1.065,25 5.045,26 8.675,27 0.6,28 0.177,29 0.289,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.013,41 2.289,42 2.289,43 2,44 5.137,45 4.645,46 1.563,47 7.509,48 4.605,49 3,50 2.127,51 3.233,52 1.222,53 4.207,54 34.944,55 2.16,56 0.807,57 24.983,58 3.786,59 0.722,60 0.841,61 0.722,62 1.069,63 0.17,64 9.906,65 4.794,66 3.803,67 8.398}
{0 CHEMBL10592,1 150.947,2 103.699,3 0.358,4 6.116,5 16.685,6 13.754,7 15.31,8 2,9 2,10 3.883,11 18.203,12 16.523,13 2.861,14 12.494,15 2.892,16 2.892,17 21.345,18 10.851,19 0.427,20 160.801,21 5.12,22 5.12,23 1.938,24 1.008,25 5.051,26 8.675,27 0.903,28 0.169,29 0.279,30 6.502,31 10.174,32 10.174,33 6.502,34 10.174,35 3.078,36 3.078,37 5.078,38 17.069,39 3.078,40 0.015,41 2.336,42 2.336,43 2,44 5.126,45 4.645,46 1.702,47 7.509,48 4.693,49 4,50 2.14,51 3.331,52 1.223,53 4.206,54 34.943,55 2,56 0.837,57 27.261,58 3.789,59 1,60 1.219,61 1,62 0.983,63 0.179,64 9.909,65 4.895,66 3.875,67 6.398}
{0 CHEMBL106628,1 135.387,2 115.439,3 0.408,4 6.116,5 16.927,6 13.935,7 15.495,8 2,9 2,10 3.886,11 18.461,12 7.892,13 2.868,14 12.603,15 2.892,16 2.892,17 25.778,18 10.971,19 0.472,20 170.309,21 4.968,22 4.968,23 2.222,24 1.016,25 5.006,26 8.768,27 0.575,28 0.183,29 0.298,30 6.78,31 11.107,32 11.107,33 6.78,34 11.107,35 3.188,36 3.188,37 5.188,38 17.998,39 3.188,40 0.016,41 2.28,42 2.28,43 2,44 5.236,45 4.645,46 1.629,47 7.588,48 4.642,49 3,50 2.142,51 3.208,52 1.222,53 4.206,54 36.155,55 1.832,56 0.898,57 21.945,58 3.628,59 0.609,60 0.716,61 0.609,62 1.01,63 0.17,64 10.004,65 4.823,66 3.715,67 6.252}
{0 CHEMBL107079,1 99.365,2 103.699,3 0.273,4 5.989,5 17.14,6 14.073,7 15.662,8 2,9 2,10 3.613,11 18.701,12 8.284,13 2.523,14 12.683,15 2.664,16 2.664,17 10.351,18 11.017,19 0.892,21 2.275,22 2.275,23 2.194,24 0.99,25 4.082,26 8.638,27 -0.958,28 0.294,29 0.434,30 7.039,31 12.074,32 12.074,33 7.039,34 12.074,35 3.324,36 3.324,37 5.324,38 19.282,39 3.324,40 0.023,41 1.98,42 1.98,44 5.4,45 3.414,46 1.286,47 7.441,48 3.917,50 1.502,51 2.36,52 1.161,53 4.067,54 37.369,55 1.597,56 0.215,57 18.173,58 2.794,59 -1,60 -1.437,61 -1,62 0.694,63 0.031,64 9.906,65 4.205,66 2.874,67 4.301}
{0 CHEMBL107167,1 99.365,2 94.223,3 0.278,4 6.207,5 17.164,6 14.123,7 15.697,8 2,9 2,10 3.777,11 18.712,12 8.235,13 2.643,14 12.739,15 2.852,16 2.852,17 10.917,18 11.093,19 0.829,21 2.867,22 2.867,23 2.354,24 0.666,25 4.19,26 8.742,27 -0.599,28 0.28,29 0.418,30 6.938,31 11.64,32 11.64,33 6.938,34 11.64,35 3.299,36 3.299,37 5.299,38 19.07,39 3.299,40 0.022,41 1.939,42 1.939,44 5.378,45 4.005,46 1.266,47 7.516,48 3.846,50 1.462,51 2.423,52 1.14,53 4.247,54 36.844,55 1.548,56 0.27,57 11.431,58 3.213,59 -0.756,60 -0.949,61 -0.756,62 0.828,63 0.031,64 9.989,65 4.044,66 2.952,67 5.518}
{0 CHEMBL108006,1 99.365,2 65.794,3 0.105,4 5.776,5 16.998,6 13.92,7 15.501,8 2,9 2,10 3.448,11 18.554,12 8.395,13 2.342,14 12.493,15 2.516,16 2.516,17 12.033,18 10.845,19 0.981,21 0.561,22 0.561,23 1.917,24 0.949,25 3.711,26 8.417,27 -1.216,28 0.315,29 0.457,30 6.922,31 11.66,32 11.66,33 6.922,34 11.66,35 3.276,36 3.276,37 5.276,38 18.775,39 3.276,40 0.016,41 1.656,42 1.656,44 5.349,45 2.78,46 1.518,47 7.213,48 3.816,49 6,50 1.533,51 1.971,52 1.425,53 3.867,54 36.844,55 1.054,56 0.168,57 10.962,58 1.624,59 -1.274,60 -1.394,61 -1.274,62 0.653,64 9.706,65 4.122,66 2.699,67 4.347}
{0 CHEMBL10804,1 150.947,2 103.699,3 0.507,4 6.116,5 16.685,6 13.754,7 15.31,8 2,9 2,10 3.885,11 18.204,12 16.208,13 2.864,14 12.494,15 2.892,16 2.892,17 23.61,18 10.851,19 0.452,20 171.801,21 5.12,22 5.12,23 1.813,24 0.979,25 5.045,26 8.675,27 0.639,28 0.177,29 0.289,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.013,41 2.289,42 2.289,43 2,44 5.102,45 4.645,46 1.586,47 7.509,48 4.617,49 3,50 2.147,51 3.233,52 1.221,53 4.207,54 34.944,55 2.16,56 0.953,57 22.014,58 3.682,59 0.722,60 0.841,61 0.722,62 1.075,63 0.17,64 9.906,65 4.808,66 3.803,67 8.398}
{0 CHEMBL11133,1 154.072,2 103.699,3 0.797,4 6.42,5 16.711,6 13.787,7 15.337,8 2,9 2,10 3.945,11 18.225,12 16.734,13 2.882,14 12.526,15 2.986,16 2.986,17 29.455,18 10.894,19 0.505,20 160.801,21 5.226,22 5.226,23 2.563,24 1.039,25 5.119,26 8.893,27 0.918,28 0.191,29 0.308,30 6.508,31 10.199,32 10.199,33 6.508,34 10.199,35 3.093,36 3.093,37 5.093,38 17.093,39 3.093,40 0.019,41 2.345,42 2.345,43 2,44 5.117,45 4.882,46 1.866,47 7.724,48 5.004,49 3,50 2.155,51 3.264,52 1.231,53 4.257,54 35.373,55 2.6,56 0.953,57 34.772,58 4.015,59 1,60 1.361,61 1,62 1.344,63 0.159,64 10.117,65 5.242,66 3.783,67 7.824}
{0 CHEMBL11187,1 150.947,2 103.699,3 0.358,4 6.116,5 16.685,6 13.754,7 15.31,8 2,9 2,10 3.884,11 18.203,12 16.358,13 2.864,14 12.494,15 2.892,16 2.892,17 23.61,18 10.851,19 0.427,20 171.801,21 5.12,22 5.12,23 1.938,24 1.081,25 5.051,26 8.675,27 0.907,28 0.169,29 0.279,30 6.502,31 10.174,32 10.174,33 6.502,34 10.174,35 3.078,36 3.078,37 5.078,38 17.069,39 3.078,40 0.015,41 2.336,42 2.336,43 2,44 5.102,45 4.645,46 1.718,47 7.509,48 4.706,49 4,50 2.151,51 3.331,52 1.221,53 4.206,54 34.943,55 2,56 1.015,57 24.648,58 3.686,59 1,60 1.219,61 1,62 0.987,63 0.179,64 9.909,65 4.908,66 3.875,67 6.699}
{0 CHEMBL113816,1 102.49,2 122.652,3 0.37,4 6.019,5 16.709,6 13.762,7 15.325,8 2,9 2,10 3.817,11 18.23,12 8.226,13 2.747,14 12.486,15 2.855,16 2.855,17 25.178,18 10.826,19 0.619,20 22,21 3.316,22 3.316,23 2.125,24 1.173,25 4.355,26 8.55,27 -0.231,28 0.225,29 0.352,30 6.52,31 10.238,32 10.238,33 6.52,34 10.238,35 3.102,36 3.102,37 5.102,38 17.132,39 3.102,40 0.018,41 2.061,42 2.061,44 5.14,45 4.061,46 1.59,47 7.38,48 4.681,49 1,50 1.867,51 2.759,52 1.227,53 4.209,54 34.995,55 1.831,56 0.482,57 26.257,58 3.415,59 -0.24,60 -0.285,61 -0.24,62 1.063,63 0.104,64 9.791,65 4.958,66 3.331,67 7.432}
{0 CHEMBL113999,1 117.376,2 113.176,3 0.373,4 6.502,5 16.844,6 13.894,7 15.449,8 2,9 2,10 4.006,11 18.358,12 8.168,13 2.894,14 12.594,15 3.058,16 3.058,17 26.188,18 10.948,19 0.579,20 33,21 2.565,22 2.565,23 2.063,24 1.214,25 4.2,26 8.643,27 0.02,28 0.214,29 0.339,30 6.523,31 10.257,32 10.257,33 6.523,34 10.257,35 3.081,36 3.081,37 5.081,38 17.178,39 3.081,40 0.017,41 2.061,42 2.061,44 5.12,45 3.811,46 1.59,47 7.496,48 4.7,49 1,50 1.867,51 2.844,52 1.204,53 4.42,54 35.554,55 2.182,56 0.456,57 28.01,58 3.465,59 0.021,60 0.027,61 0.021,62 0.845,63 0.122,64 9.893,65 5.016,66 3.402,67 5.553}
{0 CHEMBL114058,1 117.376,2 113.176,3 0.342,4 6.501,5 16.844,6 13.894,7 15.449,8 2,9 2,10 4.019,11 18.359,12 8.173,13 2.937,14 12.594,15 3.056,16 3.056,17 26.006,18 10.948,19 0.61,20 33,21 2.868,22 2.868,23 2.063,24 0.757,25 4.2,26 8.643,27 0.018,28 0.222,29 0.349,30 6.53,31 10.298,32 10.298,33 6.53,34 10.298,35 3.087,36 3.087,37 5.087,38 17.219,39 3.087,40 0.011,41 2.061,42 2.061,44 5.125,45 3.874,46 1.59,47 7.496,48 4.611,49 1,50 1.867,51 2.786,52 1.205,53 4.421,54 35.584,55 2.022,56 0.358,57 22.958,58 3.487,59 0.019,60 0.024,61 0.019,62 0.831,63 0.122,64 9.894,65 4.851,66 3.369,67 4.432}
{0 CHEMBL114354,1 102.49,2 122.652,3 0.323,4 6.503,5 16.803,6 13.853,7 15.411,8 2,9 2,10 4.024,11 18.319,12 8.317,13 2.987,14 12.559,15 3.034,16 3.034,17 20.692,18 10.905,19 0.545,21 3.407,22 3.407,23 1.75,24 0.953,25 4.496,26 8.684,27 -0.145,28 0.197,29 0.307,30 6.534,31 10.299,32 10.299,33 6.534,34 10.299,35 3.111,36 3.111,37 5.111,38 17.195,39 3.111,40 0.014,41 2.031,42 2.031,44 5.154,45 4.007,46 1.674,47 7.516,48 4.656,49 5,50 1.874,51 2.713,52 1.452,53 4.381,54 35.616,55 1.693,56 0.251,57 24.239,58 3.374,59 -0.15,60 -0.18,61 -0.15,62 0.973,63 0.059,64 9.95,65 4.935,66 3.301,67 7.678}
{0 CHEMBL114833,1 117.376,2 113.176,3 0.358,4 6.348,5 16.828,6 13.883,7 15.436,8 2,9 2,10 3.981,11 18.341,12 8.17,13 2.892,14 12.587,15 3.024,16 3.024,17 26.097,18 10.943,19 0.593,20 33,21 2.917,22 2.917,23 1.813,24 0.977,25 4.243,26 8.636,27 0.018,28 0.218,29 0.343,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.081,36 3.081,37 5.081,38 17.069,39 3.081,40 0.015,41 2.044,42 2.044,44 5.12,45 3.926,46 1.584,47 7.486,48 4.633,49 1,50 1.85,51 2.83,52 1.205,53 4.389,54 35.248,55 2.102,56 0.505,57 24.922,58 3.49,59 0.02,60 0.025,61 0.02,62 0.982,63 0.122,64 9.882,65 4.891,66 3.405,67 5.796}
{0 CHEMBL114839,1 117.376,2 122.652,3 0.236,4 6.5,5 16.785,6 13.831,7 15.393,8 2,9 2,10 4.023,11 18.302,12 8.248,13 2.979,14 12.538,15 3.028,16 3.028,17 20.177,18 10.878,19 0.516,21 2.853,22 2.853,23 1.5,24 0.814,25 4.436,26 8.558,27 -0.352,28 0.19,29 0.299,30 6.508,31 10.202,32 10.202,33 6.508,34 10.202,35 3.081,36 3.081,37 5.081,38 17.096,39 3.081,40 0.013,41 2.023,42 2.023,44 5.124,45 3.71,46 1.582,47 7.402,48 4.362,49 5,50 1.838,51 2.709,52 1.45,53 4.374,54 35.507,55 1.493,56 0.168,57 17.89,58 3.308,59 -0.366,60 -0.448,61 -0.366,62 1.093,63 0.063,64 9.837,65 4.636,66 3.309,67 5.745}
{0 CHEMBL115474,1 117.376,2 141.604,3 0.248,4 5.406,5 16.574,6 13.597,7 15.188,8 2,9 2,10 3.541,11 18.113,12 8.133,13 2.52,14 12.332,15 2.559,16 2.559,17 16.037,18 10.626,19 0.63,21 2.136,22 2.136,23 1,24 0.922,25 3.965,26 8.149,27 -0.782,28 0.231,29 0.361,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.078,36 3.078,37 5.078,38 17.069,39 3.078,40 0.011,41 1.958,42 1.958,44 5.118,45 3.247,46 1.439,47 6.986,48 3.984,49 1,50 1.484,51 2.69,52 1.202,53 3.913,54 34.802,55 1.249,56 0.125,57 12.059,58 2.893,59 -0.815,60 -1.084,61 -0.815,62 1.109,63 0.081,64 9.432,65 4.248,66 3.184,67 5.569}
{0 CHEMBL115804,1 102.49,2 122.652,3 0.417,4 6.22,5 16.743,6 13.797,7 15.357,8 2,9 2,10 3.892,11 18.261,12 8.226,13 2.818,14 12.515,15 2.93,16 2.93,17 23.693,18 10.86,19 0.62,20 22,21 3.216,22 3.216,23 1.75,24 0.909,25 4.442,26 8.608,27 -0.16,28 0.225,29 0.353,30 6.521,31 10.241,32 10.241,33 6.521,34 10.241,35 3.104,36 3.104,37 5.104,38 17.135,39 3.104,40 0.013,41 2.091,42 2.091,44 5.142,45 4.007,46 1.588,47 7.445,48 4.594,49 1,50 1.879,51 2.855,52 1.228,53 4.278,54 35.144,55 1.991,56 0.303,57 22.663,58 3.4,59 -0.175,60 -0.201,61 -0.175,62 0.806,63 0.104,64 9.848,65 4.846,66 3.37,67 6.921}
{0 CHEMBL1160181,1 159.646,2 99.231,3 1.613,4 6.204,5 16.779,6 13.917,7 15.428,8 1,9 1,10 3.936,11 18.273,12 7.798,13 2.905,14 12.69,15 2.951,16 2.951,17 55.387,18 11.126,19 0.38,20 575.378,21 7.749,22 7.749,23 4.688,24 0.979,25 5.003,26 9.405,27 2.158,28 0.152,29 0.253,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.017,41 2.78,42 2.78,43 6,44 5.122,45 5.789,46 1.939,47 8.239,48 5.857,49 11,50 2.67,51 4.175,52 1.265,53 4.255,54 35.288,55 4.84,56 3.415,57 81.145,58 5.026,59 2.154,60 2.696,61 2.154,62 1.02,63 0.24,64 10.609,65 6.059,66 4.683,67 5.538}
{0 CHEMBL1160188,1 123.625,2 99.231,3 1.05,4 6.188,5 16.745,6 13.853,7 15.383,8 1,9 1,10 3.913,11 18.249,12 7.801,13 2.883,14 12.612,15 2.932,16 2.932,17 41.131,18 11.014,19 0.394,20 389.431,21 5.862,22 5.862,23 3.563,24 0.972,25 5.086,26 9.149,27 1.597,28 0.156,29 0.26,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.018,41 2.745,42 2.745,43 4,44 5.122,45 5.062,46 1.906,47 7.984,48 5.42,49 7,50 2.531,51 3.83,52 1.258,53 4.253,54 35.176,55 3.56,56 2.008,57 51.654,58 4.551,59 1.639,60 2.238,61 1.639,62 1.056,63 0.213,64 10.361,65 5.623,66 4.369,67 5.276}
{0 CHEMBL1160189,1 105.614,2 99.231,3 0.957,4 6.204,5 16.73,6 13.821,7 15.362,8 1,9 1,10 3.935,11 18.239,12 7.805,13 2.904,14 12.572,15 2.951,16 2.951,17 33.992,18 10.955,19 0.471,20 296.458,21 5.761,22 5.761,23 2.813,24 0.976,25 5.147,26 8.997,27 1.162,28 0.18,29 0.292,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.017,41 2.533,42 2.533,43 3,44 5.122,45 4.973,46 1.871,47 7.835,48 5.248,49 5,50 2.255,51 3.481,52 1.249,53 4.255,54 35.188,55 2.92,56 1.567,57 41.947,58 4.409,59 1.177,60 1.523,61 1.177,62 1.022,63 0.192,64 10.217,65 5.442,66 3.998,67 5.337}
{0 CHEMBL1160192,1 141.636,2 99.231,3 1.394,4 6.204,5 16.763,6 13.886,7 15.406,8 1,9 1,10 3.936,11 18.262,12 7.801,13 2.905,14 12.652,15 2.951,16 2.951,17 48.255,18 11.072,19 0.406,20 482.404,21 6.807,22 6.807,23 4.063,24 0.977,25 5.081,26 9.287,27 1.891,28 0.16,29 0.264,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.017,41 2.752,42 2.752,43 5,44 5.122,45 5.297,46 1.926,47 8.122,48 5.692,49 9,50 2.616,51 3.984,52 1.262,53 4.255,54 35.256,55 4.2,56 2.795,57 68.095,58 4.859,59 2.036,60 2.682,61 2.036,62 1.018,63 0.229,64 10.495,65 5.893,66 4.478,67 5.432}
{0 CHEMBL1160200,1 87.603,2 99.231,3 0.55,4 6.188,5 16.708,6 13.778,7 15.333,8 1,9 1,10 3.911,11 18.224,12 7.821,13 2.881,14 12.518,15 2.931,16 2.931,17 26.797,18 10.871,19 0.496,20 160.801,21 4.274,22 4.274,23 2.313,24 0.977,25 5.132,26 8.775,27 0.93,28 0.189,29 0.305,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.019,41 2.332,42 2.332,43 1,44 5.122,45 4.415,46 1.625,47 7.612,48 4.735,49 3,50 1.891,51 3.248,52 1.239,53 4.253,54 35.102,55 2.2,56 0.582,57 24.333,58 3.812,59 0.908,60 1.199,61 0.908,62 1.114,63 0.161,64 10.011,65 4.939,66 3.779,67 5.31}
{0 CHEMBL116200,1 117.376,2 122.652,3 0.326,4 6.173,5 16.724,6 13.775,7 15.338,8 2,9 2,10 3.869,11 18.244,12 8.158,13 2.8,14 12.494,15 2.904,16 2.904,17 23.178,18 10.833,19 0.585,20 22,21 2.565,22 2.565,23 1.5,24 0.81,25 4.379,26 8.471,27 -0.35,28 0.217,29 0.343,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.012,41 2.041,42 2.041,44 5.119,45 3.71,46 1.579,47 7.322,48 4.352,49 1,50 1.845,51 2.836,52 1.204,53 4.267,54 34.989,55 1.711,56 0.248,57 17.577,58 3.307,59 -0.383,60 -0.463,61 -0.383,62 0.929,63 0.111,64 9.723,65 4.595,66 3.384,67 5.678}
{0 CHEMBL116637,1 117.376,2 113.176,3 0.358,4 6.502,5 16.89,6 13.936,7 15.49,8 2,9 2,10 4.042,11 18.404,12 8.17,13 2.956,14 12.627,15 3.076,16 3.076,17 24.703,18 10.983,19 0.596,20 33,21 2.565,22 2.565,23 2.063,24 1.052,25 4.285,26 8.703,27 0.018,28 0.219,29 0.345,30 6.688,31 10.788,32 10.788,33 6.688,34 10.788,35 3.123,36 3.123,37 5.123,38 17.976,39 3.123,40 0.014,41 2.041,42 2.041,44 5.147,45 3.72,46 1.585,47 7.564,48 4.678,49 1,50 1.845,51 2.83,52 1.205,53 4.473,54 36.025,55 2.102,56 0.446,57 26.95,58 3.474,59 0.02,60 0.025,61 0.02,62 0.928,63 0.122,64 9.956,65 4.978,66 3.393,67 5.699}
{0 CHEMBL116815,1 117.376,2 122.652,3 0.311,4 5.787,5 16.689,6 13.738,7 15.305,8 2,9 2,10 3.787,11 18.212,12 8.157,13 2.724,14 12.464,15 2.821,16 2.821,17 24.663,18 10.797,19 0.583,20 22,21 2.565,22 2.565,23 1.75,24 1.12,25 4.286,26 8.404,27 -0.399,28 0.216,29 0.342,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.016,41 2.061,42 2.061,44 5.118,45 3.71,46 1.59,47 7.248,48 4.47,49 1,50 1.867,51 2.757,52 1.204,53 4.198,54 34.846,55 1.791,56 0.308,57 21.304,58 3.335,59 -0.432,60 -0.561,61 -0.432,62 0.913,63 0.111,64 9.658,65 4.764,66 3.339,67 5.638}
{0 CHEMBL116816,1 117.376,2 122.652,3 0.295,4 6.173,5 16.724,6 13.775,7 15.338,8 2,9 2,10 3.871,11 18.244,12 8.16,13 2.804,14 12.494,15 2.905,16 2.905,17 23.178,18 10.833,19 0.602,20 22,21 2.565,22 2.565,23 1.5,24 0.928,25 4.333,26 8.471,27 -0.373,28 0.221,29 0.347,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.015,41 2.044,42 2.044,44 5.119,45 3.71,46 1.582,47 7.322,48 4.413,49 1,50 1.85,51 2.709,52 1.204,53 4.267,54 34.99,55 1.711,56 0.397,57 19.678,58 3.36,59 -0.407,60 -0.499,61 -0.407,62 1.192,63 0.111,64 9.723,65 4.658,66 3.315,67 5.523}
{0 CHEMBL117750,1 102.49,2 113.176,3 0.448,4 6.519,5 16.906,6 13.955,7 15.506,8 2,9 2,10 4.047,11 18.419,12 8.239,13 2.956,14 12.645,15 3.085,16 3.085,17 25.218,18 11.007,19 0.629,20 33,21 3.444,22 3.444,23 2.313,24 1.094,25 4.356,26 8.813,27 0.019,28 0.227,29 0.355,30 6.693,31 10.815,32 10.815,33 6.693,34 10.815,35 3.142,36 3.142,37 5.142,38 18.041,39 3.142,40 0.016,41 2.091,42 2.091,44 5.169,45 4.128,46 1.588,47 7.662,48 4.867,49 1,50 1.879,51 2.852,52 1.229,53 4.476,54 36.095,55 2.302,56 0.543,57 31.887,58 3.568,59 0.021,60 0.026,61 0.021,62 0.89,63 0.115,64 10.057,65 5.155,66 3.384,67 7.229}
{0 CHEMBL119,1 117.376,2 103.699,3 0.451,4 6.523,5 17.085,6 14.09,7 15.651,8 2,9 2,10 4.004,11 18.615,12 8.304,13 2.881,14 12.745,15 3.061,16 3.061,17 27.046,18 11.105,19 0.604,20 33,21 3.553,22 3.553,23 2.75,24 0.991,25 4.348,26 8.823,27 0.051,28 0.221,29 0.347,30 6.835,31 11.231,32 11.231,33 6.835,34 11.231,35 3.212,36 3.212,37 5.212,38 18.467,39 3.212,40 0.015,41 2.061,42 2.061,44 5.265,45 4.248,46 1.59,47 7.67,48 4.746,49 1,50 1.867,51 2.834,52 1.287,53 4.42,54 36.51,55 2.333,56 0.379,57 27.898,58 3.588,59 0.054,60 0.067,61 0.054,62 0.85,63 0.115,64 10.074,65 5.037,66 3.389,67 6.585}
{0 CHEMBL123231,1 105.614,2 70.802,3 0.458,4 6.225,5 16.01,6 13.253,7 14.741,8 1,9 1,10 3.907,11 17.457,12 8.06,13 2.879,14 12.086,15 2.927,16 2.927,17 32.347,18 10.515,19 0.437,20 203.485,21 5.121,22 5.121,23 2.569,24 0.998,25 5.056,26 9.016,27 1,28 0.165,29 0.266,30 6.907,31 11.603,32 11.603,33 6.907,34 11.603,35 3.278,36 3.278,37 5.278,38 18.899,39 3.278,40 0.018,41 2.398,42 2.398,43 2,44 5.323,45 4.645,46 1.675,47 7.837,48 4.843,49 5,50 2.154,51 3.222,52 1.38,53 4.239,54 36.827,55 2.276,56 0.881,57 28.756,58 3.745,59 1,60 1.246,61 1,62 0.987,63 0.117,64 10.261,65 5.059,66 3.715,67 5.301}
{0 CHEMBL1237205,1 117.376,2 124.915,3 0.467,4 6.139,5 17.003,6 14.016,7 15.573,8 2,9 2,10 3.911,11 18.534,12 7.94,13 2.901,14 12.687,15 2.915,16 2.915,17 18.491,18 11.056,19 0.494,20 170.309,21 5.091,22 5.091,23 2.597,24 1.031,25 4.997,26 8.872,27 0.797,28 0.189,29 0.305,30 6.786,31 11.135,32 11.135,33 6.786,34 11.135,35 3.198,36 3.198,37 5.198,38 18.028,39 3.198,40 0.017,41 2.299,42 2.299,43 2,44 5.248,45 4.645,46 1.71,47 7.684,48 4.738,49 2,50 2.147,51 3.222,52 1.224,53 4.265,54 36.21,55 1.907,56 0.87,57 23.813,58 3.69,59 0.815,60 1.158,61 0.815,62 0.973,63 0.145,64 10.099,65 4.92,66 3.716,67 5.357}
{0 CHEMBL124256,1 86.378,2 127.231,3 0.617,4 6.116,5 17.171,6 14.149,7 15.73,8 1,9 1,10 3.887,11 18.724,12 8.871,13 2.873,14 12.821,15 2.892,16 2.892,17 29.419,18 11.162,19 0.403,20 160.801,21 5.12,22 5.12,23 2.729,24 0.972,25 4.909,26 8.974,27 1.127,28 0.154,29 0.25,30 6.929,31 11.69,32 11.69,33 6.929,34 11.69,35 3.285,36 3.285,37 5.285,38 18.888,39 3.285,40 0.017,41 2.405,42 2.405,43 2,44 5.321,45 4.781,46 1.896,47 7.794,48 5.146,49 5,50 2.17,51 3.34,52 1.289,53 4.206,54 36.903,55 2.308,56 0.761,57 38.494,58 4.066,59 1.128,60 1.5,61 1.128,62 1.097,63 0.157,64 10.233,65 5.364,66 3.874,67 4.721}
{0 CHEMBL124631,1 134.162,2 113.176,3 0.507,4 6.116,5 16.685,6 13.754,7 15.31,8 2,9 2,10 3.887,11 18.204,12 12.256,13 2.873,14 12.494,15 2.892,16 2.892,17 21.774,18 10.851,19 0.452,20 160.801,21 5.12,22 5.12,23 1.813,24 1.125,25 4.845,26 8.675,27 0.713,28 0.177,29 0.289,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.013,41 2.289,42 2.289,43 2,44 5.113,45 4.645,46 1.692,47 7.509,48 4.752,49 4,50 2.153,51 3.233,52 1.295,53 4.207,54 34.944,55 2.16,56 0.848,57 26.485,58 3.662,59 0.722,60 0.841,61 0.722,62 1.015,63 0.161,64 9.906,65 4.969,66 3.803,67 7.367}
{0 CHEMBL1254767,1 182.239,2 140.798,3 0.342,4 6.502,5 17.46,6 14.424,7 15.987,8 3,9 2,10 4.021,11 18.999,12 16.293,13 2.899,14 13.017,15 3.078,16 3.078,17 18.948,18 11.391,19 0.541,20 44.313,21 2.565,22 2.565,23 1.563,24 0.829,25 4.564,26 8.956,27 -0.425,28 0.205,29 0.329,30 7.111,31 11.657,32 11.657,33 7.111,34 11.657,35 3.313,36 3.313,37 5.313,38 18.551,39 3.313,40 0.015,41 2.039,42 2.039,44 5.31,45 3.71,46 1.312,47 7.751,48 4.062,49 1,50 1.803,51 2.887,52 1.163,53 4.541,54 36.961,55 1.56,56 0.371,57 14.862,58 3.346,59 -0.465,60 -0.592,61 -0.465,62 1.053,63 0.1,64 10.204,65 4.297,66 3.39,67 5.602}
{0 CHEMBL1254855,1 150.947,2 144.134,3 0.342,4 6.502,5 17.46,6 14.424,7 15.987,8 2,9 2,10 4.021,11 18.999,12 16.232,13 2.899,14 13.017,15 3.078,16 3.078,17 19.198,18 11.391,19 0.541,20 83.409,21 2.565,22 2.565,23 1.563,24 0.828,25 4.561,26 8.956,27 -0.425,28 0.205,29 0.329,30 7.111,31 11.657,32 11.657,33 7.111,34 11.657,35 3.313,36 3.313,37 5.313,38 18.551,39 3.313,40 0.015,41 2.039,42 2.039,44 5.31,45 3.71,46 1.298,47 7.751,48 4.049,49 1,50 1.803,51 2.887,52 1.155,53 4.541,54 36.961,55 1.56,56 0.422,57 14.639,58 3.35,59 -0.465,60 -0.592,61 -0.465,62 1.04,63 0.103,64 10.204,65 4.273,66 3.39,67 5.699}
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{0 CHEMBL135987,1 99.365,2 103.699,3 0.245,4 5.969,5 15.469,6 12.733,7 14.275,8 2,9 2,10 3.691,11 16.935,12 7.926,13 2.627,14 11.652,15 2.725,16 2.725,17 15.589,18 9.975,19 0.901,20 11,21 0.918,22 0.918,23 0.938,24 1.251,25 4.242,26 7.967,27 -0.972,28 0.314,29 0.477,30 6.229,31 9.355,32 9.355,33 6.229,34 9.355,35 2.953,36 2.953,37 4.953,38 15.803,39 2.953,40 0.016,41 1.502,42 1.502,44 5.004,45 2.98,46 1.408,47 6.804,48 4.222,49 2,50 1.271,51 2.377,52 1.256,53 4.117,54 33.722,55 0.996,56 0.367,57 16.824,58 2.523,59 -1,60 -1.359,61 -1,62 1.188,63 0.114,64 9.226,65 4.525,66 2.974,67 4.55}
{0 CHEMBL136925,1 132.263,2 103.699,3 0.332,4 5.97,5 15.481,6 12.756,7 14.29,8 2,9 2,10 3.68,11 16.943,12 7.815,13 2.593,14 11.678,15 2.73,16 2.73,17 16.379,18 10.02,19 0.835,20 36.145,21 1.367,22 1.367,23 0.938,24 1.074,25 4.286,26 8.042,27 -0.97,28 0.296,29 0.455,30 6.23,31 9.359,32 9.359,33 6.23,34 9.359,35 2.955,36 2.955,37 4.955,38 15.812,39 2.955,40 0.014,41 1.584,42 1.584,44 4.994,45 3.034,46 1.407,47 6.88,48 4.254,49 2,50 1.429,51 2.485,52 1.206,53 4.119,54 33.729,55 1.076,56 0.382,57 16.452,58 2.887,59 -1,60 -1.29,61 -1,62 0.993,63 0.139,64 9.287,65 4.499,66 3.099,67 4.1}
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{0 CHEMBL138500,1 102.49,2 36.963,3 0.165,4 5.725,5 15.027,6 12.398,7 13.881,10 3.491,11 16.446,12 3.983,13 2.348,14 11.364,15 2.576,16 2.576,17 13.067,18 9.764,19 0.826,20 25.145,21 2.136,22 2.136,23 1.979,24 1.063,25 4.539,26 8.491,27 -0.946,28 0.278,29 0.416,30 6.909,31 11.585,32 11.585,33 6.909,34 11.585,35 3.271,36 3.271,37 5.271,38 18.633,39 3.271,40 0.012,41 1.81,42 1.81,44 5.368,45 3.247,46 1.314,47 7.277,48 4.157,50 1.329,51 2.42,52 1.128,53 3.935,54 36.747,55 1.196,56 0.305,57 17.413,58 2.429,59 -1,60 -1.253,61 -1,62 0.398,63 0.059,64 9.768,65 4.433,66 2.913,67 4.161}
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{0 CHEMBL171757,1 154.072,2 103.699,3 0.672,4 6.193,5 16.706,6 13.779,7 15.331,8 2,9 2,10 3.913,11 18.221,12 16.991,13 2.878,14 12.52,15 2.934,16 2.934,17 27.874,18 10.882,19 0.501,20 160.801,21 5.121,22 5.121,23 2.313,24 0.988,25 4.958,26 8.811,27 1.056,28 0.188,29 0.301,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.015,41 2.334,42 2.334,43 2,44 5.109,45 4.645,46 1.899,47 7.647,48 5.272,49 10,50 2.154,51 3.256,52 1.404,53 4.24,54 35.115,55 2.28,56 0.835,57 45.347,58 4.233,59 1.059,60 1.434,61 1.059,62 1.09,63 0.205,64 10.058,65 5.514,66 3.844,67 7.921}
{0 CHEMBL17235,1 117.376,2 96.486,3 0.255,4 6.31,5 17.027,6 14.025,7 15.585,8 2,9 2,10 3.865,11 18.556,12 7.911,13 2.596,14 12.667,15 2.982,16 2.982,17 18.77,18 11.031,19 0.643,20 9.507,21 2.138,22 2.138,23 2.222,24 1.021,25 4.351,26 8.665,27 -0.425,28 0.233,29 0.364,30 6.78,31 11.108,32 11.108,33 6.78,34 11.108,35 3.189,36 3.189,37 5.189,38 17.998,39 3.189,40 0.022,41 1.98,42 1.98,44 5.236,45 3.59,46 1.267,47 7.445,48 3.872,49 1,50 1.626,51 2.642,52 1.12,53 4.362,54 36.181,55 1.494,56 0.359,57 10.359,58 3.735,59 -0.476,60 -0.588,61 -0.476,62 0.989,63 0.088,64 9.904,65 4.033,66 3.186,67 4.602}
{0 CHEMBL173271,1 135.387,2 103.699,3 0.507,4 6.116,5 15.872,6 13.127,7 14.623,8 2,9 2,10 3.887,11 17.32,12 8.195,13 2.873,14 11.986,15 2.892,16 2.892,17 27.585,18 10.401,19 0.452,20 160.801,21 5.12,22 5.12,23 1.813,24 1.102,25 4.901,26 8.675,27 0.713,28 0.177,29 0.289,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.013,41 2.289,42 2.289,43 2,44 5.113,45 4.645,46 1.713,47 7.509,48 4.899,49 6,50 2.153,51 3.233,52 1.429,53 4.206,54 34.944,55 2.16,56 0.87,57 32.301,58 3.675,59 0.722,60 0.788,61 0.722,62 1.016,63 0.15,64 9.906,65 5.144,66 3.803,67 7.149}
{0 CHEMBL17383,1 135.387,2 115.439,3 0.408,4 6.116,5 16.927,6 13.935,7 15.495,8 2,9 2,10 3.886,11 18.461,12 7.892,13 2.868,14 12.603,15 2.892,16 2.892,17 25.778,18 10.971,19 0.472,20 170.309,21 4.968,22 4.968,23 2.222,24 1.016,25 5.006,26 8.768,27 0.575,28 0.183,29 0.298,30 6.78,31 11.107,32 11.107,33 6.78,34 11.107,35 3.188,36 3.188,37 5.188,38 17.998,39 3.188,40 0.016,41 2.28,42 2.28,43 2,44 5.236,45 4.645,46 1.629,47 7.588,48 4.642,49 3,50 2.142,51 3.208,52 1.222,53 4.206,54 36.155,55 1.832,56 0.898,57 21.945,58 3.628,59 0.609,60 0.716,61 0.609,62 1.01,63 0.17,64 10.004,65 4.823,66 3.715,67 6.252}
{0 CHEMBL18898,1 145.32,2 103.699,3 0.155,4 5.475,5 15.287,6 12.578,7 14.134,8 2,9 2,10 3.538,11 16.761,12 7.858,13 2.437,14 11.548,15 2.596,16 2.596,17 13.413,18 9.856,19 0.906,21 -0.797,22 -0.797,23 1.063,24 0.688,25 4.088,26 7.793,27 -1.251,28 0.318,29 0.484,30 6.096,31 8.889,32 8.889,33 6.096,34 8.889,35 2.897,36 2.897,37 4.897,38 15.214,39 2.897,40 0.023,41 1.414,42 1.414,44 4.931,45 2.359,46 1.234,47 6.605,48 3.572,49 1,50 1.123,51 2.258,52 1.208,53 4.007,54 32.82,55 0.876,56 0.163,57 17.392,58 2.581,59 -1.414,60 -1.868,61 -1.414,62 0.954,63 0.071,64 9.035,65 3.826,66 2.878,67 6.23}
{0 CHEMBL18912,1 123.046,2 94.223,3 0.373,4 6.088,5 16.072,6 13.277,7 14.779,8 2,9 2,10 3.816,11 17.529,12 7.684,13 2.743,14 12.078,15 2.857,16 2.857,17 21.517,18 10.485,19 0.815,20 75.892,21 2.424,22 2.424,23 1.625,24 0.981,25 4.572,26 8.346,27 -0.768,28 0.291,29 0.45,30 6.442,31 9.93,32 9.93,33 6.442,34 9.93,35 3.029,36 3.029,37 5.029,38 16.491,39 3.029,40 0.024,41 2.023,42 2.023,44 5.072,45 3.611,46 1.405,47 7.172,48 4.172,49 1,50 1.708,51 2.652,52 1.222,53 4.236,54 34.595,55 1.587,56 0.511,57 15.646,58 3.233,59 -0.782,60 -1.047,61 -0.782,62 0.868,63 0.108,64 9.567,65 4.419,66 3.186,67 6}
{0 CHEMBL18925,1 168.958,2 94.223,3 0.616,4 6.204,5 16.777,6 13.852,7 15.397,8 2,9 2,10 3.945,11 18.287,12 16.096,13 2.895,14 12.578,15 2.963,16 2.963,17 25.734,18 10.951,19 0.474,20 160.801,21 5.12,22 5.12,23 2.125,24 1.028,25 5.186,26 8.79,27 0.708,28 0.183,29 0.297,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.014,41 2.37,42 2.37,43 2,44 5.103,45 4.645,46 1.621,47 7.612,48 4.692,49 3,50 2.154,51 3.233,52 1.221,53 4.316,54 35.053,55 2.431,56 1.163,57 23.427,58 3.873,59 0.756,60 0.892,61 0.756,62 1.307,63 0.167,64 10.014,65 4.889,66 3.79,67 8.456}
{0 CHEMBL18967,1 99.365,2 103.699,3 0.186,4 5.562,5 15.312,6 12.602,7 14.155,8 2,9 2,10 3.593,11 16.784,12 7.86,13 2.526,14 11.567,15 2.633,16 2.633,17 16.082,18 9.878,19 0.87,20 11,21 0.616,22 0.616,23 1.063,24 1.09,25 4.22,26 7.838,27 -1.22,28 0.308,29 0.472,30 6.097,31 8.895,32 8.895,33 6.097,34 8.895,35 2.9,36 2.9,37 4.9,38 15.223,39 2.9,40 0.022,41 1.423,42 1.423,44 4.936,45 2.68,46 1.395,47 6.676,48 3.894,49 1,50 1.186,51 2.419,52 1.204,53 4.032,54 32.866,55 0.916,56 0.28,57 12.056,58 2.405,59 -1.285,60 -1.754,61 -1.285,62 1.354,63 0.094,64 9.084,65 4.181,66 2.98,67 5.93}
{0 CHEMBL19023,1 99.365,2 103.699,3 0.233,4 5.462,5 15.283,6 12.581,7 14.134,8 2,9 2,10 3.567,11 16.755,12 7.855,13 2.505,14 11.555,15 2.605,16 2.605,17 16.082,18 9.867,19 0.819,20 11,21 0.57,22 0.57,23 0.813,24 0.894,25 4.091,26 7.827,27 -1.165,28 0.297,29 0.46,30 6.094,31 8.876,32 8.876,33 6.094,34 8.876,35 2.894,36 2.894,37 4.894,38 15.193,39 2.894,40 0.02,41 1.419,42 1.419,44 4.93,45 2.654,46 1.372,47 6.676,48 3.715,49 1,50 1,51 2.514,52 1.204,53 4.007,54 32.798,55 0.996,56 0.11,57 9.494,58 2.51,59 -1.257,60 -1.594,61 -1.257,62 0.804,63 0.094,64 9.07,65 3.984,66 3.061,67 6.25}
{0 CHEMBL19113,1 117.376,2 103.699,3 0.233,4 5.519,5 15.311,6 12.619,7 14.163,8 2,9 2,10 3.624,11 16.778,12 7.837,13 2.574,14 11.593,15 2.651,16 2.651,17 18.608,18 9.924,19 0.74,20 25.145,21 1.072,22 1.072,23 1.063,24 1.019,25 4.301,26 7.928,27 -1,28 0.274,29 0.433,30 6.094,31 8.877,32 8.877,33 6.094,34 8.877,35 2.895,36 2.895,37 4.895,38 15.194,39 2.895,40 0.026,41 1.815,42 1.815,44 4.932,45 3.056,46 1.395,47 6.763,48 3.934,49 1,50 1.317,51 2.721,52 1.211,53 4.033,54 32.827,55 1.156,56 0.156,57 12.349,58 2.678,59 -1,60 -1.449,61 -1,62 0.967,63 0.086,64 9.161,65 4.234,66 3.186,67 6.05}
{0 CHEMBL19227,1 168.958,2 94.223,3 0.538,4 6.418,5 16.791,6 13.862,7 15.409,8 2,9 2,10 3.995,11 18.302,12 16.148,13 2.898,14 12.584,15 3.013,16 3.013,17 27.406,18 10.955,19 0.473,20 160.801,21 5.129,22 5.129,23 2.375,24 1.031,25 5.186,26 8.796,27 0.674,28 0.182,29 0.297,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.017,41 2.29,42 2.29,43 2,44 5.103,45 4.737,46 1.618,47 7.621,48 4.7,49 3,50 2.151,51 3.248,52 1.221,53 4.361,54 35.262,55 2.351,56 1.325,57 23.611,58 3.798,59 0.722,60 0.841,61 0.722,62 1.238,63 0.167,64 10.024,65 4.893,66 3.793,67 8.328}
{0 CHEMBL19293,1 145.32,2 103.699,3 0.233,4 5.39,5 15.259,6 12.558,7 14.114,8 2,9 2,10 3.515,11 16.734,12 7.854,13 2.429,14 11.536,15 2.568,16 2.568,17 13.413,18 9.844,19 0.873,21 -0.237,22 -0.237,23 0.813,24 1.045,25 3.94,26 7.781,27 -1.261,28 0.311,29 0.476,30 6.094,31 8.875,32 8.875,33 6.094,34 8.875,35 2.893,36 2.893,37 4.893,38 15.192,39 2.893,40 0.022,41 1.414,42 1.414,44 4.927,45 2.359,46 1.227,47 6.605,48 3.557,49 1,50 1,51 2.399,52 1.207,53 3.982,54 32.776,55 0.956,56 0.112,57 10.294,58 3.37,59 -1.414,60 -1.856,61 -1.414,62 1.245,63 0.071,64 9.021,65 3.836,66 2.953,67 6.21}
{0 CHEMBL193275,1 117.376,2 115.439,3 0.408,4 6.116,5 16.927,6 13.935,7 15.495,8 2,9 2,10 3.887,11 18.46,12 8.001,13 2.873,14 12.604,15 2.892,16 2.892,17 23.342,18 10.971,19 0.42,20 170.309,21 5.021,22 5.021,23 2.347,24 1.085,25 4.806,26 8.768,27 0.817,28 0.167,29 0.276,30 6.78,31 11.107,32 11.107,33 6.78,34 11.107,35 3.187,36 3.187,37 5.187,38 17.997,39 3.187,40 0.015,41 2.332,42 2.332,43 2,44 5.236,45 4.645,46 1.782,47 7.588,48 4.827,49 6,50 2.154,51 3.32,52 1.358,53 4.206,54 36.154,55 1.832,56 0.898,57 29.15,58 3.706,59 0.833,60 1.177,61 0.833,62 0.92,63 0.183,64 10.01,65 5.046,66 3.865,67 5}
{0 CHEMBL19383,1 102.49,2 103.699,3 0.264,4 5.924,5 15.341,6 12.64,7 14.183,8 2,9 2,10 3.705,11 16.807,12 7.912,13 2.624,14 11.6,15 2.752,16 2.752,17 18.285,18 9.928,19 0.793,21 0.91,22 0.91,23 1.063,24 0.864,25 4,26 8.024,27 -1,28 0.289,29 0.451,30 6.096,31 8.882,32 8.882,33 6.096,34 8.882,35 2.901,36 2.901,37 4.901,38 15.202,39 2.901,40 0.019,41 1.444,42 1.444,44 4.938,45 3,46 1.417,47 6.849,48 3.838,49 1,50 1.164,51 2.53,52 1.22,53 4.082,54 33.031,55 1.036,56 0.092,57 10.593,58 2.639,59 -1,60 -1.5,61 -1,62 0.703,63 0.083,64 9.245,65 4.109,66 3.087,67 6.17}
{0 CHEMBL19406,1 99.365,2 103.699,3 0.155,4 5.475,5 15.287,6 12.578,7 14.134,8 2,9 2,10 3.58,11 16.761,12 7.882,13 2.548,14 11.548,15 2.596,16 2.596,17 14.194,18 9.856,19 0.906,21 -0.797,22 -0.797,23 1.063,24 0.767,25 4.082,26 7.793,27 -1.377,28 0.318,29 0.484,30 6.096,31 8.889,32 8.889,33 6.096,34 8.889,35 2.897,36 2.897,37 4.897,38 15.214,39 2.897,40 0.023,41 1.414,42 1.414,44 4.935,45 2.359,46 1.378,47 6.605,48 3.701,49 1,50 1.177,51 2.258,52 1.232,53 4.007,54 32.82,55 0.876,56 0.064,57 9.13,58 2.016,59 -1.414,60 -1.868,61 -1.414,62 0.737,63 0.065,64 9.035,65 3.968,66 2.878,67 5.78}
{0 CHEMBL19414,1 105.035,2 103.699,3 0.264,4 5.924,5 15.743,6 13.003,7 14.511,8 2,9 2,10 3.718,11 17.19,12 7.712,13 2.655,14 11.869,15 2.752,16 2.752,17 16.722,18 10.252,19 0.793,20 50.747,21 0.91,22 0.91,23 1.063,24 1.039,25 4.03,26 8.024,27 -1,28 0.289,29 0.451,30 6.096,31 8.882,32 8.882,33 6.096,34 8.882,35 2.901,36 2.901,37 4.901,38 15.202,39 2.901,40 0.019,41 1.444,42 1.444,44 4.94,45 3,46 1.245,47 6.849,48 3.754,49 1,50 1.212,51 2.53,52 1.211,53 4.213,54 33.031,55 1.036,56 0.312,57 10.278,58 2.691,59 -1,60 -1.66,61 -1,62 1.023,63 0.1,64 9.245,65 4.009,66 3.087,67 6}
{0 CHEMBL19633,1 99.365,2 94.223,3 0.28,4 6.072,5 15.635,6 12.892,7 14.415,8 2,9 2,10 3.762,11 17.091,12 7.878,13 2.66,14 11.777,15 2.817,16 2.817,17 19.002,18 10.135,19 0.839,20 22,21 0.814,22 0.814,23 1.25,24 1.141,25 4.093,26 8.12,27 -0.883,28 0.299,29 0.462,30 6.181,31 9.196,32 9.196,33 6.181,34 9.196,35 2.946,36 2.946,37 4.946,38 15.554,39 2.946,40 0.024,41 1.609,42 1.609,44 4.979,45 2.944,46 1.571,47 6.969,48 4.152,49 1,50 1.319,51 2.505,52 1.206,53 4.195,54 33.682,55 1.227,56 0.349,57 15.937,58 2.882,59 -0.923,60 -1.217,61 -0.923,62 1.165,63 0.111,64 9.352,65 4.45,66 3.089,67 6.92}
{0 CHEMBL19672,1 132.263,2 136.597,3 0.233,4 5.39,5 15.259,6 12.558,7 14.114,8 3,9 3,10 3.546,11 16.734,12 7.823,13 2.507,14 11.536,15 2.568,16 2.568,17 14.931,18 9.844,19 0.873,21 -0.237,22 -0.237,23 0.813,24 1.031,25 3.84,26 7.781,27 -1.353,28 0.311,29 0.476,30 6.094,31 8.875,32 8.875,33 6.094,34 8.875,35 2.893,36 2.893,37 4.893,38 15.192,39 2.893,40 0.022,41 1.414,42 1.414,44 4.929,45 2.359,46 1.246,47 6.605,48 3.7,49 1,50 1,51 2.399,52 1.204,53 3.982,54 32.776,55 0.956,56 0.109,57 9.75,58 2.277,59 -1.414,60 -1.856,61 -1.414,62 1.02,63 0.067,64 9.021,65 4.009,66 2.953,67 5.47}
{0 CHEMBL19771,1 99.365,2 103.699,3 0.264,4 6.094,5 15.36,6 12.683,7 14.208,8 2,9 2,10 3.844,11 16.817,12 7.622,13 2.537,14 11.644,15 2.891,16 2.891,17 16.958,18 10.006,19 0.728,20 11,21 1.118,22 1.118,23 1.313,24 0.886,25 4.091,26 8.571,27 -0.7,28 0.271,29 0.428,30 6.455,31 10.195,32 10.195,33 6.455,34 10.195,35 3.139,36 3.139,37 5.139,38 16.517,39 3.139,40 0.029,41 1.956,42 1.956,44 4.978,45 3.197,46 1.232,47 7.38,48 3.752,49 1,50 1.317,51 2.709,52 1.204,53 4.188,54 34.95,55 1.316,56 0.399,57 9.52,58 2.865,59 -1,60 -1,61 -1,62 1.18,63 0.094,64 9.779,65 4.002,66 3.18,67 6.3}
{0 CHEMBL19772,1 99.365,2 103.699,3 0.155,4 5.475,5 15.287,6 12.578,7 14.134,8 2,9 2,10 3.558,11 16.761,12 7.694,13 2.492,14 11.548,15 2.596,16 2.596,17 13.397,18 9.856,19 0.906,21 -0.797,22 -0.797,23 1.063,24 0.955,25 4.088,26 7.793,27 -1.304,28 0.318,29 0.484,30 6.096,31 8.889,32 8.889,33 6.096,34 8.889,35 2.897,36 2.897,37 4.897,38 15.214,39 2.897,40 0.023,41 1.414,42 1.414,44 4.933,45 2.359,46 1.235,47 6.605,48 3.607,49 1,50 1.165,51 2.258,52 1.198,53 4.007,54 32.82,55 0.876,56 0.33,57 9.013,58 1.985,59 -1.414,60 -1.868,61 -1.414,62 1.231,63 0.071,64 9.035,65 3.879,66 2.878,67 5.38}
{0 CHEMBL19780,1 99.365,2 103.699,3 0.233,4 5.39,5 15.259,6 12.558,7 14.114,8 2,9 2,10 3.533,11 16.734,12 7.724,13 2.474,14 11.536,15 2.568,16 2.568,17 13.397,18 9.844,19 0.873,21 -0.237,22 -0.237,23 0.813,24 0.944,25 3.94,26 7.781,27 -1.315,28 0.311,29 0.476,30 6.094,31 8.875,32 8.875,33 6.094,34 8.875,35 2.893,36 2.893,37 4.893,38 15.192,39 2.893,40 0.022,41 1.414,42 1.414,44 4.928,45 2.359,46 1.23,47 6.605,48 3.573,49 1,50 1,51 2.399,52 1.199,53 3.982,54 32.776,55 0.956,56 0.159,57 8.56,58 2.389,59 -1.414,60 -1.856,61 -1.414,62 0.999,63 0.071,64 9.021,65 3.858,66 2.953,67 5.67}
{0 CHEMBL19790,1 99.365,2 103.699,3 0.373,4 6.093,5 15.593,6 12.871,7 14.386,8 2,9 2,10 3.842,11 17.044,12 7.535,13 2.744,14 11.767,15 2.883,16 2.883,17 16.224,18 10.139,19 0.857,21 0.856,22 0.856,23 1.438,24 0.763,25 4.082,26 8.76,27 -0.729,28 0.304,29 0.467,30 7.116,31 11.69,32 11.69,33 7.116,34 11.69,35 3.32,36 3.32,37 5.32,38 18.672,39 3.32,40 0.027,41 1.584,42 1.584,44 5.251,45 3.02,46 1.236,47 7.535,48 3.774,49 1,50 1.282,51 2.439,52 1.22,53 4.241,54 36.897,55 1.173,56 0.346,57 9.063,58 3.162,59 -1,60 -1,61 -1,62 0.793,63 0.065,64 9.998,65 4.006,66 3,67 6.16}
{0 CHEMBL20129,1 102.49,2 37.905,3 0.259,4 5.917,5 15.291,6 12.6,7 14.085,10 3.615,11 16.719,13 2.542,14 11.502,15 2.659,16 2.659,17 18.642,18 9.91,19 0.62,20 11,21 2.656,22 2.656,23 2.563,24 0.889,25 3.96,26 8.938,27 -0.255,28 0.239,29 0.388,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.018,41 1.904,42 1.904,44 5.534,45 3.541,46 1.862,47 7.748,48 4.78,49 8,50 1.643,51 3.065,52 1.41,53 4.02,54 38.935,55 1.218,56 0.329,57 27.461,58 3.293,59 -0.281,60 -0.328,61 -0.281,62 1.006,63 0.167,64 10.239,65 5.058,66 3.569,67 5.64}
{0 CHEMBL20224,1 102.49,2 101.973,3 0.264,4 5.917,5 15.427,6 12.752,7 14.289,10 3.667,11 16.888,13 2.651,14 11.741,15 2.678,16 2.678,17 16.888,18 10.073,19 0.636,20 22,21 2.649,22 2.649,23 2.5,24 0.709,25 4.024,26 8.999,27 -0.413,28 0.23,29 0.358,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.016,41 2.177,42 2.177,44 5.535,45 3.559,46 1.503,47 7.816,48 4.484,49 1,50 1.638,51 2.672,52 1.226,53 4.031,54 38.935,55 1.369,56 0.204,57 29.205,58 3.48,59 -0.413,60 -0.517,61 -0.413,62 1.028,63 0.085,64 10.291,65 4.725,66 3.243,67 6.76}
{0 CHEMBL20368,1 186.295,2 66.334,3 0.451,4 6.159,5 15.968,6 13.254,7 14.74,10 3.962,11 17.401,13 2.963,14 12.126,15 2.96,16 2.96,17 28.611,18 10.542,19 0.578,20 50.29,21 4.851,22 4.851,23 3.25,24 0.945,25 4.4,26 9.229,27 0.199,28 0.213,29 0.337,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.016,41 2.325,42 2.325,44 5.535,45 4.744,46 1.531,47 8.04,48 4.84,49 1,50 2.107,51 2.856,52 1.209,53 4.337,54 38.939,55 2.231,56 0.592,57 29.737,58 3.645,59 0.213,60 0.254,61 0.213,62 0.83,63 0.107,64 10.491,65 5.099,66 3.405,67 5.68}
{0 CHEMBL20424,1 102.49,2 123.191,3 0.339,4 6.168,5 15.868,6 13.155,7 14.702,10 3.887,11 17.337,13 2.874,14 12.116,15 2.895,16 2.895,17 20.795,18 10.432,19 0.459,20 11,21 4.359,22 4.359,23 2.875,24 0.909,25 4.073,26 9.152,27 0.542,28 0.172,29 0.275,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.015,41 2.299,42 2.299,44 5.535,45 4.39,46 1.868,47 7.976,48 4.757,49 1,50 2.024,51 3.002,52 1.198,53 4.266,54 38.939,55 1.591,56 0.378,57 26.452,58 3.517,59 0.607,60 0.717,61 0.607,62 0.715,63 0.086,64 10.443,65 4.997,66 3.56,67 6.69}
{0 CHEMBL2051989,1 153.398,2 103.699,3 0.613,4 6.188,5 15.913,6 13.172,7 14.661,8 2,9 2,10 3.926,11 17.358,12 8.148,13 2.886,14 12.024,15 2.931,16 2.931,17 32.176,18 10.447,19 0.489,20 160.801,21 5.121,22 5.121,23 2.313,24 1.021,25 5.072,26 8.809,27 0.914,28 0.187,29 0.302,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.018,41 2.333,42 2.333,43 2,44 5.113,45 4.645,46 1.827,47 7.647,48 5.095,49 5,50 2.154,51 3.263,52 1.413,53 4.238,54 35.103,55 2.28,56 0.936,57 39.387,58 3.899,59 1,60 1.066,61 1,62 1.125,63 0.154,64 10.036,65 5.352,66 3.798,67 6.921}
{0 CHEMBL2051990,1 150.947,2 103.699,3 0.613,4 6.188,5 16.705,6 13.779,7 15.331,8 2,9 2,10 3.926,11 18.221,12 16.74,13 2.886,14 12.518,15 2.931,16 2.931,17 22.987,18 10.882,19 0.489,20 160.801,21 5.121,22 5.121,23 2.313,24 1.035,25 5.09,26 8.809,27 0.914,28 0.187,29 0.302,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.018,41 2.333,42 2.333,43 2,44 5.113,45 4.645,46 1.831,47 7.647,48 4.918,49 4,50 2.154,51 3.263,52 1.364,53 4.239,54 35.103,55 2.28,56 0.875,57 31.125,58 3.889,59 1,60 1.324,61 1,62 1.151,63 0.164,64 10.036,65 5.14,66 3.798,67 7.637}
{0 CHEMBL2051991,1 152.172,2 103.699,3 0.613,4 6.188,5 16.016,6 13.26,7 14.755,8 2,9 2,10 3.926,11 17.466,12 8.059,13 2.886,14 12.108,15 2.931,16 2.931,17 28.655,18 10.522,19 0.489,20 160.801,21 5.121,22 5.121,23 2.313,24 1.024,25 5.066,26 8.809,27 0.914,28 0.187,29 0.302,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.018,41 2.333,42 2.333,43 2,44 5.113,45 4.645,46 1.825,47 7.647,48 5.019,49 5,50 2.154,51 3.263,52 1.369,53 4.239,54 35.103,55 2.28,56 0.911,57 35.808,58 3.895,59 1,60 1.106,61 1,62 1.125,63 0.159,64 10.036,65 5.261,66 3.798,67 6.921}
{0 CHEMBL20587,1 102.49,2 37.905,3 0.259,4 5.917,5 15.291,6 12.6,7 14.085,10 3.644,11 16.719,13 2.621,14 11.501,15 2.659,16 2.659,17 16.888,18 9.91,19 0.661,21 2.621,22 2.621,23 2.563,24 0.897,25 3.902,26 8.938,27 -0.255,28 0.251,29 0.403,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.019,41 1.884,42 1.884,44 5.535,45 3.49,46 1.855,47 7.748,48 4.811,49 8,50 1.654,51 3.023,52 1.421,53 4.02,54 38.935,55 1.218,56 0.213,57 27.355,58 3.23,59 -0.281,60 -0.328,61 -0.281,62 0.917,63 0.153,64 10.236,65 5.106,66 3.479,67 6.27}
{0 CHEMBL20812,1 120.5,2 75.81,3 0.295,4 5.917,5 15.604,6 12.932,7 14.44,10 3.705,11 17.047,13 2.639,14 11.883,15 2.742,16 2.742,17 27.634,18 10.26,19 0.56,20 36.145,21 4.417,22 4.417,23 3.063,24 0.909,25 4.542,26 9.088,27 -0.147,28 0.209,29 0.331,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.019,41 2.272,42 2.272,44 5.535,45 4.368,46 1.703,47 7.906,48 4.697,49 1,50 2.026,51 2.882,52 1.19,53 4.1,54 38.936,55 1.68,56 0.433,57 25.327,58 3.441,59 -0.151,60 -0.184,61 -0.151,62 0.789,63 0.093,64 10.368,65 4.94,66 3.469,67 6.61}
{0 CHEMBL20861,1 108.16,2 37.905,3 0.137,4 6.031,5 15.755,6 13.017,7 14.479,10 3.758,11 17.176,13 2.701,14 11.825,15 2.788,16 2.788,17 18.204,18 10.28,19 1.084,20 50.747,21 0.636,22 0.636,23 2.688,24 0.835,25 3.908,26 9.006,27 -1,28 0.356,29 0.526,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.504,36 3.504,37 5.504,38 21.408,39 3.504,40 0.035,41 1.821,42 1.821,44 5.535,45 3.428,46 1.417,47 7.811,48 4.016,50 1.277,51 2.187,52 1.154,53 4.244,54 38.937,55 1.258,56 0.517,57 12.954,58 2.15,59 -1,60 -1.219,61 -1,62 0.396,63 0.059,64 10.275,65 4.25,66 2.789,67 4.74}
{0 CHEMBL20874,1 102.49,2 37.905,3 0.122,4 5.916,5 15.289,6 12.597,7 14.081,10 3.633,11 16.716,13 2.61,14 11.494,15 2.649,16 2.649,17 16.888,18 9.908,19 1.12,21 0.574,22 0.574,23 2.563,24 0.812,25 3.898,26 8.936,27 -1,28 0.364,29 0.534,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.026,41 1.721,42 1.721,44 5.535,45 3.079,46 1.499,47 7.748,48 4.153,49 1,50 1.191,51 2.147,52 1.227,53 4.015,54 38.935,55 1.218,56 0.141,57 14.668,58 1.985,59 -1,60 -1.191,61 -1,62 0.731,63 0.053,64 10.216,65 4.437,66 2.745,67 5.4}
{0 CHEMBL20922,1 102.49,2 75.81,3 0.37,4 5.917,5 15.563,6 12.89,7 14.405,10 3.672,11 17.009,13 2.627,14 11.85,15 2.701,16 2.701,17 24.433,18 10.213,19 0.502,20 11,21 3.111,22 3.111,23 2.563,24 0.878,25 4.427,26 9.056,27 0.199,28 0.192,29 0.311,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.015,41 2.249,42 2.249,44 5.535,45 3.624,46 1.878,47 7.879,48 4.803,49 5,50 2.008,51 3.185,52 1.351,53 4.06,54 38.935,55 1.6,56 0.392,57 28.311,58 3.451,59 0.213,60 0.254,61 0.213,62 0.765,63 0.129,64 10.346,65 5.047,66 3.65,67 6.09}
{0 CHEMBL2092925,1 117.376,2 124.915,3 0.467,4 6.139,5 17.003,6 14.016,7 15.573,8 2,9 2,10 3.911,11 18.534,12 7.94,13 2.901,14 12.687,15 2.915,16 2.915,17 18.491,18 11.056,19 0.494,20 170.309,21 5.091,22 5.091,23 2.597,24 1.031,25 4.997,26 8.872,27 0.797,28 0.189,29 0.305,30 6.786,31 11.135,32 11.135,33 6.786,34 11.135,35 3.198,36 3.198,37 5.198,38 18.028,39 3.198,40 0.017,41 2.299,42 2.299,43 2,44 5.248,45 4.645,46 1.71,47 7.684,48 4.738,49 2,50 2.147,51 3.222,52 1.224,53 4.265,54 36.21,55 1.907,56 0.87,57 23.813,58 3.69,59 0.815,60 1.158,61 0.815,62 0.973,63 0.145,64 10.099,65 4.92,66 3.716,67 4.076}
{0 CHEMBL20975,1 102.49,2 85.286,3 0.264,4 5.917,5 15.427,6 12.752,7 14.289,10 3.621,11 16.888,13 2.528,14 11.741,15 2.678,16 2.678,17 18.53,18 10.073,19 0.636,21 2.649,22 2.649,23 2.5,24 0.842,25 4.024,26 8.999,27 -0.381,28 0.23,29 0.358,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.016,41 2.177,42 2.177,44 5.541,45 3.559,46 1.5,47 7.816,48 4.409,49 1,50 1.585,51 2.672,52 1.187,53 4.031,54 38.935,55 1.369,56 0.136,57 25.536,58 3.248,59 -0.413,60 -0.517,61 -0.413,62 0.98,63 0.085,64 10.291,65 4.638,66 3.243,67 6}
{0 CHEMBL21031,1 102.49,2 85.286,3 0.264,4 5.917,5 15.427,6 12.752,7 14.289,10 3.646,11 16.888,13 2.6,14 11.741,15 2.678,16 2.678,17 18.53,18 10.073,19 0.636,21 2.649,22 2.649,23 2.5,24 0.765,25 4.024,26 8.999,27 -0.381,28 0.23,29 0.358,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.016,41 2.177,42 2.177,44 5.535,45 3.559,46 1.504,47 7.816,48 4.483,49 1,50 1.617,51 2.672,52 1.207,53 4.031,54 38.935,55 1.369,56 0.195,57 23.341,58 3.256,59 -0.413,60 -0.517,61 -0.413,62 0.948,63 0.085,64 10.291,65 4.728,66 3.243,67 6.55}
{0 CHEMBL21032,1 102.49,2 37.905,3 0.259,4 5.917,5 15.291,6 12.6,7 14.084,10 3.615,11 16.719,13 2.542,14 11.5,15 2.659,16 2.659,17 18.642,18 9.91,19 0.761,20 11,21 2.297,22 2.297,23 2.563,24 0.867,25 4.153,26 8.938,27 -0.582,28 0.279,29 0.437,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.02,41 1.829,42 1.829,44 5.534,45 3.435,46 1.761,47 7.748,48 4.545,49 5,50 1.594,51 2.848,52 1.347,53 4.02,54 38.935,55 1.218,56 0.322,57 22.223,58 3.118,59 -0.638,60 -0.692,61 -0.638,62 1.096,63 0.137,64 10.231,65 4.806,66 3.288,67 5.69}
{0 CHEMBL21254,1 102.49,2 37.905,3 0.259,4 5.917,5 15.291,6 12.6,7 14.085,10 3.644,11 16.719,13 2.621,14 11.503,15 2.659,16 2.659,17 16.888,18 9.91,19 0.552,21 2.806,22 2.806,23 2.563,24 0.911,25 3.693,26 8.938,27 0.113,28 0.219,29 0.361,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.017,41 1.931,42 1.931,44 5.535,45 3.577,46 1.889,47 7.748,48 4.996,49 11,50 1.741,51 3.217,52 1.441,53 4.02,54 38.935,55 1.218,56 0.236,57 32.287,58 3.38,59 0.113,60 0.117,61 0.113,62 0.923,63 0.176,64 10.244,65 5.298,66 3.73,67 5.67}
{0 CHEMBL21258,1 151.792,2 112.909,3 0.358,4 7.111,5 17.129,6 14.137,7 15.677,8 1,10 4.228,11 18.655,13 3,14 12.762,15 3.313,16 3.313,17 25.874,18 11.171,19 0.548,20 44.313,21 4.671,22 4.671,23 3.063,24 0.774,25 4.452,26 9.425,27 -0.255,28 0.206,29 0.328,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.018,41 2.303,42 2.303,44 5.535,45 4.579,46 1.521,47 8.222,48 4.622,49 1,50 2.027,51 2.914,52 1.211,53 4.621,54 39.051,55 1.68,56 0.373,57 24.668,58 3.518,59 -0.28,60 -0.328,61 -0.28,62 0.713,63 0.094,64 10.692,65 4.863,66 3.449,67 5.59}
{0 CHEMBL21395,1 99.365,2 141.604,3 0.382,4 6.075,5 15.738,6 13.011,7 14.571,8 2,9 2,10 3.772,11 17.215,12 8.004,13 2.669,14 11.97,15 2.827,16 2.827,17 23.311,18 10.269,19 0.562,20 22,21 3.132,22 3.132,23 1.188,24 1.015,25 4.454,26 8.26,27 -0.041,28 0.208,29 0.329,30 6.194,31 9.273,32 9.273,33 6.194,34 9.273,35 2.954,36 2.954,37 4.954,38 15.647,39 2.954,40 0.016,41 2,42 2,44 4.985,45 3.636,46 1.768,47 7.111,48 4.667,49 3,50 1.55,51 2.955,52 1.21,53 4.2,54 33.788,55 1.298,56 0.326,57 24.26,58 3.543,59 -0.044,60 -0.052,61 -0.044,62 0.917,63 0.14,64 9.535,65 4.902,66 3.465,67 6.51}
{0 CHEMBL22,1 99.365,2 84.747,3 0.326,4 6.088,5 15.956,6 13.159,7 14.673,8 2,9 2,10 3.809,11 17.417,12 7.9,13 2.72,14 11.973,15 2.856,16 2.856,17 21.921,18 10.355,19 0.879,20 33,21 0.887,22 0.887,23 1.813,24 1.278,25 3.9,26 8.356,27 -0.637,28 0.308,29 0.47,30 6.525,31 10.267,32 10.267,33 6.525,34 10.267,35 3.072,36 3.072,37 5.072,38 17.188,39 3.072,40 0.025,41 1.999,42 1.999,44 5.093,45 3.009,46 1.574,47 7.209,48 4.519,49 1,50 1.32,51 2.475,52 1.208,53 4.228,54 35.034,55 1.538,56 0.601,57 23.618,58 3.155,59 -0.694,60 -0.878,61 -0.694,62 1.206,63 0.125,64 9.591,65 4.826,66 3.08,67 6.88}
{0 CHEMBL22146,1 99.365,2 141.604,3 0.382,4 6.074,5 15.736,6 13.009,7 14.569,8 2,9 2,10 3.769,11 17.213,12 7.971,13 2.667,14 11.968,15 2.824,16 2.824,17 22.233,18 10.268,19 0.551,20 22,21 3.129,22 3.129,23 1.188,24 1.055,25 4.33,26 8.256,27 -0.159,28 0.206,29 0.327,30 6.188,31 9.236,32 9.236,33 6.188,34 9.236,35 2.951,36 2.951,37 4.951,38 15.607,39 2.951,40 0.016,41 1.999,42 1.999,44 4.983,45 3.636,46 1.573,47 7.111,48 4.552,49 2,50 1.527,51 2.939,52 1.209,53 4.198,54 33.743,55 1.298,56 0.35,57 22.009,58 3.41,59 -0.17,60 -0.205,61 -0.17,62 1.098,63 0.128,64 9.524,65 4.796,66 3.458,67 6.5}
{0 CHEMBL223279,1 117.376,2 115.439,3 0.474,4 6.116,5 16.927,6 13.935,7 15.495,8 2,9 2,10 3.887,11 18.46,12 7.977,13 2.873,14 12.604,15 2.892,16 2.892,17 23.342,18 10.971,19 0.444,20 170.309,21 5.011,22 5.011,23 2.347,24 1.009,25 4.845,26 8.768,27 0.789,28 0.174,29 0.286,30 6.78,31 11.107,32 11.107,33 6.78,34 11.107,35 3.187,36 3.187,37 5.187,38 17.997,39 3.187,40 0.014,41 2.315,42 2.315,43 2,44 5.236,45 4.645,46 1.742,47 7.588,48 4.733,49 5,50 2.153,51 3.222,52 1.326,53 4.206,54 36.154,55 1.752,56 0.849,57 25.43,58 3.709,59 0.806,60 1.079,61 0.806,62 1.048,63 0.175,64 10.007,65 4.934,66 3.794,67 4.959}
{0 CHEMBL225072,1 101.265,2 79.85,3 0.408,4 6.116,5 16.927,6 13.935,7 15.495,8 1,9 1,10 3.887,11 18.461,12 7.797,13 2.873,14 12.603,15 2.892,16 2.892,17 20.768,18 10.971,19 0.472,20 203.485,21 4.968,22 4.968,23 2.222,24 1.019,25 4.888,26 8.768,27 0.59,28 0.183,29 0.298,30 6.78,31 11.107,32 11.107,33 6.78,34 11.107,35 3.188,36 3.188,37 5.188,38 17.998,39 3.188,40 0.016,41 2.28,42 2.28,43 2,44 5.224,45 4.645,46 1.733,47 7.588,48 4.674,49 4,50 2.14,51 3.208,52 1.283,53 4.206,54 36.155,55 1.832,56 0.83,57 22.898,58 3.628,59 0.609,60 0.716,61 0.609,62 0.954,63 0.167,64 10.004,65 4.859,66 3.715,67 5.638}
{0 CHEMBL22708,1 87.603,2 70.802,3 0.523,4 6.142,5 15.909,6 13.167,7 14.657,8 1,9 1,10 3.906,11 17.354,12 8.054,13 2.879,14 12.019,15 2.92,16 2.92,17 27.381,18 10.442,19 0.473,20 203.485,21 5.121,22 5.121,23 2.313,24 0.943,25 5.023,26 8.788,27 0.96,28 0.182,29 0.297,30 6.503,31 10.18,32 10.18,33 6.503,34 10.18,35 3.084,36 3.084,37 5.084,38 17.074,39 3.084,40 0.018,41 2.329,42 2.329,43 2,44 5.121,45 4.645,46 1.702,47 7.612,48 4.945,49 6,50 2.154,51 3.248,52 1.455,53 4.233,54 35.027,55 2.28,56 0.804,57 32.96,58 3.774,59 1,60 1.064,61 1,62 0.929,63 0.145,64 10.011,65 5.178,66 3.801,67 4.796}
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{0 CHEMBL23021,1 134.162,2 94.223,3 0.38,4 6.174,5 16.992,6 13.993,7 15.562,8 2,9 2,10 3.859,11 18.528,12 12.49,13 2.767,14 12.659,15 2.905,16 2.905,17 23.752,18 11.007,19 0.632,20 22,21 3.51,22 3.51,23 2.188,24 0.971,25 4.58,26 8.682,27 -0.11,28 0.229,29 0.357,30 6.835,31 11.231,32 11.231,33 6.835,34 11.231,35 3.212,36 3.212,37 5.212,38 18.468,39 3.212,40 0.016,41 2.054,42 2.054,44 5.26,45 4.223,46 1.592,47 7.526,48 4.519,49 1,50 1.821,51 2.713,52 1.228,53 4.267,54 36.329,55 1.862,56 0.427,57 21.455,58 3.506,59 -0.116,60 -0.142,61 -0.116,62 1.076,63 0.106,64 9.934,65 4.758,66 3.298,67 7.409}
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{0 CHEMBL23594,1 122.4,2 70.802,3 0.656,4 6.193,5 16.017,6 13.261,7 14.758,8 1,9 1,10 3.913,11 17.468,12 7.697,13 2.872,14 12.114,15 2.933,16 2.933,17 31.512,18 10.523,19 0.499,20 203.485,21 5.121,22 5.121,23 2.313,24 0.945,25 5.19,26 8.811,27 0.91,28 0.189,29 0.305,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.017,41 2.334,42 2.334,43 2,44 5.105,45 4.645,46 1.707,47 7.647,48 4.906,49 5,50 2.154,51 3.254,52 1.223,53 4.241,54 35.114,55 2.28,56 0.931,57 29.129,58 3.96,59 1,60 1.193,61 1,62 0.991,63 0.167,64 10.043,65 5.111,66 3.791,67 4.301}
{0 CHEMBL25889,1 54.706,2 66.334,3 0.656,4 6.193,5 16.706,6 13.78,7 15.332,10 3.914,11 18.222,12 8.297,13 2.883,14 12.522,15 2.933,16 2.933,17 26.498,18 10.882,19 0.499,20 203.485,21 5.121,22 5.121,23 2.313,24 0.96,25 5.117,26 8.811,27 0.97,28 0.189,29 0.305,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.017,41 2.334,42 2.334,43 2,44 5.124,45 4.645,46 1.742,47 7.647,48 4.908,49 4,50 2.155,51 3.254,52 1.255,53 4.241,54 35.114,55 2.28,56 0.734,57 29.301,58 3.95,59 1,60 1.396,61 1,62 1.073,63 0.164,64 10.043,65 5.108,66 3.791,67 4.456}
{0 CHEMBL265493,1 99.365,2 113.176,3 0.139,4 5.321,5 15.102,6 12.391,7 13.982,8 2,9 2,10 3.442,11 16.599,12 7.837,13 2.409,14 11.411,15 2.463,16 2.463,17 11.769,18 9.665,19 0.926,21 -0.913,22 -0.913,23 0.75,24 0.948,25 3.704,26 7.623,27 -1.397,28 0.324,29 0.491,30 6.093,31 8.872,32 8.872,33 6.093,34 8.872,35 2.889,36 2.889,37 4.889,38 15.188,39 2.889,40 0.017,41 1.338,42 1.338,44 4.924,45 2.359,46 1.235,47 6.447,48 3.543,49 1,50 1,51 2.232,52 1.203,53 3.867,54 32.76,55 0.764,56 0.089,57 8.189,58 1.71,59 -1.525,60 -2,61 -1.525,62 0.941,63 0.071,64 8.897,65 3.843,66 2.848,67 5.2}
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{0 CHEMBL267499,1 102.49,2 37.905,3 0.106,4 5.905,5 15.263,6 12.573,7 14.058,10 3.572,11 16.691,13 2.5,14 11.473,15 2.614,16 2.614,17 14.878,18 9.886,19 1.188,21 -0.812,22 -0.812,23 2.563,24 0.807,25 3.873,26 8.921,27 -1.239,28 0.379,29 0.549,30 7.517,31 13.405,32 13.405,33 7.517,34 13.405,35 3.503,36 3.503,37 5.503,38 21.404,39 3.503,40 0.021,41 1.675,42 1.675,44 5.534,45 3.076,46 1.417,47 7.724,48 3.771,50 1.161,51 2.092,52 1.141,53 3.989,54 38.935,55 1.178,56 0.376,57 11.933,58 1.529,59 -1.367,60 -1.63,61 -1.367,62 0.51,63 0.031,64 10.2,65 4.072,66 2.615,67 4.88}
{0 CHEMBL267692,1 102.49,2 37.905,3 0.16,4 7.114,5 15.576,6 12.867,7 14.328,10 4.302,11 16.993,13 3.236,14 11.707,15 3.307,16 3.307,17 19.314,18 10.162,19 1.069,21 0.638,22 0.638,23 2.938,24 0.78,25 3.534,26 9.345,27 -1,28 0.353,29 0.523,30 7.518,31 13.409,32 13.409,33 7.518,34 13.409,35 3.509,36 3.509,37 5.509,38 21.417,39 3.509,40 0.042,41 1.928,42 1.928,44 5.544,45 3.434,46 1.499,47 8.131,48 4.393,50 1.413,51 2.202,52 1.292,53 4.422,54 39.058,55 1.396,56 0.123,57 18.451,58 2.574,59 -1,60 -1,61 -1,62 1.065,63 0.045,64 10.609,65 4.657,66 2.802,67 4.52}
{0 CHEMBL267890,1 102.49,2 70.802,3 0.523,4 6.116,5 15.964,6 13.204,7 14.697,8 1,9 1,10 3.887,11 17.414,12 8.089,13 2.873,14 12.044,15 2.892,16 2.892,17 28.138,18 10.465,19 0.474,20 203.485,21 5.12,22 5.12,23 2.5,24 0.954,25 5.104,26 8.874,27 0.79,28 0.183,29 0.298,30 6.882,31 11.484,32 11.484,33 6.882,34 11.484,35 3.23,36 3.23,37 5.23,38 18.728,39 3.23,40 0.016,41 2.34,42 2.34,43 2,44 5.277,45 4.645,46 1.762,47 7.724,48 5.049,49 6,50 2.154,51 3.223,52 1.476,53 4.206,54 36.643,55 2.431,56 0.937,57 37.291,58 3.79,59 0.817,60 0.887,61 0.817,62 1.037,63 0.154,64 10.114,65 5.292,66 3.79,67 4.721}
{0 CHEMBL268414,1 102.49,2 37.905,3 0.106,4 5.905,5 15.263,6 12.573,7 14.058,10 3.544,11 16.691,13 2.421,14 11.473,15 2.614,16 2.614,17 15.011,18 9.886,19 1.188,21 -0.812,22 -0.812,23 2.563,24 0.802,25 3.873,26 8.921,27 -1.027,28 0.379,29 0.549,30 7.517,31 13.405,32 13.405,33 7.517,34 13.405,35 3.503,36 3.503,37 5.503,38 21.404,39 3.503,40 0.021,41 1.675,42 1.675,44 5.534,45 3.076,46 1.417,47 7.724,48 3.68,50 1.06,51 2.092,52 1.153,53 3.989,54 38.935,55 1.178,56 0.079,57 73.054,58 2.714,59 -1.367,60 -1.63,61 -1.367,62 0.751,63 0.031,64 10.2,65 3.952,66 2.615,67 5.18}
{0 CHEMBL268914,1 133.549,2 37.905,3 0.122,4 5.916,5 15.357,6 12.659,7 14.146,10 3.632,11 16.785,13 2.604,14 11.554,15 2.649,16 2.649,17 16.575,18 9.959,19 1.12,21 0.574,22 0.574,23 2.563,24 0.769,25 3.953,26 8.936,27 -1,28 0.364,29 0.534,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.026,41 1.721,42 1.721,44 5.535,45 3.079,46 1.417,47 7.748,48 3.826,50 1.189,51 2.147,52 1.15,53 4.088,54 38.935,55 1.218,56 0.162,57 10.423,58 1.773,59 -1,60 -1.31,61 -1,62 0.653,63 0.03,64 10.216,65 4.101,66 2.745,67 5.31}
{0 CHEMBL269704,1 102.49,2 66.334,3 0.358,4 5.952,5 15.789,6 13.084,7 14.584,10 3.747,11 17.227,13 2.593,14 11.984,15 2.834,16 2.834,17 22.962,18 10.376,19 0.598,20 11,21 3.526,22 3.526,23 2.875,24 0.795,25 4.355,26 9.119,27 -0.255,28 0.219,29 0.345,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.019,41 2.251,42 2.251,44 5.534,45 4.043,46 1.501,47 7.926,48 4.446,49 1,50 1.876,51 2.828,52 1.158,53 4.217,54 38.936,55 1.751,56 0.355,57 19.741,58 3.587,59 -0.281,60 -0.328,61 -0.281,62 0.959,63 0.085,64 10.391,65 4.666,66 3.352,67 5.57}
{0 CHEMBL274031,1 99.365,2 151.081,3 0.234,4 5.584,5 15.448,6 12.756,7 14.35,8 2,9 2,10 3.621,11 16.945,12 7.971,13 2.55,14 11.798,15 2.664,16 2.664,17 19.314,18 10.047,19 0.548,20 11,21 2.643,22 2.643,23 1,24 0.999,25 4.058,26 8.015,27 -0.431,28 0.206,29 0.328,30 6.097,31 8.897,32 8.897,33 6.097,34 8.897,35 2.901,36 2.901,37 4.901,38 15.225,39 2.901,40 0.014,41 1.94,42 1.94,44 4.937,45 3.496,46 1.458,47 6.862,48 4.344,49 2,50 1.48,51 2.877,52 1.208,53 4.045,54 32.905,55 1.067,56 0.271,57 17.393,58 3.119,59 -0.45,60 -0.555,61 -0.45,62 1.11,63 0.116,64 9.302,65 4.589,66 3.403,67 6.15}
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{0 CHEMBL282932,1 102.49,2 75.81,3 0.295,4 5.917,5 15.583,6 12.904,7 14.419,10 3.689,11 17.029,13 2.64,14 11.855,15 2.72,16 2.72,17 24.433,18 10.22,19 0.597,20 11,21 2.712,22 2.712,23 2.813,24 0.878,25 4.289,26 9.058,27 -0.255,28 0.219,29 0.345,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.017,41 2.211,42 2.211,44 5.535,45 3.585,46 1.727,47 7.879,48 4.642,49 2,50 1.936,51 2.828,52 1.207,53 4.081,54 38.936,55 1.6,56 0.343,57 23.977,58 3.343,59 -0.281,60 -0.328,61 -0.281,62 0.755,63 0.094,64 10.341,65 4.898,66 3.357,67 6.33}
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{0 CHEMBL283916,1 102.49,2 75.81,3 0.267,4 5.889,5 15.538,6 12.869,7 14.385,10 3.645,11 16.984,13 2.581,14 11.831,15 2.69,16 2.69,17 20.955,18 10.196,19 0.561,21 2.629,22 2.629,23 2.688,24 0.721,25 4.272,26 9.041,27 -0.343,28 0.21,29 0.334,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.025,41 2.24,42 2.24,44 5.535,45 3.547,46 1.536,47 7.858,48 4.431,49 1,50 1.816,51 2.857,52 1.209,53 4.058,54 38.93,55 1.64,56 0.112,57 20.612,58 3.468,59 -0.362,60 -0.452,61 -0.362,62 1.196,63 0.08,64 10.323,65 4.71,66 3.341,67 5.55}
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{0 CHEMBL299863,1 120.5,2 103.699,3 0.521,4 6.452,5 16.105,6 13.346,7 14.826,8 2,9 2,10 3.938,11 17.548,12 8.232,13 2.907,14 12.165,15 2.952,16 2.952,17 30.89,18 10.606,19 0.453,20 185.946,21 5.335,22 5.335,23 3.167,24 0.911,25 5.004,26 9.154,27 1,28 0.17,29 0.272,30 7.101,31 12.293,32 12.293,33 7.101,34 12.293,35 3.373,36 3.373,37 5.373,38 19.884,39 3.373,40 0.02,41 2.398,42 2.398,43 2,44 5.408,45 4.99,46 1.713,47 7.97,48 4.877,49 5,50 2.155,51 3.213,52 1.378,53 4.269,54 37.684,55 2.716,56 0.897,57 29.607,58 3.814,59 1,60 1.27,61 1,62 0.968,63 0.115,64 10.407,65 5.09,66 3.703,67 5.796}
{0 CHEMBL300114,1 99.365,2 101.973,3 0.373,4 6.112,5 16.779,6 13.875,7 15.381,8 2,9 2,10 3.868,11 18.261,12 7.764,13 2.797,14 12.542,15 2.904,16 2.904,17 19.359,18 10.977,19 0.823,20 63.858,21 1.395,22 1.395,23 1.625,24 1.282,25 4.557,26 8.721,27 -0.774,28 0.293,29 0.453,30 6.516,31 10.378,32 10.378,33 6.516,34 10.378,35 3.172,36 3.172,37 5.172,38 16.909,39 3.172,40 0.022,41 1.997,42 1.997,44 5.173,45 3.192,46 1.573,47 7.535,48 4.387,49 1,50 1.396,51 2.517,52 1.207,53 4.282,54 35.261,55 1.627,56 0.712,57 19.584,58 3.435,59 -0.897,60 -1.069,61 -0.897,62 0.892,63 0.128,64 9.929,65 4.595,66 3.117,67 6.67}
{0 CHEMBL300156,1 99.365,2 84.747,3 0.491,4 6.086,5 16.069,6 13.247,7 14.763,8 2,9 2,10 3.796,11 17.535,12 7.966,13 2.706,14 12.036,15 2.844,16 2.844,17 23.355,18 10.418,19 0.876,20 44,21 2.083,22 2.083,23 1.688,24 1.217,25 4.382,26 8.438,27 -0.341,28 0.304,29 0.463,30 6.698,31 10.848,32 10.848,33 6.698,34 10.848,35 3.14,36 3.14,37 5.14,38 18.071,39 3.14,40 0.018,41 1.824,42 1.824,44 5.163,45 3.424,46 1.575,47 7.298,48 4.823,49 3,50 1.42,51 2.642,52 1.212,53 4.221,54 35.804,55 1.618,56 0.75,57 30.389,58 3.573,59 -0.381,60 -0.436,61 -0.381,62 1.109,63 0.17,64 9.694,65 5.081,66 3.167,67 6.26}
{0 CHEMBL301089,1 99.365,2 94.223,3 0.248,4 6.028,5 15.604,6 12.866,7 14.389,8 2,9 2,10 3.742,11 17.06,12 7.775,13 2.646,14 11.756,15 2.795,16 2.795,17 16.845,18 10.114,19 0.84,20 53.683,21 0.672,22 0.672,23 1.25,24 0.82,25 4.39,26 8.077,27 -1.149,28 0.301,29 0.464,30 6.121,31 8.975,32 8.975,33 6.121,34 8.975,35 2.93,36 2.93,37 4.93,38 15.33,39 2.93,40 0.026,41 1.479,42 1.479,44 4.967,45 2.811,46 1.365,47 6.899,48 3.799,49 1,50 1.319,51 2.483,52 1.2,53 4.181,54 33.326,55 1.107,56 0.277,57 10.17,58 2.643,59 -1.23,60 -1.585,61 -1.23,62 0.752,63 0.091,64 9.302,65 4.028,66 3.065,67 6.59}
{0 CHEMBL30370,1 105.614,2 37.905,3 0.184,4 6.02,5 15.316,6 12.663,7 14.125,10 3.747,11 16.729,13 2.653,14 11.576,15 2.795,16 2.795,17 25.458,18 10.021,19 0.542,20 47.145,21 2.683,22 2.683,23 2.75,24 0.74,25 4.454,26 9.075,27 -0.254,28 0.204,29 0.327,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.026,41 2.238,42 2.238,44 5.536,45 3.554,46 1.544,47 7.892,48 4.358,49 5,50 1.697,51 2.858,52 1.2,53 4.017,54 38.931,55 1.489,56 0.368,57 18.039,58 3.275,59 -0.279,60 -0.327,61 -0.279,62 1.061,63 0.077,64 10.357,65 4.59,66 3.425,67 4.27}
{0 CHEMBL30681,1 133.781,2 112.909,3 0.299,4 7.111,5 17.124,6 14.132,7 15.673,8 1,10 4.229,11 18.65,13 3.001,14 12.759,15 3.313,16 3.313,17 23.706,18 11.168,19 0.502,20 55.313,21 4.69,22 4.69,23 2.938,24 0.892,25 4.374,26 9.422,27 -0.246,28 0.193,29 0.313,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.023,41 2.31,42 2.31,44 5.533,45 4.58,46 1.501,47 8.222,48 4.481,49 1,50 2.032,51 3.03,52 1.198,53 4.618,54 39.046,55 1.76,56 0.692,57 21.327,58 3.388,59 -0.268,60 -0.321,61 -0.268,62 0.891,63 0.096,64 10.689,65 4.713,66 3.508,67 5.35}
{0 CHEMBL30734,1 99.365,2 103.699,3 0.155,4 5.475,5 15.287,6 12.578,7 14.134,8 2,9 2,10 3.565,11 16.761,12 7.757,13 2.509,14 11.548,15 2.596,16 2.596,17 13.926,18 9.856,19 0.906,20 42.683,21 -0.797,22 -0.797,23 1.063,24 0.906,25 4.164,26 7.793,27 -1.331,28 0.318,29 0.484,30 6.096,31 8.889,32 8.889,33 6.096,34 8.889,35 2.897,36 2.897,37 4.897,38 15.214,39 2.897,40 0.023,41 1.414,42 1.414,44 4.934,45 2.359,46 1.235,47 6.605,48 3.642,49 1,50 1.17,51 2.258,52 1.199,53 4.007,54 32.82,55 0.876,56 0.253,57 8.94,58 1.987,59 -1.414,60 -1.868,61 -1.414,62 0.841,63 0.069,64 9.035,65 3.894,66 2.878,67 5.82}
{0 CHEMBL30937,1 99.365,2 103.699,3 0.276,4 5.474,5 15.285,6 12.583,7 14.138,8 2,9 2,10 3.575,11 16.758,12 7.965,13 2.509,14 11.562,15 2.615,16 2.615,17 17.161,18 9.869,19 0.565,20 11,21 2.275,22 2.275,23 0.813,24 0.969,25 4.253,26 7.832,27 -0.466,28 0.223,29 0.366,30 6.094,31 8.876,32 8.876,33 6.094,34 8.876,35 2.894,36 2.894,37 4.894,38 15.194,39 2.894,40 0.015,41 1.831,42 1.831,44 4.93,45 3.414,46 1.802,47 6.676,48 4.462,49 7,50 1.388,51 3.121,52 1.375,53 4.011,54 32.806,55 0.996,56 0.182,57 19.986,58 3.105,59 -0.514,60 -0.62,61 -0.514,62 0.855,63 0.18,64 9.126,65 4.747,66 3.626,67 5.37}
{0 CHEMBL31004,1 102.49,2 85.286,3 0.205,4 5.889,5 15.398,6 12.732,7 14.269,10 3.618,11 16.858,13 2.573,14 11.731,15 2.652,16 2.652,17 18.53,18 10.064,19 0.576,21 2.275,22 2.275,23 2.375,24 0.691,25 4.008,26 8.995,27 -0.367,28 0.214,29 0.34,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.022,41 2.223,42 2.223,44 5.533,45 3.531,46 1.506,47 7.816,48 4.328,49 1,50 1.638,51 2.838,52 1.204,53 4.01,54 38.93,55 1.449,56 0.096,57 18.419,58 3.387,59 -0.4,60 -0.484,61 -0.4,62 1.137,63 0.085,64 10.287,65 4.596,66 3.313,67 5.61}
{0 CHEMBL31055,1 132.263,2 103.699,3 0.241,4 5.576,5 15.328,6 12.63,7 14.173,8 2,9 2,10 3.607,11 16.795,12 7.816,13 2.534,14 11.598,15 2.65,16 2.65,17 17.865,18 9.929,19 0.754,20 36.145,21 1.226,22 1.226,23 1.063,24 1.126,25 4.343,26 7.928,27 -0.969,28 0.276,29 0.433,30 6.097,31 8.897,32 8.897,33 6.097,34 8.897,35 2.9,36 2.9,37 4.9,38 15.225,39 2.9,40 0.021,41 1.902,42 1.902,44 4.937,45 3.041,46 1.397,47 6.763,48 4.158,49 2,50 1.327,51 2.709,52 1.205,53 4.039,54 32.88,55 1.076,56 0.383,57 15.4,58 2.797,59 -1,60 -1.294,61 -1,62 1.134,63 0.139,64 9.17,65 4.421,66 3.203,67 5.96}
{0 CHEMBL31235,1 99.365,2 103.699,3 0.229,4 5.573,5 15.314,6 12.605,7 14.159,8 2,9 2,10 3.6,11 16.786,12 8.002,13 2.53,14 11.574,15 2.643,16 2.643,17 17.161,18 9.88,19 0.578,20 11,21 2.617,22 2.617,23 1.063,24 1.02,25 4.243,26 7.843,27 -0.375,28 0.226,29 0.37,30 6.097,31 8.897,32 8.897,33 6.097,34 8.897,35 2.9,36 2.9,37 4.9,38 15.225,39 2.9,40 0.015,41 1.854,42 1.854,44 4.937,45 3.466,46 1.816,47 6.676,48 4.638,49 8,50 1.502,51 3.126,52 1.395,53 4.036,54 32.877,55 0.916,56 0.36,57 23.92,58 3.215,59 -0.386,60 -0.485,61 -0.386,62 1.047,63 0.189,64 9.147,65 4.921,66 3.636,67 5.3}
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{0 CHEMBL31402,1 99.365,2 94.223,3 0.398,4 6.074,5 15.64,6 12.896,7 14.42,8 2,9 2,10 3.768,11 17.097,12 7.965,13 2.664,14 11.784,15 2.824,16 2.824,17 24.84,18 10.137,19 0.729,20 44,21 2.932,22 2.932,23 1.25,24 1.12,25 4.262,26 8.128,27 -0.267,28 0.266,29 0.417,30 6.193,31 9.27,32 9.27,33 6.193,34 9.27,35 2.952,36 2.952,37 4.952,38 15.641,39 2.952,40 0.018,41 1.84,42 1.84,44 4.985,45 3.579,46 1.736,47 6.969,48 4.693,49 5,50 1.414,51 2.889,52 1.21,53 4.198,54 33.775,55 1.227,56 0.458,57 25.523,58 3.544,59 -0.3,60 -0.328,61 -0.3,62 0.956,63 0.2,64 9.403,65 4.924,66 3.395,67 6.51}
{0 CHEMBL31462,1 99.365,2 103.699,3 0.186,4 5.572,5 15.314,6 12.605,7 14.157,8 2,9 2,10 3.62,11 16.786,12 7.905,13 2.581,14 11.57,15 2.641,16 2.641,17 17.157,18 9.88,19 0.826,20 11,21 0.856,22 0.856,23 1.063,24 0.833,25 4.301,26 7.843,27 -0.971,28 0.297,29 0.458,30 6.097,31 8.897,32 8.897,33 6.097,34 8.897,35 2.9,36 2.9,37 4.9,38 15.224,39 2.9,40 0.022,41 1.431,42 1.431,44 4.939,45 2.982,46 1.421,47 6.676,48 3.978,49 2,50 1.203,51 2.483,52 1.24,53 4.036,54 32.876,55 0.916,56 0.074,57 12.113,58 2.66,59 -1,60 -1.337,61 -1,62 0.648,63 0.114,64 9.1,65 4.236,66 3.084,67 5.64}
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{0 CHEMBL31713,1 145.32,2 84.747,3 0.464,4 6.086,5 15.933,6 13.149,7 14.659,8 2,9 2,10 3.794,11 17.391,12 7.977,13 2.654,14 11.976,15 2.851,16 2.851,17 23.767,18 10.367,19 0.632,20 89.828,21 3.586,22 3.586,23 1.938,24 1.174,25 4.77,26 8.373,27 0.07,28 0.24,29 0.386,30 6.434,31 9.88,32 9.88,33 6.434,34 9.88,35 3.049,36 3.049,37 5.049,38 16.814,39 3.049,40 0.022,41 2.107,42 2.107,43 1,44 5.049,45 3.841,46 1.748,47 7.191,48 4.785,49 7,50 1.839,51 3.128,52 1.364,53 4.225,54 34.524,55 1.498,56 0.748,57 40.246,58 4.199,59 0.089,60 0.099,61 0.089,62 1.229,63 0.204,64 9.62,65 5.014,66 3.625,67 9.222}
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{0 CHEMBL31891,1 145.32,2 84.747,3 0.326,4 6.085,5 15.924,6 13.133,7 14.647,8 2,9 2,10 3.793,11 17.384,12 7.899,13 2.652,14 11.952,15 2.85,16 2.85,17 19.546,18 10.335,19 0.885,20 22,21 0.885,22 0.885,23 1.813,24 1.097,25 4.115,26 8.316,27 -0.637,28 0.31,29 0.473,30 6.431,31 9.855,32 9.855,33 6.431,34 9.855,35 3.046,36 3.046,37 5.046,38 16.776,39 3.046,40 0.027,41 1.987,42 1.987,44 5.047,45 2.989,46 1.552,47 7.135,48 4.244,49 1,50 1.312,51 2.441,52 1.211,53 4.225,54 34.491,55 1.338,56 0.506,57 21.236,58 3.695,59 -0.694,60 -0.878,61 -0.694,62 1.45,63 0.111,64 9.541,65 4.512,66 3.013,67 7.614}
{0 CHEMBL31912,1 99.365,2 103.699,3 0.276,4 5.474,5 15.285,6 12.583,7 14.137,8 2,9 2,10 3.575,11 16.758,12 7.953,13 2.509,14 11.561,15 2.615,16 2.615,17 17.161,18 9.869,19 0.597,20 11,21 2.275,22 2.275,23 0.813,24 0.968,25 4.333,26 7.832,27 -0.466,28 0.233,29 0.38,30 6.094,31 8.876,32 8.876,33 6.094,34 8.876,35 2.894,36 2.894,37 4.894,38 15.194,39 2.894,40 0.016,41 1.782,42 1.782,44 4.93,45 3.305,46 1.757,47 6.676,48 4.361,49 6,50 1.324,51 3.118,52 1.347,53 4.011,54 32.806,55 0.996,56 0.185,57 18.18,58 3.046,59 -0.515,60 -0.621,61 -0.515,62 0.989,63 0.17,64 9.118,65 4.641,66 3.537,67 5.73}
{0 CHEMBL31924,1 145.32,2 84.747,3 0.464,4 6.086,5 15.933,6 13.149,7 14.659,8 2,9 2,10 3.794,11 17.391,12 7.931,13 2.654,14 11.975,15 2.851,16 2.851,17 23.767,18 10.367,19 0.704,20 89.828,21 3.252,22 3.252,23 1.938,24 1.212,25 4.858,26 8.373,27 -0.173,28 0.26,29 0.411,30 6.434,31 9.88,32 9.88,33 6.434,34 9.88,35 3.049,36 3.049,37 5.049,38 16.814,39 3.049,40 0.022,41 2.097,42 2.097,43 1,44 5.049,45 3.751,46 1.575,47 7.191,48 4.634,49 5,50 1.839,51 2.936,52 1.281,53 4.225,54 34.524,55 1.498,56 0.661,57 35.293,58 4.166,59 -0.204,60 -0.229,61 -0.204,62 1.334,63 0.188,64 9.61,65 4.86,66 3.456,67 9.699}
{0 CHEMBL31946,1 99.365,2 103.699,3 0.229,4 5.573,5 15.314,6 12.605,7 14.158,8 2,9 2,10 3.6,11 16.786,12 7.941,13 2.53,14 11.571,15 2.643,16 2.643,17 17.161,18 9.88,19 0.734,20 11,21 1.227,22 1.227,23 1.063,24 1.136,25 4.503,26 7.843,27 -0.788,28 0.271,29 0.427,30 6.097,31 8.897,32 8.897,33 6.097,34 8.897,35 2.9,36 2.9,37 4.9,38 15.225,39 2.9,40 0.018,41 1.597,42 1.597,44 4.937,45 3.02,46 1.542,47 6.676,48 4.313,49 4,50 1.324,51 2.746,52 1.246,53 4.036,54 32.877,55 0.916,56 0.281,57 17.397,58 2.854,59 -0.834,60 -0.989,61 -0.834,62 1.082,63 0.146,64 9.117,65 4.582,66 3.278,67 6.13}
{0 CHEMBL32039,1 99.365,2 84.747,3 0.432,4 6.088,5 15.958,6 13.16,7 14.676,8 2,9 2,10 3.81,11 17.42,12 7.94,13 2.721,14 11.976,15 2.857,16 2.857,17 24.84,18 10.356,19 0.8,20 44,21 2.242,22 2.242,23 1.813,24 1.248,25 4.295,26 8.36,27 -0.437,28 0.286,29 0.443,30 6.53,31 10.305,32 10.305,33 6.53,34 10.305,35 3.077,36 3.077,37 5.077,38 17.226,39 3.077,40 0.022,41 2.007,42 2.007,44 5.096,45 3.448,46 1.59,47 7.209,48 4.771,49 3,50 1.468,51 2.939,52 1.209,53 4.229,54 35.085,55 1.538,56 0.676,57 28.892,58 3.438,59 -0.482,60 -0.548,61 -0.482,62 1.001,63 0.17,64 9.611,65 5.039,66 3.296,67 6.26}
{0 CHEMBL32063,1 102.49,2 37.905,3 0.259,4 5.917,5 15.291,6 12.6,7 14.084,10 3.644,11 16.719,13 2.621,14 11.499,15 2.658,16 2.658,17 16.888,18 9.91,19 0.822,21 1.849,22 1.849,23 2.563,24 0.878,25 4.094,26 8.938,27 -0.588,28 0.294,29 0.456,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.021,41 1.799,42 1.799,44 5.535,45 3.435,46 1.727,47 7.748,48 4.584,49 5,50 1.594,51 2.686,52 1.379,53 4.02,54 38.935,55 1.218,56 0.188,57 22.23,58 3.016,59 -0.646,60 -0.693,61 -0.646,62 0.968,63 0.12,64 10.229,65 4.868,66 3.19,67 5.99}
{0 CHEMBL32067,1 99.365,2 146.383,3 0.186,4 5.562,5 15.312,6 12.602,7 14.155,8 2,9 2,10 3.614,11 16.784,12 7.823,13 2.577,14 11.567,15 2.633,16 2.633,17 16.485,18 9.878,19 0.87,20 42.683,21 0.616,22 0.616,23 1.063,24 0.813,25 4.245,26 7.838,27 -1.225,28 0.308,29 0.472,30 6.097,31 8.895,32 8.895,33 6.097,34 8.895,35 2.9,36 2.9,37 4.9,38 15.223,39 2.9,40 0.022,41 1.423,42 1.423,44 4.938,45 2.68,46 1.368,47 6.676,48 3.804,49 2,50 1.192,51 2.419,52 1.236,53 4.032,54 32.866,55 0.916,56 0.092,57 10.279,58 2.497,59 -1.285,60 -1.754,61 -1.285,62 0.802,63 0.094,64 9.084,65 4.068,66 2.98,67 5.67}
{0 CHEMBL320811,1 99.365,2 113.176,3 0.188,4 5.782,5 17.009,6 13.951,7 15.542,8 2,9 2,10 3.585,11 18.567,12 8.299,13 2.552,14 12.578,15 2.613,16 2.613,17 14.458,18 10.901,19 0.78,21 2.136,22 2.136,23 2.104,24 1.069,25 4.041,26 8.486,27 -0.976,28 0.268,29 0.406,30 6.875,31 11.406,32 11.406,33 6.875,34 11.406,35 3.26,36 3.26,37 5.26,38 18.553,39 3.26,40 0.017,41 1.815,42 1.815,44 5.332,45 3.247,46 1.455,47 7.261,48 3.978,49 1,50 1.439,51 2.439,52 1.209,53 3.968,54 36.516,55 1.081,56 0.105,57 12.57,58 2.654,59 -1,60 -1.392,61 -1,62 0.947,63 0.057,64 9.759,65 4.234,66 2.956,67 5.886}
{0 CHEMBL32113,1 119.275,2 103.699,3 0.354,4 6.222,5 16.743,6 13.797,7 15.357,8 2,9 2,10 3.895,11 18.262,12 12.41,13 2.821,14 12.515,15 2.932,16 2.932,17 23.693,18 10.86,19 0.638,20 22,21 3.094,22 3.094,23 1.75,24 1.119,25 4.508,26 8.608,27 -0.187,28 0.23,29 0.358,30 6.521,31 10.241,32 10.241,33 6.521,34 10.241,35 3.104,36 3.104,37 5.104,38 17.135,39 3.104,40 0.015,41 2.1,42 2.1,44 5.136,45 3.981,46 1.592,47 7.445,48 4.641,49 1,50 1.827,51 2.713,52 1.196,53 4.28,54 35.147,55 1.911,56 0.619,57 24.792,58 3.434,59 -0.201,60 -0.233,61 -0.201,62 1.126,63 0.106,64 9.848,65 4.886,66 3.302,67 5.244}
{0 CHEMBL321826,1 99.365,2 113.176,3 0.165,4 5.725,5 17.017,6 13.956,7 15.548,8 2,9 2,10 3.55,11 18.577,12 8.333,13 2.517,14 12.582,15 2.576,16 2.576,17 14.458,18 10.904,19 0.826,21 2.136,22 2.136,23 1.979,24 1.129,25 4.041,26 8.491,27 -0.965,28 0.278,29 0.416,30 6.909,31 11.585,32 11.585,33 6.909,34 11.585,35 3.271,36 3.271,37 5.271,38 18.633,39 3.271,40 0.012,41 1.81,42 1.81,44 5.337,45 3.247,46 1.449,47 7.277,48 4.104,49 1,50 1.457,51 2.42,52 1.229,53 3.943,54 36.747,55 1.196,56 0.152,57 16.253,58 2.395,59 -1,60 -1.371,61 -1,62 0.823,63 0.057,64 9.768,65 4.374,66 2.913,67 4.511}
{0 CHEMBL32266,1 134.162,2 103.699,3 0.311,4 5.787,5 16.689,6 13.738,7 15.305,8 2,9 2,10 3.787,11 18.212,12 12.266,13 2.723,14 12.464,15 2.821,16 2.821,17 24.663,18 10.797,19 0.583,20 22,21 2.565,22 2.565,23 1.75,24 1.248,25 4.404,26 8.404,27 -0.395,28 0.216,29 0.342,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.016,41 2.061,42 2.061,44 5.111,45 3.71,46 1.59,47 7.248,48 4.455,49 1,50 1.867,51 2.757,52 1.17,53 4.198,54 34.846,55 1.791,56 0.376,57 21.417,58 3.35,59 -0.432,60 -0.561,61 -0.432,62 0.902,63 0.114,64 9.658,65 4.755,66 3.339,67 4.77}
{0 CHEMBL32304,1 102.49,2 37.905,3 0.2,4 5.889,5 15.257,6 12.577,7 14.061,10 3.586,11 16.683,13 2.517,14 11.491,15 2.628,16 2.628,17 18.642,18 9.899,19 0.489,20 11,21 2.938,22 2.938,23 2.438,24 0.913,25 3.691,26 8.934,27 0.217,28 0.199,29 0.335,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.022,41 1.941,42 1.941,44 5.533,45 3.559,46 1.871,47 7.748,48 4.895,49 11,50 1.762,51 3.349,52 1.436,53 3.996,54 38.93,55 1.298,56 0.401,57 29.785,58 3.369,59 0.228,60 0.246,61 0.228,62 0.942,63 0.188,64 10.241,65 5.201,66 3.861,67 5.58}
{0 CHEMBL323565,1 117.376,2 115.439,3 0.408,4 6.116,5 16.927,6 13.935,7 15.495,8 2,9 2,10 3.887,11 18.461,12 7.948,13 2.873,14 12.603,15 2.892,16 2.892,17 21.774,18 10.971,19 0.472,20 170.309,21 4.968,22 4.968,23 2.222,24 1.034,25 4.825,26 8.768,27 0.599,28 0.183,29 0.298,30 6.78,31 11.107,32 11.107,33 6.78,34 11.107,35 3.188,36 3.188,37 5.188,38 17.998,39 3.188,40 0.016,41 2.28,42 2.28,43 2,44 5.237,45 4.645,46 1.683,47 7.588,48 4.685,49 4,50 2.146,51 3.208,52 1.284,53 4.206,54 36.155,55 1.832,56 0.872,57 23.629,58 3.623,59 0.609,60 0.716,61 0.609,62 0.992,63 0.167,64 10.004,65 4.871,66 3.715,67 7}
{0 CHEMBL325434,1 102.49,2 122.652,3 0.354,4 6.222,5 16.743,6 13.797,7 15.357,8 2,9 2,10 3.895,11 18.262,12 8.228,13 2.823,14 12.515,15 2.932,16 2.932,17 23.693,18 10.86,19 0.638,20 22,21 3.094,22 3.094,23 1.75,24 0.999,25 4.398,26 8.608,27 -0.187,28 0.23,29 0.358,30 6.521,31 10.241,32 10.241,33 6.521,34 10.241,35 3.104,36 3.104,37 5.104,38 17.135,39 3.104,40 0.015,41 2.1,42 2.1,44 5.142,45 3.981,46 1.592,47 7.445,48 4.653,49 1,50 1.881,51 2.713,52 1.228,53 4.28,54 35.147,55 1.911,56 0.512,57 24.951,58 3.425,59 -0.201,60 -0.233,61 -0.201,62 1.097,63 0.104,64 9.848,65 4.894,66 3.302,67 6.886}
{0 CHEMBL32708,1 134.162,2 103.699,3 0.295,4 6.173,5 16.724,6 13.775,7 15.338,8 2,9 2,10 3.871,11 18.244,12 12.27,13 2.804,14 12.494,15 2.905,16 2.905,17 23.178,18 10.833,19 0.602,20 22,21 2.565,22 2.565,23 1.5,24 1.026,25 4.452,26 8.471,27 -0.371,28 0.221,29 0.347,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.015,41 2.044,42 2.044,44 5.112,45 3.71,46 1.582,47 7.322,48 4.399,49 1,50 1.803,51 2.709,52 1.171,53 4.267,54 34.99,55 1.711,56 0.497,57 19.613,58 3.37,59 -0.407,60 -0.499,61 -0.407,62 1.242,63 0.114,64 9.723,65 4.647,66 3.315,67 5.292}
{0 CHEMBL32793,1 99.365,2 103.699,3 0.276,4 5.474,5 15.285,6 12.583,7 14.137,8 2,9 2,10 3.575,11 16.758,12 7.922,13 2.509,14 11.56,15 2.615,16 2.615,17 17.161,18 9.869,19 0.674,20 11,21 1.438,22 1.438,23 0.813,24 1.065,25 4.403,26 7.832,27 -0.855,28 0.256,29 0.409,30 6.094,31 8.876,32 8.876,33 6.094,34 8.876,35 2.894,36 2.894,37 4.894,38 15.194,39 2.894,40 0.018,41 1.604,42 1.604,44 4.93,45 3.078,46 1.543,47 6.676,48 4.194,49 4,50 1.318,51 2.946,52 1.245,53 4.011,54 32.806,55 0.996,56 0.119,57 15.271,58 2.8,59 -0.904,60 -1.074,61 -0.904,62 0.896,63 0.146,64 9.103,65 4.472,66 3.353,67 6.37}
{0 CHEMBL33014,1 102.49,2 37.905,3 0.2,4 5.889,5 15.257,6 12.577,7 14.06,10 3.614,11 16.683,13 2.595,14 11.488,15 2.628,16 2.628,17 16.888,18 9.899,19 0.607,21 2.275,22 2.275,23 2.438,24 0.865,25 3.833,26 8.934,27 -0.257,28 0.236,29 0.384,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.026,41 1.884,42 1.884,44 5.533,45 3.486,46 1.852,47 7.748,48 4.671,49 8,50 1.662,51 3.053,52 1.421,53 3.996,54 38.93,55 1.298,56 0.152,57 23.263,58 3.169,59 -0.282,60 -0.328,61 -0.282,62 1.078,63 0.153,64 10.231,65 4.984,66 3.55,67 5.79}
{0 CHEMBL33045,1 185.07,2 113.176,3 0.491,4 6.096,5 16.688,6 13.758,7 15.313,8 2,9 2,10 3.885,11 18.206,12 12.156,13 2.879,14 12.498,15 2.883,16 2.883,17 26.187,18 10.856,19 0.437,20 118.118,21 5.17,22 5.17,23 1.813,24 1.092,25 5.17,26 8.672,27 0.668,28 0.172,29 0.283,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.013,41 2.297,42 2.297,43 1,44 5.111,45 4.665,46 1.595,47 7.496,48 4.667,49 3,50 2.158,51 3.406,52 1.205,53 4.212,54 34.924,55 2.08,56 0.685,57 23.753,58 3.702,59 0.707,60 0.834,61 0.707,62 1.036,63 0.143,64 9.902,65 4.893,66 3.863,67 7.174}
{0 CHEMBL33205,1 102.49,2 37.905,3 0.356,4 7.272,5 15.468,6 12.818,7 14.261,10 4.433,11 16.867,13 3.261,14 11.707,15 3.446,16 3.446,17 18.642,18 10.18,19 0.469,20 11,21 6.076,22 6.076,23 3.625,24 0.739,25 4.229,26 9.538,28 0.17,29 0.267,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.504,36 3.504,37 5.504,38 21.406,39 3.504,40 0.018,41 2.306,42 2.306,44 5.544,45 5.061,46 1.637,47 8.375,48 4.758,49 7,50 2,51 2.682,52 1.716,53 4.448,54 39.435,55 1.751,56 0.265,57 26.914,58 3.544,62 1.076,63 0.063,64 10.829,65 4.998,66 3.293,67 5.29}
{0 CHEMBL33208,1 134.162,2 94.223,3 0.373,4 6.502,5 16.844,6 13.894,7 15.449,8 2,9 2,10 4.006,11 18.358,12 12.283,13 2.894,14 12.594,15 3.058,16 3.058,17 26.188,18 10.948,19 0.579,20 33,21 2.565,22 2.565,23 2.063,24 1.329,25 4.289,26 8.643,27 0.019,28 0.214,29 0.339,30 6.523,31 10.257,32 10.257,33 6.523,34 10.257,35 3.081,36 3.081,37 5.081,38 17.178,39 3.081,40 0.017,41 2.061,42 2.061,44 5.113,45 3.811,46 1.59,47 7.496,48 4.688,49 1,50 1.867,51 2.844,52 1.172,53 4.42,54 35.554,55 2.182,56 0.539,57 28.354,58 3.479,59 0.021,60 0.027,61 0.021,62 0.833,63 0.125,64 9.893,65 5.009,66 3.402,67 4.824}
{0 CHEMBL33389,1 135.387,2 108.707,3 0.274,4 5.889,5 15.516,6 12.853,7 14.369,8 1,9 1,10 3.591,11 16.962,13 2.52,14 11.824,15 2.635,16 2.635,17 25.802,18 10.188,19 0.476,20 22,21 3.024,22 3.024,23 2.563,24 0.826,25 3.966,26 9.038,27 -0.115,28 0.185,29 0.303,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.028,41 2.244,42 2.244,44 5.533,45 3.631,46 1.695,47 7.858,48 4.407,49 2,50 1.97,51 3.008,52 1.149,53 4.013,54 38.93,55 1.56,56 0.398,57 19.69,58 3.314,59 -0.125,60 -0.147,61 -0.125,62 0.848,63 0.113,64 10.323,65 4.662,66 3.582,67 5.12}
{0 CHEMBL334565,1 99.365,2 103.699,3 0.198,4 5.903,5 15.432,6 12.701,7 14.245,8 2,9 2,10 3.623,11 16.899,12 7.81,13 2.492,14 11.626,15 2.689,16 2.689,17 12.025,18 9.949,19 0.944,21 -0.241,22 -0.241,23 0.938,24 1.091,25 4.014,26 7.912,27 -1.244,28 0.327,29 0.493,30 6.177,31 9.134,32 9.134,33 6.177,34 9.134,35 2.936,36 2.936,37 4.936,38 15.536,39 2.936,40 0.014,41 1.414,42 1.414,44 4.966,45 2.359,46 1.235,47 6.72,48 3.57,49 1,50 1.218,51 2.227,52 1.204,53 4.091,54 33.342,55 0.956,56 0.15,57 10.969,58 2.183,59 -1.414,60 -1.893,61 -1.414,62 0.976,63 0.071,64 9.153,65 3.839,66 2.845,67 5.02}
{0 CHEMBL335498,1 99.365,2 103.699,3 0.245,4 5.969,5 15.469,6 12.733,7 14.275,8 2,9 2,10 3.675,11 16.935,12 7.907,13 2.59,14 11.652,15 2.725,16 2.725,17 15.676,18 9.975,19 0.901,20 11,21 0.918,22 0.918,23 0.938,24 1.073,25 4.301,26 7.967,27 -0.974,28 0.314,29 0.477,30 6.229,31 9.355,32 9.355,33 6.229,34 9.355,35 2.953,36 2.953,37 4.953,38 15.803,39 2.953,40 0.016,41 1.502,42 1.502,44 4.992,45 2.98,46 1.407,47 6.804,48 4.173,49 2,50 1.271,51 2.377,52 1.208,53 4.117,54 33.722,55 0.996,56 0.176,57 15.635,58 2.555,59 -1,60 -1.359,61 -1,62 1.066,63 0.114,64 9.226,65 4.471,66 2.974,67 4.7}
{0 CHEMBL33558,1 102.49,2 75.81,3 0.42,4 7.116,5 15.804,6 13.109,7 14.601,10 4.318,11 17.238,13 3.262,14 12.009,15 3.319,16 3.319,17 26.858,18 10.412,19 0.577,20 11,21 4.438,22 4.438,23 3.188,24 0.861,25 4.02,26 9.427,27 -0.255,28 0.213,29 0.337,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.018,41 2.302,42 2.302,44 5.535,45 4.501,46 1.82,47 8.222,48 4.746,49 1,50 2.025,51 2.855,52 1.281,53 4.452,54 39.056,55 1.858,56 0.358,57 26.577,58 3.483,59 -0.281,60 -0.328,61 -0.281,62 0.685,63 0.085,64 10.695,65 5.001,66 3.388,67 6.45}
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{0 CHEMBL336725,1 99.365,2 111.449,3 0.432,4 6.157,5 16.728,6 13.818,7 15.329,8 2,9 2,10 3.868,11 18.214,12 7.727,13 2.786,14 12.485,15 2.905,16 2.905,17 14.954,18 10.911,19 0.887,20 52.858,21 1.03,22 1.03,23 1.313,24 0.948,25 4.301,26 8.638,27 -0.967,28 0.309,29 0.471,30 6.515,31 10.372,32 10.372,33 6.515,34 10.372,35 3.168,36 3.168,37 5.168,38 17.031,39 3.168,40 0.022,41 1.558,42 1.558,44 5.173,45 3.098,46 1.407,47 7.445,48 4.212,49 1,50 1.388,51 2.409,52 1.208,53 4.281,54 35.251,55 1.476,56 0.432,57 20.025,58 3.168,59 -1,60 -1.321,61 -1,62 1.066,63 0.114,64 9.852,65 4.467,66 2.994,67 4.07}
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{0 CHEMBL33815,1 170.183,2 113.176,3 0.613,4 6.098,5 16.708,6 13.781,7 15.333,8 2,9 2,10 3.888,11 18.224,12 12.296,13 2.88,14 12.519,15 2.889,16 2.889,17 26.702,18 10.883,19 0.455,20 118.118,21 5.171,22 5.171,23 2.188,24 1.194,25 5.195,26 8.786,27 0.937,28 0.177,29 0.29,30 6.52,31 10.237,32 10.237,33 6.52,34 10.237,35 3.101,36 3.101,37 5.101,38 17.132,39 3.101,40 0.013,41 2.304,42 2.304,43 1,44 5.133,45 4.665,46 1.694,47 7.6,48 4.825,49 3,50 2.158,51 3.4,52 1.21,53 4.217,54 35.06,55 2.28,56 0.781,57 28.74,58 3.794,59 0.997,60 1.329,61 0.997,62 1.099,63 0.136,64 10.007,65 5.068,66 3.86,67 6.77}
{0 CHEMBL34158,1 102.49,2 37.905,3 0.062,4 5.886,5 15.231,6 12.551,7 14.034,10 3.552,11 16.657,13 2.496,14 11.46,15 2.586,16 2.586,17 15.407,18 9.875,19 1.138,20 42.683,21 -0.785,22 -0.785,23 2.438,24 0.797,25 3.828,26 8.918,27 -1.186,28 0.37,29 0.54,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.393,39 3.502,40 0.044,41 1.728,42 1.728,44 5.533,45 3.082,46 1.417,47 7.724,48 3.762,50 1,51 2.108,52 1.142,53 3.967,54 38.93,55 1.258,56 0.252,57 10.63,58 1.69,59 -1.303,60 -1.509,61 -1.303,62 0.654,63 0.03,64 10.195,65 4.051,66 2.704,67 4.91}
{0 CHEMBL34259,1 154.072,2 103.699,3 0.523,4 6.142,5 16.703,6 13.776,7 15.328,8 2,9 2,10 3.905,11 18.219,12 16.522,13 2.876,14 12.515,15 2.92,16 2.92,17 26.293,18 10.878,19 0.473,20 160.801,21 5.121,22 5.121,23 2.313,24 0.939,25 5.113,26 8.788,27 0.911,28 0.182,29 0.297,30 6.503,31 10.18,32 10.18,33 6.503,34 10.18,35 3.084,36 3.084,37 5.084,38 17.074,39 3.084,40 0.018,41 2.329,42 2.329,43 2,44 5.108,45 4.645,46 1.692,47 7.612,48 4.744,49 3,50 2.154,51 3.248,52 1.222,53 4.234,54 35.027,55 2.28,56 0.838,57 24.573,58 3.76,59 1,60 1.279,61 1,62 0.977,63 0.158,64 10.011,65 4.943,66 3.801,67 7.796}
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{0 CHEMBL34396,1 102.49,2 37.905,3 0.243,4 5.917,5 15.291,6 12.6,7 14.084,10 3.615,11 16.718,13 2.542,14 11.498,15 2.658,16 2.658,17 18.642,18 9.91,19 0.963,20 11,21 0.651,22 0.651,23 2.563,24 0.918,25 4.125,26 8.938,27 -0.87,28 0.329,29 0.495,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.024,41 1.757,42 1.757,44 5.534,45 3.377,46 1.5,47 7.748,48 4.334,49 2,50 1.339,51 2.446,52 1.161,53 4.02,54 38.935,55 1.218,56 0.274,57 18.207,58 2.736,59 -0.893,60 -1,61 -0.893,62 0.988,63 0.095,64 10.224,65 4.603,66 2.975,67 5.58}
{0 CHEMBL34627,1 135.387,2 75.81,3 0.267,4 5.93,5 15.663,6 12.992,7 14.492,10 3.794,11 17.099,13 2.8,14 11.929,15 2.789,16 2.789,17 23.619,18 10.317,19 0.512,20 36.145,21 3.003,22 3.003,23 2.688,24 0.894,25 4.247,26 9.113,27 -0.249,28 0.196,29 0.317,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.023,41 2.295,42 2.295,44 5.533,45 3.798,46 1.508,47 7.934,48 4.431,49 1,50 2.029,51 3.032,52 1.165,53 4.167,54 38.931,55 1.72,56 0.507,57 19.732,58 3.217,59 -0.271,60 -0.323,61 -0.271,62 0.901,63 0.098,64 10.385,65 4.674,66 3.506,67 5.63}
{0 CHEMBL34794,1 102.49,2 37.905,3 0.2,4 5.889,5 15.257,6 12.577,7 14.061,10 3.586,11 16.683,13 2.517,14 11.49,15 2.628,16 2.628,17 18.642,18 9.899,19 0.513,20 11,21 2.768,22 2.768,23 2.438,24 0.909,25 3.757,26 8.934,27 0.07,28 0.207,29 0.346,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.023,41 1.931,42 1.931,44 5.533,45 3.544,46 1.866,47 7.748,48 4.831,49 10,50 1.724,51 3.315,52 1.429,53 3.996,54 38.93,55 1.298,56 0.392,57 28.139,58 3.321,59 0.074,60 0.077,61 0.074,62 0.943,63 0.182,64 10.239,65 5.135,66 3.788,67 5.57}
{0 CHEMBL34823,1 99.365,2 94.223,3 0.366,4 5.984,5 15.723,6 12.977,7 14.521,8 2,9 2,10 3.722,11 17.192,12 7.898,13 2.65,14 11.898,15 2.765,16 2.765,17 19.689,18 10.223,19 0.717,20 78.828,21 2.857,22 2.857,23 1.25,24 0.931,25 4.833,26 8.188,27 -0.464,28 0.264,29 0.416,30 6.251,31 9.444,32 9.444,33 6.251,34 9.444,35 2.98,36 2.98,37 4.98,38 15.9,39 2.98,40 0.019,41 2.1,42 2.1,43 1,44 5.025,45 3.511,46 1.571,47 7.034,48 4.407,49 3,50 1.509,51 2.907,52 1.217,53 4.189,54 33.863,55 1.307,56 0.228,57 17.436,58 3.342,59 -0.486,60 -0.567,61 -0.486,62 0.956,63 0.116,64 9.43,65 4.618,66 3.374,67 4.046}
{0 CHEMBL34918,1 118.663,2 99.231,3 0.656,4 6.193,5 16.706,6 13.78,7 15.332,8 1,9 1,10 3.913,11 18.222,12 7.813,13 2.883,14 12.522,15 2.933,16 2.933,17 26.153,18 10.882,19 0.499,20 203.485,21 5.121,22 5.121,23 2.313,24 0.958,25 5.089,26 8.811,27 0.968,28 0.189,29 0.305,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.017,41 2.334,42 2.334,43 2,44 5.122,45 4.645,46 1.684,47 7.647,48 4.855,49 4,50 2.155,51 3.254,52 1.252,53 4.241,54 35.114,55 2.28,56 0.867,57 26.939,58 3.957,59 1,60 1.396,61 1,62 1.061,63 0.169,64 10.043,65 5.05,66 3.791,67 5.585}
{0 CHEMBL350097,1 101.265,2 80.278,3 0.507,4 6.116,5 16.685,6 13.754,7 15.31,8 1,9 1,10 3.887,11 18.204,12 11.874,13 2.873,14 12.494,15 2.892,16 2.892,17 20.768,18 10.851,19 0.452,20 203.485,21 5.12,22 5.12,23 1.813,24 1.111,25 4.862,26 8.675,27 0.712,28 0.177,29 0.289,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.013,41 2.289,42 2.289,43 2,44 5.109,45 4.645,46 1.681,47 7.509,48 4.725,49 4,50 2.153,51 3.233,52 1.294,53 4.207,54 34.944,55 2.16,56 0.917,57 25.28,58 3.668,59 0.722,60 0.841,61 0.722,62 1.013,63 0.164,64 9.906,65 4.928,66 3.803,67 4.31}
{0 CHEMBL36623,1 119.275,2 89.755,3 0.507,4 6.116,5 16.685,6 13.754,7 15.31,8 1,9 1,10 3.886,11 18.204,12 11.969,13 2.868,14 12.494,15 2.892,16 2.892,17 24.772,18 10.851,19 0.452,20 203.485,21 5.12,22 5.12,23 1.813,24 0.932,25 4.965,26 8.675,27 0.675,28 0.177,29 0.289,30 6.502,31 10.175,32 10.175,33 6.502,34 10.175,35 3.079,36 3.079,37 5.079,38 17.069,39 3.079,40 0.013,41 2.289,42 2.289,43 2,44 5.1,45 4.645,46 1.606,47 7.509,48 4.643,49 3,50 2.151,51 3.233,52 1.222,53 4.207,54 34.944,55 2.16,56 0.876,57 22.132,58 3.679,59 0.722,60 0.841,61 0.722,62 1.06,63 0.167,64 9.906,65 4.833,66 3.803,67 4.921}
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{0 CHEMBL414610,1 102.49,2 37.905,3 0.259,4 5.917,5 15.291,6 12.6,7 14.086,10 3.615,11 16.719,13 2.542,14 11.505,15 2.659,16 2.659,17 18.642,18 9.91,19 0.478,20 11,21 3.19,22 3.19,23 2.563,24 0.913,25 3.618,26 8.938,27 0.273,28 0.195,29 0.329,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.015,41 1.956,42 1.956,44 5.534,45 3.636,46 1.901,47 7.748,48 5.08,49 13,50 1.818,51 3.453,52 1.445,53 4.02,54 38.935,55 1.218,56 0.36,57 35.737,58 3.519,59 0.283,60 0.29,61 0.283,62 0.99,63 0.2,64 10.251,65 5.373,66 3.94,67 5.36}
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{0 CHEMBL57034,1 99.365,2 94.223,3 0.292,4 5.768,5 15.534,6 12.805,7 14.336,8 2,9 2,10 3.704,11 16.993,12 7.974,13 2.615,14 11.72,15 2.754,16 2.754,17 22.552,18 10.066,19 0.809,20 22,21 1.787,22 1.787,23 1.5,24 1.163,25 4.408,26 8.033,27 -0.466,28 0.288,29 0.445,30 6.103,31 8.954,32 8.954,33 6.103,34 8.954,35 2.925,36 2.925,37 4.925,38 15.289,39 2.925,40 0.022,41 1.931,42 1.931,44 4.964,45 3.165,46 1.762,47 6.862,48 4.603,49 4,50 1.339,51 2.665,52 1.212,53 4.146,54 33.12,55 1.147,56 0.537,57 23.855,58 3.246,59 -0.515,60 -0.621,61 -0.515,62 1.164,63 0.156,64 9.291,65 4.85,66 3.2,67 6.23}
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{0 CHEMBL57582,1 99.365,2 84.747,3 0.326,4 6.088,5 15.956,6 13.159,7 14.673,8 2,9 2,10 3.817,11 17.417,12 8.075,13 2.751,14 11.973,15 2.856,16 2.856,17 19.547,18 10.355,19 0.879,21 0.887,22 0.887,23 1.813,24 0.999,25 3.946,26 8.356,27 -0.694,28 0.308,29 0.47,30 6.525,31 10.267,32 10.267,33 6.525,34 10.267,35 3.072,36 3.072,37 5.072,38 17.188,39 3.072,40 0.025,41 1.999,42 1.999,44 5.14,45 3.009,46 1.772,47 7.209,48 4.716,49 4,50 1.328,51 2.475,52 1.374,53 4.228,54 35.034,55 1.538,56 0.164,57 25.048,58 3.137,59 -0.694,60 -0.878,61 -0.694,62 1.225,63 0.109,64 9.591,65 5.06,66 3.08,67 6.88}
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{0 CHEMBL608610,1 21.135,2 159.63,3 0.331,4 6.4,5 15.092,6 12.526,7 13.835,10 4.086,11 16.389,13 3.005,14 11.311,15 3.097,16 3.097,17 13.797,18 9.966,19 0.902,20 248.105,21 1.71,22 1.71,23 2.264,24 1.188,25 4.682,26 9.026,27 -0.959,28 0.313,29 0.477,30 6.826,31 11.202,32 11.202,33 6.826,34 11.202,35 3.253,36 3.253,37 5.253,38 18.711,39 3.253,40 0.027,41 1.931,42 1.931,44 5.276,45 3.435,46 1.373,47 7.791,48 4.433,49 1,50 1.552,51 2.573,52 1.165,53 4.342,54 36.439,55 1.779,56 1.565,57 22.284,58 3.274,59 -1,60 -1,61 -1,62 0.901,63 0.105,64 10.233,65 4.602,66 3.064,67 6.456}
{0 CHEMBL60913,1 99.365,2 94.223,3 0.264,4 5.767,5 15.534,6 12.805,7 14.335,8 2,9 2,10 3.704,11 16.993,12 7.947,13 2.615,14 11.72,15 2.754,16 2.754,17 22.552,18 10.066,19 0.834,20 22,21 1.707,22 1.707,23 1.5,24 1.093,25 4.18,26 8.033,27 -0.467,28 0.295,29 0.454,30 6.103,31 8.954,32 8.954,33 6.103,34 8.954,35 2.925,36 2.925,37 4.925,38 15.289,39 2.925,40 0.023,41 1.928,42 1.928,44 4.963,45 3.147,46 1.746,47 6.862,48 4.484,49 3,50 1.31,51 2.498,52 1.209,53 4.146,54 33.119,55 1.147,56 0.549,57 21.238,58 3.126,59 -0.515,60 -0.621,61 -0.515,62 1.12,63 0.143,64 9.284,65 4.722,66 3.129,67 6.41}
{0 CHEMBL66389,1 102.49,2 70.802,3 0.523,4 6.116,5 15.956,6 13.197,7 14.691,8 1,9 1,10 3.887,11 17.407,12 7.993,13 2.873,14 12.038,15 2.892,16 2.892,17 28.138,18 10.46,19 0.465,20 203.485,21 5.12,22 5.12,23 2.5,24 1.03,25 5.115,26 8.85,27 0.771,28 0.18,29 0.295,30 6.835,31 11.231,32 11.231,33 6.835,34 11.231,35 3.212,36 3.212,37 5.212,38 18.466,39 3.212,40 0.014,41 2.334,42 2.334,43 2,44 5.257,45 4.645,46 1.7,47 7.681,48 4.937,49 5,50 2.154,51 3.233,52 1.451,53 4.206,54 36.317,55 2.311,56 0.913,57 32.669,58 3.721,59 0.789,60 0.862,61 0.789,62 0.977,63 0.145,64 10.084,65 5.163,66 3.792,67 4}
{0 CHEMBL6671,1 102.49,2 75.81,3 0.333,4 7.116,5 15.803,6 13.109,7 14.601,10 4.179,11 17.237,13 2.885,14 12.01,15 3.319,16 3.319,17 28.489,18 10.412,19 0.434,20 22,21 4.5,22 4.5,23 3.313,24 0.963,25 4.44,26 9.427,27 0.297,28 0.172,29 0.284,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.019,41 2.311,42 2.311,44 5.534,45 4.512,46 1.857,47 8.222,48 4.83,49 4,50 2.003,51 3.167,52 1.262,53 4.452,54 39.056,55 1.778,56 0.817,57 30.558,58 3.585,59 0.335,60 0.366,61 0.335,62 0.872,63 0.133,64 10.702,65 5.078,66 3.724,67 5.87}
{0 CHEMBL66864,1 101.265,2 70.802,3 0.523,4 6.116,5 16.962,6 13.976,7 15.54,8 1,9 1,10 3.887,11 18.498,12 12.057,13 2.873,14 12.66,15 2.892,16 2.892,17 21.626,18 11.023,19 0.465,20 203.485,21 5.12,22 5.12,23 2.5,24 1.051,25 4.968,26 8.85,27 0.771,28 0.18,29 0.295,30 6.835,31 11.231,32 11.231,33 6.835,34 11.231,35 3.212,36 3.212,37 5.212,38 18.466,39 3.212,40 0.014,41 2.334,42 2.334,43 2,44 5.257,45 4.645,46 1.681,47 7.681,48 4.804,49 4,50 2.154,51 3.233,52 1.316,53 4.207,54 36.317,55 2.311,56 0.895,57 26.747,58 3.71,59 0.789,60 0.934,61 0.789,62 0.969,63 0.155,64 10.084,65 5.001,66 3.792,67 4.796}
{0 CHEMBL6741,1 148.444,2 37.905,3 0.062,4 5.886,5 15.231,6 12.551,7 14.034,10 3.529,11 16.657,13 2.433,14 11.46,15 2.586,16 2.586,17 14.894,18 9.875,19 1.138,21 -0.785,22 -0.785,23 2.438,24 0.571,25 3.744,26 8.918,27 -1,28 0.37,29 0.54,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.393,39 3.502,40 0.044,41 1.728,42 1.728,44 5.533,45 3.082,46 1.417,47 7.724,48 3.696,50 1,51 2.108,52 1.149,53 3.967,54 38.93,55 1.258,56 0.168,57 19.769,58 2.629,59 -1.303,60 -1.509,61 -1.303,62 0.886,63 0.031,64 10.195,65 3.991,66 2.704,67 4.57}
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{0 CHEMBL6755,1 102.49,2 37.905,3 0.137,4 6.031,5 15.456,6 12.756,7 14.226,10 3.798,11 16.876,13 2.817,14 11.622,15 2.788,16 2.788,17 15.678,18 10.058,19 1.084,20 25.145,21 0.636,22 0.636,23 2.688,24 0.784,25 4.107,26 9.006,27 -1,28 0.356,29 0.526,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.504,36 3.504,37 5.504,38 21.408,39 3.504,40 0.035,41 1.821,42 1.821,44 5.535,45 3.428,46 1.499,47 7.811,48 4.104,50 1.295,51 2.187,52 1.166,53 4.153,54 38.937,55 1.258,56 0.255,57 13.977,58 2.222,59 -1,60 -1.186,61 -1,62 0.807,63 0.054,64 10.275,65 4.349,66 2.789,67 4.24}
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{0 CHEMBL7005,1 102.49,2 37.905,3 0.062,4 5.886,5 15.231,6 12.551,7 14.034,10 3.546,11 16.657,13 2.479,14 11.46,15 2.586,16 2.586,17 14.878,18 9.875,19 1.138,21 -0.785,22 -0.785,23 2.438,24 0.799,25 3.744,26 8.918,27 -1.142,28 0.37,29 0.54,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.393,39 3.502,40 0.044,41 1.728,42 1.728,44 5.533,45 3.082,46 1.417,47 7.724,48 3.734,50 1,51 2.108,52 1.142,53 3.967,54 38.93,55 1.258,56 0.329,57 10.963,58 1.682,59 -1.303,60 -1.509,61 -1.303,62 2.042,63 0.031,64 10.195,65 4.043,66 2.704,67 4.65}
{0 CHEMBL7035,1 102.49,2 66.334,3 0.33,4 5.951,5 15.769,6 13.071,7 14.569,10 3.746,11 17.206,13 2.588,14 11.976,15 2.833,16 2.833,17 22.962,18 10.37,19 0.544,20 11,21 3.526,22 3.526,23 2.75,24 0.807,25 4.266,26 9.116,27 -0.253,28 0.205,29 0.328,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.025,41 2.265,42 2.265,44 5.533,45 4.043,46 1.5,47 7.926,48 4.318,49 1,50 1.88,51 2.858,52 1.157,53 4.216,54 38.931,55 1.831,56 0.329,57 18.448,58 3.475,59 -0.278,60 -0.327,61 -0.278,62 0.967,63 0.085,64 10.387,65 4.561,66 3.422,67 5.66}
{0 CHEMBL7070,1 102.49,2 37.905,3 0.106,4 5.905,5 15.263,6 12.573,7 14.058,10 3.594,11 16.691,13 2.565,14 11.473,15 2.614,16 2.614,17 15.676,18 9.886,19 1.188,21 -0.812,22 -0.812,23 2.563,24 0.833,25 3.962,26 8.921,27 -1.336,28 0.379,29 0.549,30 7.517,31 13.405,32 13.405,33 7.517,34 13.405,35 3.503,36 3.503,37 5.503,38 21.404,39 3.503,40 0.021,41 1.675,42 1.675,44 5.534,45 3.076,46 1.489,47 7.724,48 4.008,50 1.172,51 2.092,52 1.178,53 3.989,54 38.935,55 1.178,56 0.155,57 12.875,58 1.472,59 -1.367,60 -1.63,61 -1.367,62 0.43,63 0.029,64 10.2,65 4.305,66 2.615,67 4.96}
{0 CHEMBL7191,1 102.49,2 85.286,3 0.205,4 5.889,5 15.398,6 12.732,7 14.269,10 3.61,11 16.858,13 2.543,14 11.731,15 2.652,16 2.652,17 20.795,18 10.064,19 0.576,20 11,21 2.275,22 2.275,23 2.375,24 0.817,25 4.008,26 8.995,27 -0.376,28 0.214,29 0.34,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.394,39 3.502,40 0.022,41 2.223,42 2.223,44 5.533,45 3.531,46 1.502,47 7.816,48 4.305,49 1,50 1.629,51 2.838,52 1.157,53 4.01,54 38.93,55 1.449,56 0.266,57 17.16,58 3.014,59 -0.4,60 -0.484,61 -0.4,62 0.998,63 0.085,64 10.287,65 4.562,66 3.313,67 5.19}
{0 CHEMBL7341,1 102.49,2 37.905,3 0.062,4 5.886,5 15.231,6 12.551,7 14.034,10 3.523,11 16.657,13 2.418,14 11.46,15 2.586,16 2.586,17 15.011,18 9.875,19 1.138,21 -0.785,22 -0.785,23 2.438,24 0.415,25 3.744,26 8.918,27 -1,28 0.37,29 0.54,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.393,39 3.502,40 0.044,41 1.728,42 1.728,44 5.533,45 3.082,46 1.417,47 7.724,48 3.674,50 1,51 2.108,52 1.153,53 3.967,54 38.93,55 1.258,56 0.078,57 21.187,58 3.016,59 -1.303,60 -1.509,61 -1.303,62 1.542,63 0.031,64 10.195,65 3.978,66 2.704,67 4.43}
{0 CHEMBL7357,1 102.49,2 85.286,3 0.264,4 5.917,5 15.427,6 12.752,7 14.289,10 3.634,11 16.888,13 2.562,14 11.741,15 2.678,16 2.678,17 20.795,18 10.073,19 0.636,20 11,21 2.649,22 2.649,23 2.5,24 0.805,25 4.024,26 8.999,27 -0.394,28 0.23,29 0.358,30 7.517,31 13.406,32 13.406,33 7.517,34 13.406,35 3.503,36 3.503,37 5.503,38 21.406,39 3.503,40 0.016,41 2.177,42 2.177,44 5.534,45 3.559,46 1.501,47 7.816,48 4.434,49 1,50 1.606,51 2.672,52 1.158,53 4.031,54 38.935,55 1.369,56 0.245,57 19.4,58 3.185,59 -0.413,60 -0.517,61 -0.413,62 0.979,63 0.085,64 10.291,65 4.667,66 3.243,67 5.68}
{0 CHEMBL747,1 102.49,2 37.905,3 0.062,4 5.886,5 15.231,6 12.551,7 14.034,10 3.533,11 16.657,13 2.442,14 11.46,15 2.586,16 2.586,17 14.852,18 9.875,19 1.138,21 -0.785,22 -0.785,23 2.438,24 0.678,25 3.744,26 8.918,27 -1.007,28 0.37,29 0.54,30 7.516,31 13.401,32 13.401,33 7.516,34 13.401,35 3.502,36 3.502,37 5.502,38 21.393,39 3.502,40 0.044,41 1.728,42 1.728,44 5.533,45 3.082,46 1.417,47 7.724,48 3.709,50 1,51 2.108,52 1.146,53 3.967,54 38.93,55 1.258,56 0.222,57 14.117,58 2.037,59 -1.303,60 -1.509,61 -1.303,62 0.609,63 0.031,64 10.195,65 4.002,66 2.704,67 4.76}
{0 CHEMBL7492,1 116.151,2 94.223,3 0.373,4 6.205,5 16.997,6 13.997,7 15.566,8 2,9 2,10 3.881,11 18.533,12 12.544,13 2.818,14 12.662,15 2.913,16 2.913,17 21.6,18 11.009,19 0.709,20 22,21 3.388,22 3.388,23 2.188,24 1.016,25 4.472,26 8.687,27 -0.243,28 0.248,29 0.38,30 6.838,31 11.245,32 11.245,33 6.838,34 11.245,35 3.219,36 3.219,37 5.219,38 18.52,39 3.219,40 0.021,41 2.043,42 2.043,44 5.269,45 4.149,46 1.59,47 7.526,48 4.525,49 1,50 1.818,51 2.657,52 1.277,53 4.277,54 36.357,55 1.942,56 0.418,57 21.475,58 3.398,59 -0.259,60 -0.323,61 -0.259,62 1.126,63 0.089,64 9.938,65 4.75,66 3.178,67 8.824}
{0 CHEMBL81820,1 134.162,2 94.223,3 0.389,4 5.952,5 16.976,6 13.976,7 15.546,8 2,9 2,10 3.736,11 18.514,12 12.406,13 2.555,14 12.642,15 2.831,16 2.831,17 19.062,18 10.989,19 0.628,21 3.516,22 3.516,23 2.063,24 0.949,25 4.574,26 8.633,27 -0.387,28 0.229,29 0.358,30 6.835,31 11.231,32 11.231,33 6.835,34 11.231,35 3.212,36 3.212,37 5.212,38 18.467,39 3.212,40 0.016,41 2.035,42 2.035,44 5.26,45 4.042,46 1.526,47 7.445,48 4.158,49 1,50 1.807,51 2.736,52 1.228,53 4.215,54 36.294,55 1.782,56 0.268,57 16.061,58 3.554,59 -0.449,60 -0.571,61 -0.449,62 0.962,63 0.077,64 9.877,65 4.389,66 3.275,67 6.066}
{0 CHEMBL82924,1 119.275,2 84.747,3 0.467,4 6.365,5 17.072,6 14.08,7 15.641,8 2,9 2,10 3.93,11 18.603,12 12.485,13 2.722,14 12.737,15 3.03,16 3.03,17 20.142,18 11.101,19 0.656,21 3.837,22 3.837,23 2.625,24 1.184,25 4.565,26 8.86,27 -0.229,28 0.235,29 0.365,30 6.837,31 11.242,32 11.242,33 6.837,34 11.242,35 3.218,36 3.218,37 5.218,38 18.519,39 3.218,40 0.022,41 2.037,42 2.037,44 5.265,45 4.353,46 1.575,47 7.65,48 4.407,49 1,50 1.814,51 2.725,52 1.243,53 4.389,54 36.39,55 2.333,56 0.402,57 25.952,58 3.833,59 -0.347,60 -0.445,61 -0.347,62 0.905,63 0.071,64 10.09,65 4.646,66 3.284,67 7.444}
{0 CHEMBL82975,1 119.275,2 94.223,3 0.405,4 6.154,5 16.991,6 13.994,7 15.561,8 2,9 2,10 3.844,11 18.526,12 12.505,13 2.695,14 12.661,15 2.92,16 2.92,17 19.576,18 11.013,19 0.658,21 3.52,22 3.52,23 2.313,24 1.045,25 4.615,26 8.751,27 -0.364,28 0.236,29 0.366,30 6.837,31 11.242,32 11.242,33 6.837,34 11.242,35 3.218,36 3.218,37 5.218,38 18.518,39 3.218,40 0.021,41 2.037,42 2.037,44 5.265,45 4.076,46 1.578,47 7.554,48 4.399,49 1,50 1.812,51 2.721,52 1.243,53 4.261,54 36.335,55 2.062,56 0.323,57 25.352,58 3.608,59 -0.403,60 -0.522,61 -0.403,62 0.91,63 0.071,64 9.985,65 4.648,66 3.28,67 6.018}
{0 CHEMBL9798,1 150.947,2 103.699,3 0.613,4 6.188,5 16.705,6 13.779,7 15.331,8 2,9 2,10 3.926,11 18.221,12 16.74,13 2.886,14 12.518,15 2.931,16 2.931,17 22.987,18 10.882,19 0.489,20 160.801,21 5.121,22 5.121,23 2.313,24 1.035,25 5.09,26 8.809,27 0.914,28 0.187,29 0.302,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.018,41 2.333,42 2.333,43 2,44 5.113,45 4.645,46 1.831,47 7.647,48 4.918,49 4,50 2.154,51 3.263,52 1.364,53 4.239,54 35.103,55 2.28,56 0.875,57 31.125,58 3.889,59 1,60 1.324,61 1,62 1.151,63 0.164,64 10.036,65 5.14,66 3.798,67 7.658}
{0 CHEMBL9824,1 152.172,2 103.699,3 0.613,4 6.188,5 16.016,6 13.26,7 14.755,8 2,9 2,10 3.926,11 17.466,12 8.059,13 2.886,14 12.108,15 2.931,16 2.931,17 28.655,18 10.522,19 0.489,20 160.801,21 5.121,22 5.121,23 2.313,24 1.024,25 5.066,26 8.809,27 0.914,28 0.187,29 0.302,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.018,41 2.333,42 2.333,43 2,44 5.113,45 4.645,46 1.825,47 7.647,48 5.019,49 5,50 2.154,51 3.263,52 1.369,53 4.239,54 35.103,55 2.28,56 0.911,57 35.808,58 3.895,59 1,60 1.106,61 1,62 1.125,63 0.159,64 10.036,65 5.261,66 3.798,67 7.495}
{0 CHEMBL9973,1 153.398,2 103.699,3 0.613,4 6.188,5 15.913,6 13.172,7 14.661,8 2,9 2,10 3.926,11 17.358,12 8.148,13 2.886,14 12.024,15 2.931,16 2.931,17 32.176,18 10.447,19 0.489,20 160.801,21 5.121,22 5.121,23 2.313,24 1.021,25 5.072,26 8.809,27 0.914,28 0.187,29 0.302,30 6.503,31 10.183,32 10.183,33 6.503,34 10.183,35 3.085,36 3.085,37 5.085,38 17.077,39 3.085,40 0.018,41 2.333,42 2.333,43 2,44 5.113,45 4.645,46 1.827,47 7.647,48 5.095,49 5,50 2.154,51 3.263,52 1.413,53 4.238,54 35.103,55 2.28,56 0.936,57 39.387,58 3.899,59 1,60 1.066,61 1,62 1.125,63 0.154,64 10.036,65 5.352,66 3.798,67 7.301}