"molecule_id","C.028","RBN","DLS_07","ATSC2m","P_VSA_LogP_7","nCsp3","P_VSA_i_3","CMC.80","MSD","Infective.80","P_VSA_s_5","SpMin5_Bh.s.","IC4","Neoplastic.80","SpMax1_Bh.e.","SpMaxA_AEA.dm.","IDE","LLS_02","CENT","ATSC2v","P_VSA_MR_1","SpMin5_Bh.m.","SpMin5_Bh.v.","NssNH","SpMin8_Bh.s.","ATSC1v","MDDD","DLS_02","SpMaxA_EA.ed.","ATS3i","Hypertens.80","SpMin6_Bh.v.","GATS2v","CATS2D_02_DL","Wap","ATS2i","Si","Eta_L","ISIZ","nAT","nH","nCs","nBT","GATS6v","MATS3p","GMTIV","ATSC1i","SpMin1_Bh.e.","ATSC3m","IVDE","SpMin6_Bh.p.","SpMin6_Bh.e.","SpMin6_Bh.i.","VAR","SpDiam_EA.ed.","MATS3v","H.046","ATS2e","P_VSA_e_1","P_VSA_m_1","P_VSA_s_2","P_VSA_v_1","Eig01_AEA.ri.","SpMax_AEA.ri.","Eig01_EA.ed.","SM10_AEA.dm.","SpMax_EA.ed.","Eig01_AEA.ed.","pXC50"
{2 18,3 0.5,4 41.169,5 549.206,6 18,7 643.512,9 11.094,11 36.022,12 1.137,13 5.883,15 4.088,16 0.082,17 4.384,18 0.63,19 5730,20 21.549,21 400.217,22 1.921,23 1.927,24 2,25 0.987,26 12.298,27 75.031,28 0.67,29 0.204,30 5.7,32 1.782,33 1.069,34 4,35 46162,36 5.331,37 101.331,38 13.294,39 584.267,40 90,41 46,42 11,43 93,44 0.919,45 -0.02,46 96102,47 1.24,48 1.934,49 63.031,50 1.271,51 1.787,52 1.607,53 1.584,54 326,55 15.973,56 -0.033,57 10,58 5.143,59 517.928,60 517.928,61 517.928,62 517.928,63 3.958,64 3.958,65 9.584,66 9.584,67 9.584,68 6.271,69 7.301}
{0 CHEMBL1076259,2 17,3 0.5,4 39.647,5 537.435,6 17,7 592.592,9 10.634,11 36.022,12 1.136,13 5.837,15 4.085,16 0.085,17 4.324,18 0.75,19 4850,20 20.796,21 388.446,22 1.918,23 1.921,24 2,25 0.825,26 12.007,27 67.878,28 0.67,29 0.217,30 5.666,32 1.76,33 1.094,34 3,35 39301,36 5.296,37 97.972,38 12.581,39 560.536,40 87,41 45,42 10,43 90,44 0.944,45 -0.029,46 77976,47 1.212,48 1.934,49 57.635,50 1.206,51 1.77,52 1.541,53 1.524,54 296,55 16.429,56 -0.015,57 10,58 5.106,59 506.157,60 506.157,61 506.157,62 506.157,63 3.998,64 3.998,65 9.781,66 9.781,67 9.781,68 6.35,69 6.26}
{0 CHEMBL1076260,2 17,3 0.5,4 39.444,5 513.893,6 17,7 580.821,9 10.634,11 36.022,12 1.03,13 5.813,15 4.068,16 0.085,17 4.324,18 0.75,19 4850,20 20.08,21 376.675,22 1.915,23 1.92,24 2,25 0.825,26 11.645,27 67.878,28 0.67,29 0.217,30 5.653,32 1.759,33 1.093,34 3,35 39301,36 5.29,37 97.055,38 12.493,39 552.659,40 86,41 44,42 10,43 89,44 0.95,45 -0.025,46 80466,47 1.225,48 1.934,49 56.204,50 1.206,51 1.769,52 1.533,53 1.512,54 296,55 16.429,56 -0.011,57 10,58 5.098,59 494.386,60 494.386,61 494.386,62 494.386,63 3.991,64 3.991,65 9.781,66 9.781,67 9.781,68 6.35,69 6.022}
{0 CHEMBL1079119,2 7,3 1,4 20.57,5 247.193,6 8,7 400.983,8 1,9 6.845,10 1,12 0.668,13 5.118,14 1,15 4.122,16 0.126,17 3.63,18 1,19 1166,20 10.576,21 164.795,22 1.597,23 1.572,25 0.469,26 6.265,27 24.442,28 1,29 0.392,30 4.987,31 1,32 1.54,33 0.907,34 3,35 15066,36 4.71,37 57.239,38 6.962,39 289.294,40 51,41 24,42 3,43 53,44 0.921,45 -0.129,46 25394,47 0.639,48 1.957,49 28.142,50 1.698,51 1.508,52 1.278,53 1.206,54 99,55 18.912,56 -0.147,57 5,58 4.568,59 258.964,60 258.964,61 258.964,62 258.964,63 4.238,64 4.238,65 11.37,66 11.37,67 11.37,68 7.053,69 4.812}
{0 CHEMBL1079129,2 3,3 1,4 50.92,5 565.013,6 28,7 690.986,9 7.184,11 18.011,12 1.179,13 6.321,15 4.245,16 0.067,17 3.661,18 0.63,19 5576,20 27.288,21 459.073,22 1.922,23 1.912,24 1,25 1.004,26 14.126,27 52.602,28 0.5,29 0.297,30 6.05,32 1.805,33 0.837,34 6,35 16869100,36 5.627,37 116.799,38 17.082,39 696.846,40 104,41 50,42 13,43 116,44 0.92,45 -0.122,46 103353,47 1.54,48 2.018,49 76.818,50 1.703,51 1.8,52 1.621,53 1.576,54 247,55 29.819,56 -0.094,57 7,58 5.469,59 565.013,60 565.013,61 565.013,62 565.013,63 5.159,64 5.159,65 19.602,66 19.602,67 19.602,68 9.067,69 4.745}
{0 CHEMBL1080274,2 17,3 0.5,4 43.081,5 533.399,6 17,7 569.05,9 10.527,11 36.022,12 1.013,13 5.764,15 4.073,16 0.087,17 4.312,18 0.75,19 4482,20 20.269,21 364.904,22 1.772,23 1.769,24 2,25 0.825,26 11.56,27 65.526,28 0.67,29 0.223,30 5.623,32 1.722,33 1.066,34 3,35 34776,36 5.265,37 94.477,38 12.811,39 536.955,40 84,41 43,42 10,43 87,44 0.94,45 -0.011,46 77547,47 1.187,48 1.934,49 56.803,50 1.221,51 1.708,52 1.507,53 1.497,54 281,55 16.439,56 -0.012,57 10,58 5.078,59 482.615,60 482.615,61 482.615,62 482.615,63 3.986,64 3.986,65 9.797,66 9.797,67 9.797,68 6.355,69 6.155}
{0 CHEMBL1080631,2 17,3 0.5,4 36.635,5 506.157,6 17,7 592.592,9 10.311,11 36.022,12 1.071,13 5.645,15 3.984,16 0.094,17 4.288,18 0.75,19 3810,20 19.724,21 388.446,22 1.909,23 1.902,24 2,25 0.825,26 11.666,27 60.797,28 0.67,29 0.219,30 5.643,32 1.749,33 1.173,34 4,35 21165,36 5.262,37 95.052,38 11.606,39 536.955,40 84,41 45,42 10,43 86,44 0.968,45 -0.056,46 60870,47 1.154,48 1.934,49 50.824,50 1.173,51 1.754,52 1.498,53 1.436,54 252,55 15.343,56 -0.039,57 10,58 5.06,59 506.157,60 506.157,61 506.157,62 506.157,63 3.884,64 3.884,65 8.997,66 8.997,67 8.997,68 6.145,69 5.824}
{0 CHEMBL1080813,2 17,3 0.5,4 37.738,5 502.122,6 17,7 569.05,9 10.201,11 36.022,12 1.013,13 5.689,15 3.977,16 0.096,17 4.276,18 0.75,19 3490,20 19.206,21 364.904,22 1.772,23 1.761,24 2,25 0.742,26 11.246,27 58.352,28 0.67,29 0.225,30 5.599,32 1.704,33 1.144,34 3,35 19221,36 5.23,37 91.557,38 11.836,39 513.528,40 81,41 43,42 10,43 83,44 0.961,45 -0.079,46 60192,47 1.132,48 1.934,49 52.749,50 1.19,51 1.679,52 1.481,53 1.424,54 238,55 15.361,56 -0.045,57 10,58 5.032,59 482.615,60 482.615,61 482.615,62 482.615,63 3.865,64 3.865,65 9.001,66 9.001,67 9.001,68 6.146,69 6}
{0 CHEMBL1080814,2 17,3 0.5,4 38.605,5 490.351,6 17,7 557.279,9 10.31,11 81.976,12 1.013,13 5.689,15 3.978,16 0.094,17 4.288,18 0.75,19 3808,20 19.218,21 353.133,22 1.772,23 1.76,24 2,25 0.74,26 11.044,27 60.742,28 0.67,29 0.221,30 5.596,32 1.702,33 1.081,34 3,35 20989,36 5.228,37 91.398,38 12.429,39 513.528,40 81,41 42,42 10,43 83,44 0.939,45 -0.023,46 69893,47 1.123,48 1.934,49 72.267,50 1.279,51 1.675,52 1.478,53 1.427,54 252,55 15.518,56 -0.032,57 10,58 5.034,59 470.844,60 470.844,61 470.844,62 470.844,63 3.881,64 3.881,65 9.079,66 9.079,67 9.079,68 6.164,69 6.125}
{0 CHEMBL1082081,2 18,3 0.5,4 39.514,5 553.242,6 21,7 650.676,9 10.25,11 36.022,12 1.118,13 5.454,15 3.973,16 0.099,17 4.281,18 0.75,19 3520,20 20.18,21 329.591,22 1.911,23 1.891,24 2,25 0.825,26 12.168,27 59.258,28 0.67,29 0.261,30 5.68,32 1.751,33 1.149,34 3,35 15764,36 5.323,37 99.092,38 12.285,39 560.536,40 87,41 49,42 10,43 88,44 0.979,45 -0.085,46 53689,47 1.168,48 1.934,49 53.492,50 1.476,51 1.756,52 1.498,53 1.436,54 238,55 16.452,56 -0.107,57 10,58 5.109,59 553.242,60 553.242,61 553.242,62 553.242,63 4.072,64 4.072,65 10.16,66 10.16,67 10.16,68 6.448,69 5.456}
{0 CHEMBL1082082,2 19,3 0.5,4 38.895,5 529.7,6 18,7 627.134,9 10.804,11 36.022,12 1.132,13 5.655,15 3.98,16 0.089,17 4.346,18 0.75,19 4650,20 20.34,21 411.989,22 1.916,23 1.917,24 2,25 0.825,26 12.072,27 69.636,28 0.67,29 0.202,30 5.674,32 1.755,33 1.169,34 3,35 23878,36 5.31,37 99.676,38 12.161,39 568.43,40 88,41 47,42 10,43 90,44 0.952,45 -0.081,46 72468,47 1.2,48 1.934,49 52.699,50 1.141,51 1.766,52 1.501,53 1.441,54 281,55 14.753,56 -0.062,57 10,58 5.112,59 529.7,60 529.7,61 529.7,62 529.7,63 3.793,64 3.793,65 8.69,66 8.69,67 8.69,68 6.05,69 6.125}
{0 CHEMBL1082605,2 16,3 0.5,4 28.988,5 494.386,6 17,7 505.386,9 8.68,12 1.053,13 4.808,15 3.952,16 0.116,17 4.023,18 0.75,19 1160,20 15.409,21 329.591,22 1.861,23 1.785,25 0.676,26 10.004,27 33.325,28 0.83,29 0.297,30 5.38,32 1.664,33 1.139,35 4488,36 5.084,37 77.51,38 9.154,39 413.947,40 68,41 42,42 6,43 68,44 1.011,45 0.031,46 13479,47 0.896,48 1.915,49 35.202,50 1.198,51 1.628,52 1.415,53 1.341,54 108,55 13.156,56 0.024,57 10,58 4.831,59 494.386,60 494.386,61 494.386,62 494.386,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 5.873}
{0 CHEMBL1082782,2 10,3 1,4 24.348,5 376.675,6 13,7 387.675,8 1,9 7.224,10 1,12 0.982,13 4.44,14 1,15 3.953,16 0.131,17 3.75,18 1,19 722,20 12.518,21 211.88,22 1.725,23 1.668,25 0.583,26 7.885,27 24.165,28 0.83,29 0.335,30 5.165,31 1,32 1.638,33 1.086,35 4240,36 4.875,37 61.434,38 7.24,39 310.764,40 54,41 32,42 4,43 55,44 1.103,45 -0.016,46 9329,47 0.739,48 1.914,49 29.478,50 1.096,51 1.584,52 1.351,53 1.256,54 76,55 13.156,56 -0.039,58 4.635,59 376.675,60 376.675,61 376.675,62 376.675,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 5.854}
{0 CHEMBL1082783,2 12,3 0.5,4 24.005,5 400.217,6 13,7 411.217,8 1,9 7.232,10 1,12 0.869,13 4.289,14 1,15 3.95,16 0.137,17 3.75,18 0.88,19 732,20 12.214,21 211.88,22 1.725,23 1.638,25 0.588,26 8.062,27 24.661,28 0.83,29 0.351,30 5.139,31 1,32 1.638,33 1.058,35 2806,36 4.885,37 63.849,38 7.111,39 325.212,40 56,41 34,42 2,43 56,44 1.027,45 0.08,46 8415,47 0.742,48 1.914,49 28.771,50 1.309,51 1.584,52 1.351,53 1.256,54 80,55 13.156,56 0.048,58 4.632,59 400.217,60 400.217,61 400.217,62 400.217,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 5.562}
{0 CHEMBL1082784,2 14,3 0.5,4 26.502,5 447.302,6 15,7 458.302,8 1,9 7.754,12 1.042,13 4.615,15 3.951,16 0.126,17 3.853,18 0.88,19 910,20 13.814,21 282.506,22 1.861,23 1.785,25 0.595,26 9.034,27 28.243,28 0.83,29 0.321,30 5.267,32 1.638,33 1.102,35 3516,36 4.99,37 70.68,38 8.154,39 369.16,40 62,41 38,42 4,43 62,44 1.045,45 0.034,46 10413,47 0.819,48 1.914,49 32.036,50 1.252,51 1.584,52 1.351,53 1.256,54 90,55 13.156,56 0.025,57 6,58 4.737,59 447.302,60 447.302,61 447.302,62 447.302,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 4.932}
{0 CHEMBL1082785,2 16,3 0.5,4 28.988,5 494.386,6 17,7 505.386,9 8.24,12 1.042,13 4.639,15 3.953,16 0.116,17 3.946,18 0.75,19 1140,20 15.409,21 329.591,22 1.879,23 1.828,25 0.672,26 10.004,27 32.13,28 0.83,29 0.297,30 5.38,32 1.638,33 1.139,35 4310,36 5.084,37 77.51,38 9.154,39 413.947,40 68,41 42,42 6,43 68,44 1.17,45 0.031,46 12707,47 0.896,48 1.914,49 35.202,50 1.198,51 1.584,52 1.351,53 1.256,54 104,55 13.156,56 0.024,57 10,58 4.831,59 494.386,60 494.386,61 494.386,62 494.386,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 5.599}
{0 CHEMBL1082845,2 14,3 0.5,4 29.427,5 470.844,6 17,7 481.844,9 9.046,12 1.047,13 4.787,15 3.955,16 0.112,17 4.091,18 0.88,19 1194,20 15.76,21 306.049,22 1.86,23 1.793,25 0.807,26 9.843,27 34.834,28 0.83,29 0.286,30 5.402,32 1.668,33 1.16,35 6608,36 5.076,37 75.095,38 9.24,39 398.93,40 66,41 40,42 8,43 67,44 1.041,45 -0.01,46 15525,47 0.892,48 1.915,49 35.88,50 0.991,51 1.643,52 1.415,53 1.338,54 114,55 13.156,56 -0.026,57 8,58 4.834,59 470.844,60 470.844,61 470.844,62 470.844,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 7.824}
{0 CHEMBL1082846,2 14,3 0.5,4 30.686,5 494.386,6 18,7 505.386,9 9.346,12 1.043,13 4.757,15 3.956,16 0.108,17 4.142,18 0.88,19 1322,20 16.565,21 329.591,22 1.839,23 1.778,25 0.825,26 10.331,27 36.403,28 0.83,29 0.275,30 5.463,32 1.638,33 1.174,35 7718,36 5.12,37 78.51,38 9.74,39 421.488,40 69,41 42,42 9,43 70,44 1.039,45 0.002,46 17035,47 0.93,48 1.915,49 38.147,50 0.968,51 1.584,52 1.351,53 1.256,54 127,55 13.156,56 -0.01,57 10,58 4.878,59 494.386,60 494.386,61 494.386,62 494.386,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 8.137}
{0 CHEMBL1082847,2 14,3 0.5,4 31.94,5 506.157,6 18,7 517.157,9 9.665,12 1.042,13 4.991,15 3.956,16 0.104,17 4.197,18 0.88,19 1448,20 16.328,21 388.446,22 1.831,23 1.78,25 0.825,26 10.349,27 38.265,28 0.83,29 0.266,30 5.46,32 1.638,33 1.089,35 8765,36 5.16,37 81.008,38 9.523,39 436.632,40 71,41 43,42 6,43 72,44 1.081,45 -0.016,46 20104,47 0.971,48 1.915,49 39.331,50 1.136,51 1.584,52 1.351,53 1.256,54 142,55 13.156,56 -0.043,57 8,58 4.909,59 506.157,60 506.157,61 506.157,62 506.157,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 7.959}
{0 CHEMBL1082849,2 15,3 0.5,4 33.227,5 529.7,6 19,7 540.699,9 10,12 1.043,13 4.851,15 3.958,16 0.101,17 4.251,18 0.88,19 1606,20 17.088,21 376.675,22 1.846,23 1.795,25 0.852,26 10.836,27 40.556,28 0.83,29 0.257,30 5.514,32 1.676,33 1.116,35 9888,36 5.2,37 84.424,38 10.078,39 459.5,40 74,41 45,42 6,43 75,44 0.995,45 0.034,46 21823,47 1.009,48 1.915,49 41.083,50 1.113,51 1.638,52 1.41,53 1.325,54 158,55 13.156,56 0.001,57 8,58 4.95,59 529.7,60 529.7,61 529.7,62 529.7,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 7.854}
{0 CHEMBL1082850,2 16,3 0.5,4 28.988,5 494.386,6 17,7 505.386,9 9.05,12 1.039,13 4.661,15 3.952,16 0.116,17 4.091,18 0.75,19 1204,20 15.409,21 306.049,22 1.808,23 1.745,25 0.854,26 10.004,27 35.278,28 0.83,29 0.297,30 5.381,32 1.638,33 1.139,35 4630,36 5.084,37 77.51,38 9.111,39 413.947,40 68,41 42,42 6,43 68,44 0.988,45 0.064,46 14163,47 0.896,48 1.915,49 35.137,50 1.198,51 1.584,52 1.351,53 1.256,54 118,55 13.156,56 0.042,57 8,58 4.831,59 494.386,60 494.386,61 494.386,62 494.386,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 7.319}
{0 CHEMBL1082977,2 4,3 1,4 18.386,5 235.422,6 7,7 247.193,8 1,9 5.812,10 1,11 18.011,12 0.741,13 4.618,14 1,15 3.966,16 0.136,17 3.43,18 1,19 567,20 9.661,21 200.109,22 1.513,23 1.453,24 1,25 0.218,26 5.68,27 17.333,28 1,29 0.4,30 4.927,31 1,32 1.429,33 1.04,34 2,35 6528,36 4.608,37 48.73,38 5.345,39 233.329,40 43,41 22,42 2,43 45,44 1.05,45 -0.158,46 9455,47 0.657,48 1.917,49 24.295,50 1.049,51 1.376,52 1.153,53 1.064,54 67,55 15.403,56 -0.116,57 4,58 4.395,59 247.193,60 247.193,61 247.193,62 247.193,63 3.825,64 3.825,65 9.19,66 9.19,67 9.19,68 6.173,69 5.538}
{0 CHEMBL1082978,2 5,3 1,4 16.875,5 211.88,6 6,7 223.651,8 1,9 5.799,10 1,11 18.011,12 0.72,13 4.522,14 1,15 3.959,16 0.142,17 3.408,18 1,19 512,20 8.748,21 153.024,22 1.6,23 1.573,24 1,25 0.094,26 5.152,27 15.76,28 1,29 0.417,30 4.836,31 1,32 1.131,33 1.069,34 2,35 5287,36 4.532,37 45.315,38 4.927,39 212.877,40 40,41 20,42 3,43 42,44 1.053,45 -0.081,46 9113,47 0.619,48 1.922,49 21.999,50 0.722,51 1.115,52 0.886,53 0.821,54 62,55 15.408,56 -0.054,58 4.323,59 223.651,60 223.651,61 223.651,62 223.651,63 3.812,64 3.812,65 9.181,66 9.181,67 9.181,68 6.171,69 4.86}
{0 CHEMBL1082979,2 5,3 1,4 20.72,5 244.099,6 6,7 223.651,8 1,9 6.017,10 1,11 18.011,12 0.743,13 4.577,14 1,15 3.949,16 0.183,17 3.473,18 1,19 593,20 9.099,21 200.109,22 1.513,23 1.429,24 1,25 0.218,26 5.234,27 17.392,28 1,29 0.399,30 4.811,31 1,32 1.142,33 1.081,34 2,35 6343,36 4.537,37 46.235,38 5.718,39 219.66,40 41,41 20,42 1,43 43,44 0.99,45 -0.153,46 11735,47 0.643,48 1.922,49 25.779,50 0.702,51 1.125,52 0.886,53 0.821,54 69,55 15.374,56 -0.085,58 4.342,59 223.651,60 223.651,61 223.651,62 223.651,63 3.802,64 3.802,65 9.174,66 9.174,67 9.174,68 6.168,69 4}
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{0 CHEMBL1083273,2 12,3 0.5,4 26.898,5 423.76,6 15,7 434.76,8 1,9 8.137,10 1,12 1.04,13 4.657,15 3.954,16 0.121,17 3.931,18 0.88,19 934,20 14.144,21 258.964,22 1.794,23 1.775,25 0.611,26 8.865,27 29.326,28 0.83,29 0.309,30 5.29,32 1.638,33 1.126,35 5346,36 4.98,37 68.264,38 8.24,39 354.413,40 60,41 36,42 6,43 61,44 1.048,45 -0.012,46 12171,47 0.815,48 1.915,49 32.702,50 1.041,51 1.584,52 1.351,53 1.256,54 94,55 13.156,56 -0.032,57 4,58 4.74,59 423.76,60 423.76,61 423.76,62 423.76,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 5.893}
{0 CHEMBL1083431,2 13,3 0.5,4 30.706,5 482.615,6 17,7 493.615,8 1,9 9.08,12 1.026,13 4.727,15 3.956,16 0.108,17 4.108,18 0.88,19 1278,20 15.477,21 329.591,22 1.777,23 1.729,25 0.825,26 9.862,27 34.593,28 0.83,29 0.275,30 5.415,32 1.638,33 1.082,35 8192,36 5.117,37 77.593,38 9.078,39 413.947,40 68,41 41,42 4,43 69,44 0.996,45 0.036,46 17493,47 0.932,48 1.915,49 37.873,50 1.16,51 1.584,52 1.351,53 1.26,54 135,55 13.156,56 -0.001,57 4,58 4.867,59 482.615,60 482.615,61 482.615,62 482.615,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 5.658}
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{0 CHEMBL1083710,2 10,3 1,4 25.626,5 400.217,6 14,7 411.217,8 1,9 7.511,10 1,12 0.869,13 4.552,14 1,15 3.954,16 0.126,17 3.814,18 1,19 808,20 13.332,21 235.422,22 1.725,23 1.638,25 0.596,26 8.375,27 25.701,28 0.83,29 0.321,30 5.242,31 1,32 1.49,33 1.107,35 5066,36 4.929,37 64.849,38 7.74,39 332.475,40 57,41 34,42 5,43 58,44 1.095,45 -0.001,46 10375,47 0.777,48 1.915,49 31.757,50 1.068,51 1.47,52 1.213,53 1.142,54 87,55 13.156,56 -0.018,57 2,58 4.689,59 400.217,60 400.217,61 400.217,62 400.217,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 6.149}
{0 CHEMBL1083711,2 10,3 1,4 26.868,5 411.989,6 14,7 422.988,8 1,9 7.82,10 1,12 0.869,13 4.692,14 1,15 3.954,16 0.121,17 3.881,18 1,19 892,20 13.086,21 294.278,22 1.725,23 1.638,25 0.611,26 8.397,27 27.431,28 0.83,29 0.309,30 5.239,31 1,32 1.545,33 1.005,35 5837,36 4.976,37 67.348,38 7.523,39 347.076,40 59,41 35,42 2,43 60,44 1.148,45 -0.023,46 12508,47 0.817,48 1.914,49 32.806,50 1.236,51 1.526,52 1.243,53 1.159,54 100,55 13.156,56 -0.062,58 4.727,59 411.989,60 411.989,61 411.989,62 411.989,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 5.012}
{0 CHEMBL1083972,1 2,2 2,3 1,4 13.455,5 153.024,6 5,7 189.169,8 1,9 4.277,10 1,12 0.577,13 4.572,14 1,15 4.115,16 0.175,17 2.912,18 1,19 346,20 6.993,21 154.74,22 1.441,23 1.377,26 3.872,27 11.507,28 1,29 0.532,30 4.523,31 1,32 1.261,33 0.757,34 2,35 6707,36 4.354,37 38.405,38 4.429,39 172.974,40 34,41 15,42 3,43 36,44 1.106,45 -0.123,46 7724,47 0.51,48 2.012,49 15.433,50 1.529,51 1.26,52 0.887,53 0.829,54 49,55 18.726,56 -0.025,57 4,58 4.183,59 153.024,60 153.024,61 153.024,62 153.024,63 4.233,64 4.233,65 11.178,66 11.178,67 11.178,68 6.803,69 5.301}
{0 CHEMBL1083973,1 2,2 3,3 1,4 18.145,5 223.651,6 8,7 259.796,8 1,9 4.938,10 1,12 0.68,13 4.88,14 1,15 4.106,16 0.154,17 3.156,18 1,19 550,20 9.77,21 190.053,22 1.549,23 1.494,25 0.123,26 5.514,27 16.091,28 1,29 0.465,30 4.893,31 1,32 1.319,33 0.922,34 2,35 10658,36 4.601,37 48.651,38 5.974,39 233.329,40 43,41 21,42 5,43 45,44 1.222,45 0.098,46 10121,47 0.626,48 2.028,49 24.116,50 1.495,51 1.328,52 1.042,53 0.999,54 74,55 18.717,56 0.156,57 8,58 4.413,59 223.651,60 223.651,61 223.651,62 223.651,63 4.226,64 4.226,65 11.171,66 11.171,67 11.171,68 6.801,69 5.678}
{0 CHEMBL1084080,2 18,3 0.5,4 31.464,5 541.471,6 19,7 552.471,9 9.174,12 1.064,13 4.824,15 3.954,16 0.108,17 4.107,18 0.75,19 1428,20 17,21 376.675,22 1.889,23 1.86,25 0.816,26 10.973,27 37,28 0.67,29 0.275,30 5.482,32 1.705,33 1.169,35 5416,36 5.171,37 84.34,38 10.154,39 459.5,40 74,41 46,42 8,43 74,44 1.127,45 0.028,46 16229,47 0.973,48 1.915,49 38.338,50 1.149,51 1.672,52 1.455,53 1.38,54 122,55 13.156,56 0.023,57 14,58 4.917,59 541.471,60 541.471,61 541.471,62 541.471,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 6.638}
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{0 CHEMBL1084213,2 4,3 1,4 20.054,5 247.193,6 6,7 258.964,8 1,9 6.395,10 1,11 18.011,12 0.741,13 4.944,14 1,15 4.095,16 0.113,17 3.562,18 1,19 879,20 9.846,21 258.964,22 1.544,23 1.506,24 1,25 0.263,26 5.937,27 20.166,28 1,29 0.364,30 4.983,31 1,32 1.446,33 0.877,34 2,35 18946,36 4.723,37 54.228,38 5.496,39 268.078,40 48,41 23,43 51,44 1.003,45 -0.081,46 16740,47 0.755,48 2.081,49 25.651,50 1.078,51 1.417,52 1.166,53 1.065,54 95,55 16.978,56 -0.083,58 4.515,59 258.964,60 258.964,61 258.964,62 258.964,63 4.031,64 4.031,65 10.196,66 10.196,67 10.196,68 6.506,69 5.585}
{0 CHEMBL1084250,1 2,2 2,3 1,4 16.631,5 200.109,6 7,7 236.254,8 1,9 4.647,10 1,12 0.582,13 4.784,14 1,15 4.106,16 0.16,17 3.049,18 1,19 462,20 8.868,21 201.824,22 1.548,23 1.494,25 0.046,26 4.974,27 13.905,28 1,29 0.486,30 4.791,31 1,32 1.29,33 0.861,34 2,35 9526,36 4.526,37 45.235,38 5.429,39 212.877,40 40,41 19,42 5,43 42,44 1.194,45 0.004,46 9292,47 0.588,48 2.027,49 21.218,50 1.51,51 1.277,52 0.966,53 0.888,54 59,55 18.716,56 0.084,57 8,58 4.342,59 200.109,60 200.109,61 200.109,62 200.109,63 4.226,64 4.226,65 11.171,66 11.171,67 11.171,68 6.801,69 6.31}
{0 CHEMBL1084517,1 2,2 2,3 1,4 18.17,5 223.651,6 8,7 259.796,8 1,9 4.871,10 1,12 0.622,13 4.787,14 1,15 4.104,16 0.153,17 3.129,18 1,19 528,20 9.782,21 225.366,22 1.593,23 1.57,25 0.223,26 5.514,27 15.636,28 1,29 0.465,30 4.883,31 1,32 1.385,33 0.901,34 2,35 11172,36 4.602,37 48.651,38 5.929,39 233.329,40 43,41 21,42 6,43 45,44 1.077,45 0.014,46 10226,47 0.626,48 2.042,49 23.548,50 1.495,51 1.346,52 1.139,53 1.066,54 64,55 18.716,56 0.093,57 10,58 4.413,59 223.651,60 223.651,61 223.651,62 223.651,63 4.225,64 4.225,65 11.17,66 11.17,67 11.17,68 6.801,69 5.39}
{0 CHEMBL1084518,1 2,2 3,3 1,4 15.014,5 176.567,6 6,7 212.711,8 1,9 4.579,10 1,12 0.595,13 4.682,14 1,15 4.115,16 0.168,17 3.034,18 1,19 412,20 7.936,21 142.969,22 1.449,23 1.395,26 4.427,27 13.36,28 1,29 0.508,30 4.654,31 1,32 1.268,33 0.838,34 2,35 7583,36 4.443,37 41.82,38 4.974,39 192.75,40 37,41 17,42 3,43 39,44 1.148,45 0.018,46 8469,47 0.549,48 2.012,49 18.664,50 1.522,51 1.273,52 0.967,53 0.946,54 62,55 18.727,56 0.09,57 4,58 4.266,59 176.567,60 176.567,61 176.567,62 176.567,63 4.233,64 4.233,65 11.179,66 11.179,67 11.179,68 6.804,69 4.409}
{0 CHEMBL1084519,1 2,2 3,3 1,4 19.664,5 247.193,6 9,7 283.338,8 1,9 5.155,10 1,12 0.879,13 4.882,14 1,15 4.105,16 0.148,17 3.228,18 1,19 628,20 10.667,21 213.595,22 1.685,23 1.639,25 0.226,26 6.048,27 17.909,28 1,29 0.447,30 4.977,31 1,32 1.399,33 0.956,34 2,35 12444,36 4.672,37 52.066,38 6.474,39 254.084,40 46,41 23,42 6,43 48,44 1.108,45 0.097,46 11101,47 0.665,48 2.042,49 26.299,50 1.478,51 1.37,52 1.148,53 1.072,54 80,55 18.717,56 0.155,57 10,58 4.48,59 247.193,60 247.193,61 247.193,62 247.193,63 4.226,64 4.226,65 11.171,66 11.171,67 11.171,68 6.801,69 5.276}
{0 CHEMBL1084563,2 8,3 1,4 24.3,5 364.904,6 12,7 375.904,8 1,9 6.89,10 1,12 0.869,13 4.478,14 1,15 3.954,16 0.131,17 3.692,18 1,19 688,20 11.448,21 294.278,22 1.706,23 1.638,25 0.588,26 7.418,27 22.364,28 1,29 0.335,30 5.107,31 1,32 1.445,33 0.947,35 4623,36 4.87,37 60.517,38 6.529,39 303.58,40 53,41 31,43 54,44 1.023,45 -0.009,46 9518,47 0.74,48 1.914,49 29.495,50 1.293,51 1.411,52 1.153,53 1.064,54 82,55 13.159,56 -0.072,58 4.621,59 364.904,60 364.904,61 364.904,62 364.904,63 3.682,64 3.682,65 7.714,66 7.714,67 7.714,68 5.601,69 4.693}
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{0 CHEMBL1084831,2 12,3 0.5,4 28.165,5 447.302,6 16,7 458.302,8 1,9 8.432,12 1.024,13 4.624,15 3.955,16 0.116,17 3.988,18 0.88,19 1040,20 14.953,21 282.506,22 1.725,23 1.67,25 0.693,26 9.354,27 30.992,28 0.83,29 0.297,30 5.358,32 1.638,33 1.144,35 6310,36 5.029,37 71.68,38 8.74,39 376.569,40 63,41 38,42 7,43 64,44 1.045,45 0.001,46 13441,47 0.853,48 1.915,49 34.973,50 1.015,51 1.584,52 1.351,53 1.256,54 106,55 13.156,56 -0.013,57 6,58 4.788,59 447.302,60 447.302,61 447.302,62 447.302,63 3.681,64 3.681,65 7.713,66 7.713,67 7.713,68 5.601,69 5.863}
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{0 CHEMBL1163560,1 2,2 7,3 1,4 33.842,5 329.591,6 10,7 488.217,9 10.317,12 0.962,13 5.089,15 4.199,16 0.058,17 4.291,18 0.75,19 5620,20 15.046,21 353.133,22 1.713,23 1.712,25 0.629,26 9.04,27 68.688,28 0.5,29 0.192,30 5.477,32 1.662,33 0.7,35 3355240,36 5.288,37 93.315,38 11.033,39 536.955,40 84,41 34,42 2,43 93,44 1.126,45 0.02,46 144117,47 1.114,48 2.11,49 39.091,50 1.183,51 1.673,52 1.48,53 1.441,54 278,55 18.62,56 -0.003,58 5.165,59 400.217,60 400.217,61 400.217,62 400.217,63 4.246,64 4.246,65 11.32,66 11.32,67 11.32,68 6.816,69 5.955}
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{0 CHEMBL1165194,1 2,2 9,3 1,4 37.423,5 376.675,6 12,7 535.301,9 11.362,12 1.152,13 5.164,15 4.199,16 0.056,17 4.428,18 0.75,19 6308,20 17.208,21 353.133,22 1.906,23 1.864,25 0.724,26 10.196,27 74.817,28 0.5,29 0.186,30 5.57,32 1.664,33 0.745,35 3608270,36 5.359,37 100.145,38 12.027,39 584.267,40 90,41 38,42 4,43 99,44 1.153,45 0.022,46 166111,47 1.197,48 2.109,49 44.752,50 1.169,51 1.676,52 1.482,53 1.443,54 302,55 18.619,56 0.024,58 5.227,59 447.302,60 447.302,61 447.302,62 447.302,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 6.636}
{0 CHEMBL1165272,1 1,2 9,3 1,4 28.308,5 317.82,6 9,7 419.132,9 9.05,12 0.853,13 5.297,15 4.171,16 0.081,17 4.115,18 0.75,19 2975,20 13.091,21 282.506,22 1.647,23 1.663,25 0.578,26 7.99,27 52.947,28 0.67,29 0.27,30 5.232,32 1.549,33 0.801,35 182881,36 5.033,37 74.775,38 8.53,39 406.428,40 67,41 30,42 3,43 72,44 1.111,45 0.029,46 62784,47 0.873,48 2.109,49 33.864,50 1.181,51 1.537,52 1.292,53 1.246,54 254,55 18.619,56 0.028,58 4.891,59 353.133,60 353.133,61 353.133,62 353.133,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.64}
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{0 CHEMBL1172618,1 4,2 12,3 0.5,4 32.765,5 435.531,6 14,7 478.214,9 10.698,11 36.022,12 1.14,13 5.738,15 4.124,16 0.082,17 4.266,18 0.5,19 2690,20 18.842,21 388.446,22 1.89,23 1.859,24 2,25 0.756,26 10.767,27 43.657,28 0.67,29 0.277,30 5.547,32 1.738,33 1.069,34 6,35 86331,36 5.178,37 86.676,38 10.516,39 482.543,40 77,41 40,42 10,43 81,44 1.154,45 0.026,46 57415,47 1.097,48 2.072,49 45.419,50 1.12,51 1.716,52 1.555,53 1.501,54 182,55 18.879,56 0.06,57 14,58 4.98,59 435.531,60 435.531,61 435.531,62 435.531,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.699}
{0 CHEMBL1172762,1 3,2 13,3 0.5,4 32.942,5 411.989,6 14,7 505.592,9 11.093,11 36.022,12 1.145,13 5.702,15 4.123,16 0.081,17 4.309,18 0.5,19 2904,20 18.684,21 376.675,22 1.918,23 1.88,24 2,25 0.758,26 10.508,27 46.144,28 0.5,29 0.27,30 5.561,32 1.736,33 1.061,34 6,35 88928,36 5.177,37 86.62,38 10.993,39 482.543,40 77,41 39,42 11,43 81,44 1.137,45 0.057,46 69440,47 1.085,48 2.072,49 48.979,50 1.105,51 1.718,52 1.534,53 1.482,54 190,55 18.879,56 0.094,57 16,58 4.984,59 423.76,60 423.76,61 423.76,62 423.76,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.187}
{0 CHEMBL1172817,1 3,2 12,3 0.5,4 31.281,5 400.217,6 13,7 454.672,9 10.492,11 36.022,12 1.14,13 5.723,15 4.122,16 0.084,17 4.24,18 0.63,19 2508,20 17.96,21 364.904,22 1.888,23 1.856,24 2,25 0.754,26 10.234,27 42.463,28 0.67,29 0.284,30 5.516,32 1.707,33 1.09,34 6,35 78362,36 5.135,37 83.261,38 10.171,39 459.5,40 74,41 38,42 10,43 78,44 1.13,45 0.026,46 54922,47 1.057,48 2.072,49 43.876,50 0.983,51 1.689,52 1.516,53 1.464,54 184,55 18.879,56 0.07,57 14,58 4.94,59 411.989,60 411.989,61 411.989,62 411.989,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.523}
{0 CHEMBL1173042,1 3,2 11,3 0.5,4 31.019,5 388.446,6 12,7 442.901,9 9.885,11 36.022,12 1.122,13 5.769,15 4.122,16 0.084,17 4.169,18 0.63,19 2508,20 16.75,21 353.133,22 1.849,23 1.826,24 2,25 0.726,26 9.774,27 41.352,28 0.67,29 0.284,30 5.467,32 1.684,33 0.994,34 6,35 75362,36 5.132,37 82.344,38 9.443,39 451.857,40 73,41 37,42 6,43 77,44 1.074,45 -0.021,46 53366,47 1.077,48 2.072,49 42.272,50 1.135,51 1.669,52 1.49,53 1.434,54 182,55 18.879,56 0.015,57 6,58 4.93,59 400.217,60 400.217,61 400.217,62 400.217,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.301}
{0 CHEMBL1173052,1 3,2 11,3 0.5,4 31.066,5 376.675,6 12,7 470.278,9 9.982,11 36.022,12 1.122,13 5.769,15 4.122,16 0.083,17 4.169,18 0.63,19 2673,20 16.514,21 341.362,22 1.849,23 1.826,24 2,25 0.726,26 9.509,27 41.642,28 0.67,29 0.277,30 5.466,32 1.684,33 0.953,34 6,35 80951,36 5.131,37 82.288,38 9.765,39 451.857,40 73,41 36,42 6,43 77,44 1.091,45 0.009,46 62139,47 1.066,48 2.072,49 44.759,50 1.241,51 1.669,52 1.489,53 1.434,54 177,55 18.879,56 0.037,57 6,58 4.934,59 388.446,60 388.446,61 388.446,62 388.446,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.523}
{0 CHEMBL1173521,1 4,2 14,3 0.5,4 35.68,5 482.615,6 16,7 525.299,9 11.692,11 36.022,12 1.15,13 5.667,15 4.125,16 0.078,17 4.399,18 0.5,19 3228,20 20.638,21 435.531,22 1.942,23 1.899,24 2,25 0.806,26 11.825,27 50.773,28 0.5,29 0.264,30 5.634,32 1.779,33 1.094,34 6,35 96141,36 5.257,37 93.507,38 11.516,39 529.128,40 83,41 44,42 12,43 87,44 1.136,45 0.029,46 67617,47 1.175,48 2.072,49 49.216,50 1.09,51 1.759,52 1.586,53 1.535,54 207,55 18.879,56 0.063,57 18,58 5.054,59 482.615,60 482.615,61 482.615,62 482.615,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.155}
{0 CHEMBL1173662,1 3,2 13,3 0.5,4 32.767,5 423.76,6 14,7 478.214,9 10.988,11 36.022,12 1.145,13 5.702,15 4.122,16 0.082,17 4.31,18 0.5,19 2764,20 18.874,21 388.446,22 1.919,23 1.88,24 2,25 0.758,26 10.767,27 45.819,28 0.67,29 0.277,30 5.562,32 1.736,33 1.102,34 6,35 82848,36 5.177,37 86.676,38 10.671,39 482.543,40 77,41 40,42 11,43 81,44 1.122,45 0.027,46 59747,47 1.097,48 2.072,49 45.795,50 0.969,51 1.718,52 1.534,53 1.482,54 197,55 18.879,56 0.071,57 16,58 4.98,59 435.531,60 435.531,61 435.531,62 435.531,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.301}
{0 CHEMBL1173663,1 3,2 14,3 0.5,4 34.236,5 447.302,6 15,7 501.756,9 11.481,11 36.022,12 1.15,13 5.647,15 4.123,16 0.08,17 4.376,18 0.5,19 3020,20 19.779,21 411.989,22 1.942,23 1.898,24 2,25 0.777,26 11.298,27 49.263,28 0.5,29 0.27,30 5.606,32 1.765,33 1.114,34 6,35 87452,36 5.217,37 90.091,38 11.171,39 505.754,40 80,41 42,42 12,43 84,44 1.114,45 0.029,46 64800,47 1.136,48 2.072,49 47.682,50 0.955,51 1.745,52 1.553,53 1.497,54 210,55 18.879,56 0.071,57 18,58 5.018,59 459.073,60 459.073,61 459.073,62 459.073,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.187}
{0 CHEMBL1173761,1 3,2 11,3 0.5,4 29.774,5 376.675,6 12,7 431.13,9 9.992,11 36.022,12 1.123,13 5.755,15 4.122,16 0.086,17 4.167,18 0.63,19 2288,20 17.037,21 341.362,22 1.85,23 1.826,24 2,25 0.742,26 9.696,27 39.197,28 0.67,29 0.291,30 5.468,32 1.677,33 1.076,34 6,35 73993,36 5.091,37 79.846,38 9.671,39 436.632,40 71,41 36,42 9,43 75,44 1.14,45 0.023,46 50321,47 1.018,48 2.072,49 41.921,50 0.997,51 1.658,52 1.491,53 1.436,54 172,55 18.879,56 0.068,57 12,58 4.899,59 388.446,60 388.446,61 388.446,62 388.446,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.824}
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{0 CHEMBL12089,1 1,2 2,3 1,4 17.724,5 176.567,6 5,7 255.879,8 1,9 5.386,10 1,12 0.578,13 4.926,14 1,15 4.168,16 0.118,17 3.301,18 0.88,19 735,20 7.807,21 188.338,22 1.575,23 1.539,25 0.307,26 4.766,27 19.136,28 1,29 0.39,30 4.734,31 1,32 1.485,33 0.639,35 49516,36 4.608,37 47.865,38 5.392,39 233.329,40 43,41 18,42 1,43 47,44 1.129,45 -0.029,46 18054,47 0.57,48 2.108,49 18.488,50 1.311,51 1.51,52 1.162,53 1.119,54 79,55 18.611,56 -0.034,58 4.475,59 211.88,60 211.88,61 211.88,62 211.88,63 4.245,64 4.245,65 11.312,66 11.312,67 11.312,68 6.814,69 4.74}
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{0 CHEMBL152675,2 3,3 1,4 11.964,5 200.109,6 2,7 328.696,8 1,9 6.179,10 1,12 0.531,13 4.187,15 4.014,16 0.129,17 3.482,18 1,19 1143,20 7.459,21 200.109,22 1.477,23 1.435,25 0.218,26 4.482,27 25.333,28 1,29 0.348,30 4.772,32 1.274,33 0.862,35 10491,36 4.478,37 48.542,38 5.515,39 240.215,40 44,41 17,43 46,44 0.842,45 -0.25,46 28536,47 0.508,48 1.967,49 21.973,50 1.487,51 1.277,52 1.038,53 0.975,54 106,55 17.118,56 -0.217,58 4.35,59 200.109,60 200.109,61 200.109,62 200.109,63 4.095,64 4.095,65 10.106,66 10.106,67 10.106,68 6.487,69 4.418}
{0 CHEMBL1555,2 1,3 1,4 19.599,5 235.422,6 9,7 300.105,8 1,9 4.044,10 1,12 0.572,13 4.975,14 1,15 4.102,16 0.169,17 2.768,18 1,19 440,20 9.762,21 188.338,22 1.52,23 1.451,25 0.405,26 5.622,27 11.66,28 1,29 0.655,30 4.953,31 1,32 1.323,33 0.807,34 2,35 17777,36 4.637,37 47.279,38 5.987,39 226.477,40 42,41 21,42 4,43 45,44 1.205,45 -0.044,46 8114,47 0.58,48 1.944,49 26.749,50 1.648,51 1.307,52 1.091,53 1.038,54 52,55 24.188,56 -0.047,58 4.469,59 235.422,60 235.422,61 235.422,62 235.422,63 4.712,64 4.712,65 15.709,66 15.709,67 15.709,68 8.074,69 4.817}
{0 CHEMBL156016,2 3,3 1,4 14.456,5 223.651,6 2,7 273.941,8 1,9 5.684,10 1,12 0.536,13 4.187,14 1,15 4.012,16 0.139,17 3.326,18 1,19 899,20 8.376,21 223.651,22 1.503,23 1.449,25 0.218,26 5.18,27 22.202,28 1,29 0.374,30 4.776,31 1,32 1.285,33 0.97,35 8165,36 4.481,37 48.654,38 4.872,39 240.215,40 44,41 19,43 46,44 0.828,45 -0.212,46 17254,47 0.531,48 1.969,49 20.113,50 1.323,51 1.284,52 1.043,53 0.974,54 81,55 17.117,56 -0.16,58 4.333,59 223.651,60 223.651,61 223.651,62 223.651,63 4.094,64 4.094,65 10.106,66 10.106,67 10.106,68 6.487,69 4.656}
{0 CHEMBL1629774,2 8,3 1,4 24.387,5 317.82,6 9,7 379.109,8 1,9 8.622,10 1,11 36.022,12 0.825,13 5.052,14 1,15 3.981,16 0.118,17 4.046,18 1,19 1530,20 12.662,21 235.422,22 1.583,23 1.625,24 2,25 0.421,26 7.476,27 39.165,28 1,29 0.254,30 5.213,31 1,32 1.44,33 1.077,34 4,35 15009,36 4.877,37 65.521,38 7.342,39 339.763,40 58,41 29,42 4,43 60,44 1.089,45 -0.057,46 31675,47 0.822,48 1.931,49 33.611,50 1.233,51 1.434,52 1.206,53 1.141,54 152,55 13.649,56 -0.073,58 4.686,59 317.82,60 317.82,61 317.82,62 317.82,63 3.744,64 3.744,65 7.889,66 7.889,67 7.889,68 5.655,69 4.97}
{0 CHEMBL1629775,2 9,3 1,4 25.912,5 341.362,6 10,7 402.652,8 1,9 8.964,10 1,11 36.022,12 0.825,13 5.131,14 1,15 3.982,16 0.115,17 4.108,18 1,19 1712,20 13.564,21 270.735,22 1.585,23 1.631,24 2,25 0.528,26 8.003,27 42.613,28 1,29 0.247,30 5.274,31 1,32 1.495,33 1.095,34 4,35 16541,36 4.931,37 68.936,38 7.864,39 361.775,40 61,41 31,42 5,43 63,44 1.058,45 -0.068,46 33710,47 0.86,48 1.931,49 35.625,50 1.212,51 1.516,52 1.217,53 1.158,54 170,55 13.65,56 -0.072,57 3,58 4.737,59 341.362,60 341.362,61 341.362,62 341.362,63 3.744,64 3.744,65 7.889,66 7.889,67 7.889,68 5.655,69 5.03}
{0 CHEMBL1629776,2 8,3 1,4 25.908,5 341.362,6 10,7 402.652,8 1,9 8.883,10 1,11 36.022,12 0.825,13 4.988,14 1,15 3.983,16 0.115,17 4.086,18 1,19 1688,20 13.553,21 223.651,22 1.584,23 1.627,24 2,25 0.469,26 8.003,27 41.653,28 1,29 0.247,30 5.273,31 1,32 1.442,33 1.069,34 5,35 16448,36 4.93,37 68.936,38 7.728,39 361.775,40 61,41 31,42 5,43 63,44 1.078,45 -0.089,46 33522,47 0.86,48 1.931,49 35.787,50 1.338,51 1.449,52 1.207,53 1.144,54 144,55 13.66,56 -0.115,58 4.737,59 341.362,60 341.362,61 341.362,62 341.362,63 3.745,64 3.745,65 7.891,66 7.891,67 7.891,68 5.655,69 4.74}
{0 CHEMBL1629777,2 7,3 1,4 24.664,5 329.591,6 9,7 390.881,8 1,9 8.54,10 1,11 18.011,12 0.825,13 4.866,14 1,15 3.982,16 0.121,17 4.021,18 1,19 1507,20 12.412,21 282.506,22 1.581,23 1.62,24 1,25 0.469,26 7.463,27 38.235,28 1,29 0.258,30 5.174,31 1,32 1.431,33 0.968,34 3,35 14917,36 4.887,37 65.521,38 7.037,39 339.763,40 58,41 29,42 4,43 60,44 1.148,45 -0.203,46 31491,47 0.823,48 1.931,49 32.486,50 1.358,51 1.41,52 1.202,53 1.135,54 132,55 13.833,56 -0.189,58 4.69,59 329.591,60 329.591,61 329.591,62 329.591,63 3.753,64 3.753,65 7.984,66 7.984,67 7.984,68 5.822,69 5.05}
{0 CHEMBL1629779,2 10,3 1,4 27.413,5 364.904,6 11,7 426.194,8 1,9 8.906,10 1,11 36.022,12 0.825,13 5.332,15 3.983,16 0.111,17 4.099,18 1,19 1877,20 14.457,21 294.278,22 1.613,23 1.642,24 2,25 0.679,26 8.526,27 43.124,28 0.83,29 0.244,30 5.332,31 1,32 1.592,33 1.112,34 4,35 18169,36 4.982,37 72.351,38 8.364,39 384,40 64,41 33,42 6,43 66,44 1.054,45 -0.062,46 34429,47 0.899,48 1.931,49 37.593,50 1.191,51 1.596,52 1.303,53 1.236,54 179,55 13.917,56 -0.063,57 5,58 4.785,59 364.904,60 364.904,61 364.904,62 364.904,63 3.762,64 3.762,65 8.052,66 8.052,67 8.052,68 5.702,69 5.24}
{0 CHEMBL1629780,2 8,3 1,4 25.908,5 341.362,6 10,7 402.652,8 1,9 8.492,10 1,11 36.022,12 0.825,13 5.119,14 1,15 3.983,16 0.115,17 4.016,18 1,19 1660,20 13.553,21 223.651,22 1.59,23 1.627,24 2,25 0.469,26 8.003,27 38.4,28 1,29 0.252,30 5.273,31 1,32 1.439,33 1.069,34 5,35 16448,36 4.93,37 68.936,38 7.728,39 361.775,40 61,41 31,42 5,43 63,44 1.082,45 -0.089,46 32118,47 0.86,48 1.931,49 35.787,50 1.338,51 1.446,52 1.205,53 1.14,54 142,55 13.944,56 -0.115,58 4.737,59 341.362,60 341.362,61 341.362,62 341.362,63 3.764,64 3.764,65 8.061,66 8.061,67 8.061,68 5.705,69 4.53}
{0 CHEMBL1629781,2 8,3 1,4 24.387,5 317.82,6 9,7 379.109,8 1,9 8.261,10 1,11 36.022,12 0.825,13 5.19,14 1,15 3.982,16 0.118,17 3.978,18 1,19 1500,20 12.662,21 235.422,22 1.59,23 1.626,24 2,25 0.422,26 7.476,27 35.883,28 1,29 0.26,30 5.213,31 1,32 1.437,33 1.077,34 4,35 15009,36 4.877,37 65.521,38 7.342,39 339.763,40 58,41 29,42 4,43 60,44 1.092,45 -0.057,46 30379,47 0.822,48 1.931,49 33.611,50 1.233,51 1.429,52 1.204,53 1.138,54 141,55 13.916,56 -0.073,58 4.686,59 317.82,60 317.82,61 317.82,62 317.82,63 3.762,64 3.762,65 8.051,66 8.051,67 8.051,68 5.701,69 4.43}
{0 CHEMBL1629782,2 7,3 1,4 24.664,5 329.591,6 9,7 390.881,8 1,9 8.18,10 1,11 18.011,12 0.825,13 5.004,14 1,15 3.982,16 0.121,17 3.954,18 1,19 1477,20 12.412,21 282.506,22 1.588,23 1.623,24 1,25 0.469,26 7.463,27 34.954,28 1,29 0.264,30 5.174,31 1,32 1.432,33 0.968,34 3,35 14917,36 4.887,37 65.521,38 7.037,39 339.763,40 58,41 29,42 4,43 60,44 1.15,45 -0.203,46 30195,47 0.823,48 1.931,49 32.486,50 1.358,51 1.408,52 1.202,53 1.135,54 132,55 14.137,56 -0.189,58 4.69,59 329.591,60 329.591,61 329.591,62 329.591,63 3.775,64 3.775,65 8.176,66 8.176,67 8.176,68 5.841,69 4.66}
{0 CHEMBL1629784,2 9,3 1,4 26.166,5 353.133,6 10,7 414.423,8 1,9 8.866,10 1,11 18.011,12 0.825,13 5.099,14 1,15 3.983,16 0.117,17 4.095,18 1,19 1700,20 13.299,21 329.591,22 1.611,23 1.623,24 1,25 0.626,26 7.987,27 43.2,28 1,29 0.273,30 5.252,31 1,32 1.545,33 1.044,34 1,35 16650,36 4.94,37 68.936,38 7.735,39 361.775,40 61,41 31,42 3,43 63,44 1.079,45 -0.048,46 32590,47 0.862,48 1.928,49 34.908,50 1.212,51 1.548,52 1.286,53 1.216,54 176,55 14.927,56 -0.052,57 5,58 4.741,59 353.133,60 353.133,61 353.133,62 353.133,63 3.836,64 3.836,65 8.74,66 8.74,67 8.74,68 6.061,69 4.78}
{0 CHEMBL1629785,2 8,3 1,4 24.653,5 329.591,6 9,7 390.881,8 1,9 8.502,10 1,11 18.011,12 0.825,13 5.017,14 1,15 3.982,16 0.121,17 4.029,18 1,19 1537,20 12.396,21 306.049,22 1.546,23 1.577,24 1,25 0.528,26 7.463,27 39.862,28 1,29 0.282,30 5.189,31 1,32 1.479,33 1.023,34 1,35 15118,36 4.886,37 65.521,38 7.235,39 339.763,40 58,41 29,42 2,43 60,44 1.089,45 -0.055,46 30483,47 0.823,48 1.928,49 32.866,50 1.233,51 1.495,52 1.18,53 1.129,54 159,55 14.927,56 -0.062,57 3,58 4.69,59 329.591,60 329.591,61 329.591,62 329.591,63 3.836,64 3.836,65 8.74,66 8.74,67 8.74,68 6.061,69 4.49}
{0 CHEMBL1629786,2 7,3 1,4 24.647,5 329.591,6 9,7 390.881,8 1,9 8.418,10 1,11 18.011,12 0.825,13 4.866,14 1,15 3.982,16 0.121,17 4.005,18 1,19 1514,20 12.386,21 258.964,22 1.543,23 1.567,24 1,25 0.469,26 7.463,27 38.932,28 1,29 0.282,30 5.188,31 1,32 1.429,33 0.995,34 2,35 15027,36 4.886,37 65.521,38 7.099,39 339.763,40 58,41 29,42 2,43 60,44 1.111,45 -0.078,46 30299,47 0.823,48 1.928,49 32.992,50 1.358,51 1.422,52 1.153,53 1.086,54 134,55 14.928,56 -0.11,58 4.69,59 329.591,60 329.591,61 329.591,62 329.591,63 3.836,64 3.836,65 8.74,66 8.74,67 8.74,68 6.061,69 4.28}
{0 CHEMBL1629787,2 7,3 1,4 23.114,5 306.049,6 8,7 367.338,8 1,9 8.157,10 1,11 18.011,12 0.825,13 4.931,14 1,15 3.981,16 0.125,17 3.962,18 1,19 1380,20 11.482,21 270.735,22 1.543,23 1.564,24 1,25 0.261,26 6.936,27 36.469,28 1,29 0.291,30 5.122,31 1,32 1.429,33 0.999,34 1,35 13680,36 4.83,37 62.106,38 6.713,39 317.975,40 55,41 27,42 1,43 57,44 1.124,45 -0.043,46 28568,47 0.785,48 1.928,49 30.771,50 1.255,51 1.403,52 1.153,53 1.079,54 142,55 14.927,56 -0.064,58 4.637,59 306.049,60 306.049,61 306.049,62 306.049,63 3.836,64 3.836,65 8.74,66 8.74,67 8.74,68 6.061,69 4.36}
{0 CHEMBL1629790,2 9,3 1,4 26.166,5 353.133,6 10,7 414.423,8 1,9 8.443,10 1,11 18.011,12 0.825,13 5.23,14 1,15 3.983,16 0.117,17 4.019,18 1,19 1684,20 13.299,21 329.591,22 1.61,23 1.619,24 1,25 0.629,26 7.987,27 40.427,28 1,29 0.274,30 5.252,31 1,32 1.551,33 1.044,34 1,35 16650,36 4.94,37 68.936,38 7.735,39 361.775,40 61,41 31,42 3,43 63,44 1.083,45 -0.048,46 31134,47 0.862,48 1.928,49 34.908,50 1.212,51 1.554,52 1.296,53 1.228,54 168,55 14.983,56 -0.052,57 5,58 4.741,59 353.133,60 353.133,61 353.133,62 353.133,63 3.845,64 3.845,65 8.763,66 8.763,67 8.763,68 6.064,69 5}
{0 CHEMBL1629791,2 7,3 1,4 24.647,5 329.591,6 9,7 390.881,8 1,9 8.02,10 1,11 18.011,12 0.825,13 5.004,14 1,15 3.983,16 0.121,17 3.931,18 1,19 1493,20 12.386,21 258.964,22 1.55,23 1.566,24 1,25 0.469,26 7.463,27 35.807,28 1,29 0.283,30 5.188,31 1,32 1.429,33 0.995,34 2,35 15027,36 4.886,37 65.521,38 7.099,39 339.763,40 58,41 29,42 2,43 60,44 1.115,45 -0.078,46 28947,47 0.823,48 1.928,49 32.992,50 1.358,51 1.428,52 1.153,53 1.082,54 131,55 14.985,56 -0.11,58 4.69,59 329.591,60 329.591,61 329.591,62 329.591,63 3.845,64 3.845,65 8.763,66 8.763,67 8.763,68 6.064,69 4.45}
{0 CHEMBL1629792,2 7,3 1,4 23.114,5 306.049,6 8,7 367.338,8 1,9 7.788,10 1,11 18.011,12 0.825,13 5.077,14 1,15 3.982,16 0.125,17 3.89,18 1,19 1356,20 11.482,21 270.735,22 1.55,23 1.564,24 1,25 0.262,26 6.936,27 33.378,28 1,29 0.292,30 5.122,31 1,32 1.429,33 0.999,34 1,35 13680,36 4.83,37 62.106,38 6.713,39 317.975,40 55,41 27,42 1,43 57,44 1.127,45 -0.043,46 27320,47 0.785,48 1.928,49 30.771,50 1.255,51 1.405,52 1.153,53 1.073,54 132,55 14.983,56 -0.064,58 4.637,59 306.049,60 306.049,61 306.049,62 306.049,63 3.845,64 3.845,65 8.763,66 8.763,67 8.763,68 6.064,69 4.26}
{0 CHEMBL1629793,2 6,3 1,4 23.412,5 317.82,6 8,7 379.109,8 1,9 7.704,10 1,12 0.825,13 4.881,14 1,15 3.982,16 0.125,17 3.864,18 1,19 1334,20 11.228,21 317.82,22 1.549,23 1.56,25 0.469,26 6.925,27 32.449,28 1,29 0.292,30 5.079,31 1,32 1.429,33 0.883,35 13590,36 4.841,37 62.106,38 6.408,39 317.975,40 55,41 27,42 1,43 57,44 1.19,45 -0.203,46 27140,47 0.786,48 1.928,49 29.541,50 1.379,51 1.376,52 1.153,53 1.064,54 122,55 14.993,56 -0.194,58 4.64,59 317.82,60 317.82,61 317.82,62 317.82,63 3.847,64 3.847,65 8.766,66 8.766,67 8.766,68 6.065,69 4.63}
{0 CHEMBL1629794,2 4,3 1,4 22.808,5 302.955,6 7,7 270.735,8 1,9 5.807,10 1,11 17.888,12 0.825,13 4.569,14 1,15 4.027,16 0.171,17 3.392,18 1,19 868,20 10.394,21 270.735,22 1.539,23 1.492,24 1,25 0.268,26 6.336,27 19,28 1,29 0.42,30 5.039,31 1,32 1.429,33 0.857,35 18435,36 4.741,37 54.065,38 6.22,39 268.078,40 48,41 24,43 51,44 1.014,45 0.094,46 13745,47 0.755,48 1.982,49 32.51,50 1.099,51 1.376,52 1.153,53 1.063,54 98,55 18.879,56 0.029,58 4.534,59 270.735,60 270.735,61 270.735,62 270.735,63 4.155,64 4.155,65 11.348,66 11.348,67 11.348,68 6.829,69 4.301}
{0 CHEMBL1629795,2 4,3 1,4 16.372,5 232.328,6 4,7 264.402,8 1,9 5.242,10 1,11 17.888,12 0.469,13 4.833,14 1,15 4.022,16 0.184,17 3.226,18 1,19 776,20 7.879,21 200.109,22 1.417,23 1.31,24 1,25 0.161,26 4.704,27 18.053,28 1,29 0.456,30 4.735,31 1,32 1.308,33 0.744,34 1,35 10825,36 4.505,37 45.89,38 5.315,39 219.66,40 41,41 18,42 1,43 43,44 1.047,45 -0.065,46 14524,47 0.608,48 1.971,49 25.479,50 1.478,51 1.239,52 0.951,53 0.916,54 82,55 18.934,56 -0.101,58 4.329,59 200.109,60 200.109,61 200.109,62 200.109,63 4.178,64 4.178,65 11.396,66 11.396,67 11.396,68 6.839,69 6.155}
{0 CHEMBL1629796,2 3,3 1,4 19.916,5 267.642,6 6,7 299.716,8 1,9 5.898,10 1,11 17.888,12 0.815,13 4.985,14 1,15 4.024,16 0.159,17 3.423,18 1,19 1064,20 9.191,21 235.422,22 1.513,23 1.455,24 1,25 0.26,26 5.488,27 21.456,28 1,29 0.393,30 4.982,31 1,32 1.429,33 0.784,35 21297,36 4.702,37 52.803,38 6.362,39 261.066,40 47,41 21,43 50,44 0.981,45 -0.008,46 20722,47 0.729,48 1.971,49 31.598,50 1.37,51 1.376,52 1.139,53 1.048,54 110,55 18.935,56 -0.079,58 4.519,59 235.422,60 235.422,61 235.422,62 235.422,63 4.178,64 4.178,65 11.396,66 11.396,67 11.396,68 6.839,69 6.301}
{0 CHEMBL1629797,2 1,3 1,4 7.97,5 149.931,6 1,7 182.005,8 1,9 4.114,10 1,11 17.888,12 0.242,13 4.748,14 1,15 4.019,16 0.219,17 2.775,18 1,19 394,20 4.959,21 117.711,22 1.111,23 1.084,24 1,26 2.796,27 11.197,28 1,29 0.543,30 4.386,31 1,32 1.021,33 0.797,34 1,35 6999,36 4.123,37 33.146,38 4.023,39 147.207,40 30,41 11,43 32,44 1.215,45 0.03,46 9492,47 0.417,48 1.97,49 17.344,50 1.462,51 0.977,52 0.813,53 0.755,54 42,55 18.939,56 -0.025,58 4.002,59 117.711,60 117.711,61 117.711,62 117.711,63 4.178,64 4.178,65 11.406,66 11.406,67 11.406,68 6.841,69 4}
{0 CHEMBL1629798,3 1,4 8.015,5 126.388,7 94.169,8 1,9 3.459,10 1,12 0.165,13 3.764,14 1,15 4.01,16 0.271,17 2.554,18 1,19 142,20 4.389,21 94.169,22 1.109,23 1.035,26 2.584,27 6.373,28 0.83,29 0.649,30 4.196,32 0.979,33 0.835,35 4073,36 3.918,37 27.577,38 3.096,39 116.096,40 25,41 10,43 27,44 1.109,45 -0.047,46 3957,47 0.365,48 1.971,49 14.163,50 1.231,51 0.942,52 0.621,53 0.538,54 20,55 18.567,56 -0.012,58 3.793,59 94.169,60 94.169,61 94.169,62 94.169,63 4.138,64 4.138,65 11.036,66 11.036,67 11.036,68 6.769,69 4}
{0 CHEMBL1629799,3 1,4 10.476,5 184.302,6 2,7 242.463,8 1,9 4.079,10 1,12 0.393,13 4.515,15 4.177,16 0.159,17 2.671,18 1,19 496,20 6.052,21 153.024,22 1.287,23 1.309,25 0.085,26 3.393,27 12.364,28 0.83,29 0.52,30 4.572,32 1.179,33 0.76,35 10100,36 4.295,37 38.771,38 4.807,39 179.525,40 35,41 13,43 37,44 1.502,45 0.145,46 12677,47 0.482,48 1.977,49 19.864,50 1.544,51 1.105,52 1.031,53 0.951,54 42,55 20.044,56 0.119,58 4.164,59 153.024,60 153.024,61 153.024,62 153.024,63 4.306,64 4.306,65 12.489,66 12.489,67 12.489,68 7.152,69 4}
{0 CHEMBL1632336,2 10,3 1,4 27.413,5 364.904,6 11,7 426.194,8 1,9 9.324,10 1,11 36.022,12 0.825,13 5.207,15 3.983,16 0.111,17 4.17,18 1,19 1901,20 14.457,21 294.278,22 1.615,23 1.647,24 2,25 0.675,26 8.526,27 46.117,28 0.83,29 0.239,30 5.332,31 1,32 1.586,33 1.112,34 4,35 18169,36 4.982,37 72.351,38 8.364,39 384,40 64,41 33,42 6,43 66,44 1.05,45 -0.062,46 35941,47 0.899,48 1.931,49 37.593,50 1.191,51 1.59,52 1.298,53 1.228,54 188,55 13.65,56 -0.063,57 5,58 4.785,59 364.904,60 364.904,61 364.904,62 364.904,63 3.744,64 3.744,65 7.889,66 7.889,67 7.889,68 5.655,69 4.93}
{0 CHEMBL1644721,1 1,2 1,3 1,4 14.819,5 176.567,6 6,7 176.567,8 1,9 4.413,10 1,11 16.602,12 0.534,13 4.466,14 1,15 4.108,16 0.185,17 2.952,18 1,19 368,20 7.822,21 178.282,22 1.417,23 1.389,26 4.351,27 13,28 1,29 0.508,30 4.694,31 1,32 1.308,33 0.758,34 2,35 8036,36 4.46,37 41.983,38 4.703,39 192.75,40 37,41 17,42 4,43 39,44 0.979,45 -0.15,46 7761,47 0.595,48 2.047,49 18.672,50 1.522,51 1.239,52 0.934,53 0.806,54 42,55 18.726,56 -0.046,57 6,58 4.252,59 176.567,60 176.567,61 176.567,62 176.567,63 4.225,64 4.225,65 11.183,66 11.183,67 11.183,68 6.802,69 5.284}
{0 CHEMBL1644722,1 1,2 1,3 1,4 17.088,5 200.109,6 8,7 200.109,8 1,9 4.777,10 1,11 16.602,12 0.747,13 4.626,14 1,15 4.114,16 0.163,17 3.084,18 1,19 498,20 9.455,21 154.74,22 1.463,23 1.449,25 0.094,26 5.031,27 15.364,28 1,29 0.449,30 4.941,31 1,32 1.389,33 0.945,34 2,35 14334,36 4.6,37 46.398,38 5.957,39 219.66,40 41,41 19,42 6,43 44,44 1.098,45 -0.027,46 9949,47 0.66,48 2.047,49 24.277,50 1.322,51 1.37,52 1.137,53 1.056,54 50,55 18.759,56 0.05,57 6,58 4.406,59 200.109,60 200.109,61 200.109,62 200.109,63 4.229,64 4.229,65 11.214,66 11.214,67 11.214,68 6.808,69 5.252}
{0 CHEMBL1644723,1 1,2 1,3 1,4 18.705,5 223.651,6 9,7 223.651,8 1,9 4.996,10 1,11 16.602,12 0.75,13 4.732,14 1,15 4.114,16 0.157,17 3.162,18 1,19 572,20 10.411,21 178.282,22 1.485,23 1.429,25 0.125,26 5.583,27 16.733,28 1,29 0.431,30 5.036,31 1,32 1.391,33 0.975,34 2,35 16822,36 4.671,37 49.813,38 6.457,39 240.215,40 44,41 21,42 7,43 47,44 1.078,45 -0.007,46 10879,47 0.699,48 2.05,49 26.889,50 1.302,51 1.37,52 1.138,53 1.059,54 64,55 18.759,56 0.069,57 8,58 4.473,59 223.651,60 223.651,61 223.651,62 223.651,63 4.229,64 4.229,65 11.214,66 11.214,67 11.214,68 6.807,69 5.444}
{0 CHEMBL1644724,1 1,2 2,3 1,4 12.449,5 129.482,6 5,7 141.253,8 1,9 4.845,10 1,11 51.643,12 0.539,13 4.837,14 1,15 4.106,16 0.177,17 3.128,18 1,19 465,20 7.065,21 142.969,22 1.424,23 1.39,24 1,26 3.743,27 15.769,28 1,29 0.485,30 4.68,31 1,32 1.202,33 0.926,34 4,35 9175,36 4.373,37 40.568,38 4.827,39 186.117,40 36,41 15,42 4,43 38,44 0.993,45 -0.088,46 10388,47 0.57,48 2.046,49 17.643,50 1.418,51 1.209,52 0.911,53 0.837,54 70,55 18.687,56 0.015,57 6,58 4.195,59 141.253,60 141.253,61 141.253,62 141.253,63 4.216,64 4.216,65 11.145,66 11.145,67 11.145,68 6.792,69 5.585}
{0 CHEMBL1644725,1 1,2 2,3 1,4 17.87,5 223.651,6 6,7 223.651,8 1,9 4.883,10 1,11 16.602,12 0.743,13 4.799,14 1,15 4.14,16 0.141,17 3.044,18 1,19 912,20 9.944,21 225.366,22 1.463,23 1.453,25 0.218,26 5.539,27 18.237,28 1,29 0.433,30 4.926,31 1,32 1.386,33 0.788,34 2,35 20841,36 4.665,37 52.813,38 5.798,39 261.066,40 47,41 21,42 4,43 50,44 1.05,45 -0.038,46 14905,47 0.717,48 2.079,49 23.244,50 1.46,51 1.367,52 1.137,53 1.057,54 74,55 20.258,56 0.034,57 6,58 4.475,59 223.651,60 223.651,61 223.651,62 223.651,63 4.379,64 4.379,65 12.551,66 12.551,67 12.551,68 7.161,69 5.125}
{0 CHEMBL1644726,1 1,2 1,3 1,4 12.467,5 141.253,6 5,7 152.253,8 1,9 4.273,10 1,11 16.602,12 0.524,13 4.597,14 1,15 4.102,16 0.194,17 2.909,18 1,19 327,20 6.655,21 142.969,22 1.412,23 1.389,26 3.578,27 11.906,28 1,29 0.531,30 4.563,31 1,32 1.199,33 0.817,34 2,35 7173,36 4.317,37 37.279,38 4.423,39 166.465,40 33,41 14,42 4,43 35,44 1.017,45 -0.093,46 7694,47 0.511,48 2.043,49 15.787,50 1.462,51 1.203,52 0.873,53 0.806,54 43,55 18.685,56 0.033,57 6,58 4.146,59 141.253,60 141.253,61 141.253,62 141.253,63 4.214,64 4.214,65 11.143,66 11.143,67 11.143,68 6.792,69 5.018}
{0 CHEMBL1644727,1 1,2 2,3 1,4 14.06,5 164.795,6 6,7 175.795,8 1,9 4.532,10 1,11 16.602,12 0.555,13 4.705,14 1,15 4.103,16 0.185,17 3.011,18 1,19 382,20 7.63,21 131.197,22 1.424,23 1.39,26 4.142,27 13.7,28 1,29 0.507,30 4.69,31 1,32 1.201,33 0.892,34 2,35 8127,36 4.409,37 40.694,38 4.981,39 186.117,40 36,41 16,42 4,43 38,44 1.133,45 0.048,46 8395,47 0.55,48 2.043,49 19.037,50 1.441,51 1.207,52 0.884,53 0.816,54 56,55 18.687,56 0.14,57 6,58 4.232,59 164.795,60 164.795,61 164.795,62 164.795,63 4.214,64 4.214,65 11.145,66 11.145,67 11.145,68 6.792,69 4.523}
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{0 CHEMBL1644818,1 1,2 2,3 1,4 13.538,5 164.795,6 4,7 203.944,8 1,9 5.888,10 1,11 16.602,12 0.624,13 4.919,14 1,15 4.105,16 0.146,17 3.445,18 1,19 848,20 7.251,21 166.511,22 1.459,23 1.43,25 0.103,26 4.037,27 22.23,28 1,29 0.399,30 4.796,31 1,32 1.213,33 0.827,34 2,35 22122,36 4.512,37 45.927,38 5.224,39 219.66,40 41,41 16,42 1,43 44,44 1.036,45 -0.175,46 20642,47 0.625,48 2.037,49 18.476,50 1.388,51 1.236,52 1.004,53 0.944,54 91,55 18.707,56 -0.138,58 4.349,59 164.795,60 164.795,61 164.795,62 164.795,63 4.218,64 4.218,65 11.163,66 11.163,67 11.163,68 6.796,69 4}
{0 CHEMBL1651087,2 3,3 1,4 12.824,5 153.024,6 5,7 232.447,8 1,9 5.012,10 1,12 0.48,13 4.572,14 1,15 4.117,16 0.163,17 3.16,18 1,19 544,20 6.235,21 94.169,22 1.445,23 1.461,26 3.723,27 15.034,28 1,29 0.549,30 4.555,31 1,32 1.308,33 0.796,35 12235,36 4.346,37 38.953,38 4.986,39 179.525,40 35,41 14,42 1,43 38,44 0.978,45 -0.054,46 12709,47 0.439,48 1.958,49 16.959,50 1.648,51 1.239,52 0.934,53 0.804,54 60,55 20.2,56 -0.169,58 4.236,59 164.795,60 164.795,61 164.795,62 164.795,63 4.488,64 4.488,65 13.182,66 13.182,67 13.182,68 7.475,69 4.194}
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{0 CHEMBL1651810,2 9,3 1,4 18.83,5 188.338,6 6,7 281.311,9 6.99,11 72.043,12 0.635,13 5.087,15 4.009,16 0.152,17 3.716,18 0.88,19 930,20 9.09,21 188.338,22 1.556,23 1.568,24 4,25 0.161,26 5.375,27 25.771,28 0.83,29 0.455,30 4.983,32 1.307,33 1.088,34 6,35 6361,36 4.646,37 53.857,38 5.933,39 261.066,40 47,41 23,43 48,44 0.936,45 0.057,46 18333,47 0.696,48 1.957,49 26.745,50 1.384,51 1.337,52 1.002,53 0.947,54 130,55 18.906,56 0.134,58 4.449,59 188.338,60 188.338,61 188.338,62 188.338,63 4.229,64 4.229,65 11.364,66 11.364,67 11.364,68 6.879,69 4.721}
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{0 CHEMBL1651812,2 3,3 1,4 6.039,5 70.627,7 299.886,8 1,9 6.417,10 1,11 35.899,12 0.178,13 5.248,14 1,15 4.016,16 0.136,17 3.551,18 1,19 992,20 4.53,21 82.398,22 1.146,23 1.227,24 2,26 2.509,27 22.024,28 1,29 0.419,30 4.6,31 1,32 1.134,33 0.906,34 10,35 12063,36 4.279,37 42.562,38 4.802,39 199.421,40 38,41 12,43 40,44 0.856,45 -0.183,46 30910,47 0.54,48 1.952,49 12.833,50 1.549,51 1.172,52 0.884,53 0.861,54 104,55 19.295,56 -0.14,58 4.196,59 82.398,60 82.398,61 82.398,62 82.398,63 4.267,64 4.267,65 11.724,66 11.724,67 11.724,68 6.975,69 4.523}
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{0 CHEMBL1762834,1 1,2 4,3 1,4 25.234,5 306.049,6 8,7 350.048,9 5.884,12 0.747,13 5.175,15 4.164,16 0.095,17 3.315,18 0.75,19 2244,20 13.211,21 306.049,22 1.59,23 1.565,25 0.584,26 7.533,27 29.61,28 0.67,29 0.322,30 5.186,32 1.558,33 0.768,34 2,35 141295,36 4.957,37 70.232,38 7.994,39 376.569,40 63,41 28,42 4,43 68,44 1.037,45 0.024,46 35693,47 0.839,48 2.116,49 31.109,50 1.392,51 1.543,52 1.227,53 1.17,54 134,55 20.609,56 0.058,57 7,58 4.811,59 306.049,60 306.049,61 306.049,62 306.049,63 4.425,64 4.425,65 12.869,66 12.869,67 12.869,68 7.235,69 5}
{0 CHEMBL1762835,1 1,2 2,3 1,4 17.326,5 223.651,6 5,7 285.398,9 5.786,12 0.747,13 5.313,15 4.166,16 0.103,17 3.34,18 0.75,19 1788,20 10.819,21 223.651,22 1.582,23 1.558,25 0.26,26 5.735,27 27.352,28 0.67,29 0.347,30 5.118,32 1.532,33 0.938,34 2,35 113882,36 4.761,37 58.86,38 6.926,39 303.58,40 53,41 21,42 4,43 58,44 1.015,45 -0.012,46 33480,47 0.73,48 2.118,49 26.613,50 1.348,51 1.543,52 1.236,53 1.203,54 130,55 20.594,56 0.043,57 7,58 4.636,59 223.651,60 223.651,61 223.651,62 223.651,63 4.419,64 4.419,65 12.854,66 12.854,67 12.854,68 7.232,69 5}
{0 CHEMBL1766151,2 4,3 1,4 20.349,5 258.964,6 7,7 270.735,8 1,9 6.395,10 1,11 18.011,12 0.789,13 4.987,15 4.095,16 0.112,17 3.562,18 0.88,19 879,20 11.092,21 223.651,22 1.571,23 1.525,24 1,25 0.304,26 6.392,27 20.166,28 0.83,29 0.364,30 5.054,32 1.449,33 0.983,34 2,35 18946,36 4.728,37 55.145,38 6.106,39 275.121,40 49,41 24,42 2,43 52,44 0.977,45 -0.081,46 15612,47 0.736,48 2.081,49 27.553,50 1.078,51 1.422,52 1.205,53 1.123,54 95,55 16.978,56 -0.054,57 4,58 4.531,59 270.735,60 270.735,61 270.735,62 270.735,63 4.031,64 4.031,65 10.196,66 10.196,67 10.196,68 6.506,69 5.658}
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{0 CHEMBL1770196,1 1,2 7,3 1,4 20.644,5 270.735,6 7,7 318.651,8 1,9 6.355,10 1,12 0.869,13 4.976,14 1,15 4.162,16 0.123,17 3.554,18 1,19 1097,20 10.97,21 188.338,22 1.725,23 1.638,25 0.373,26 6.544,27 27.117,28 1,29 0.417,30 5.028,31 1,32 1.563,33 0.852,35 34395,36 4.749,37 56.983,38 6.506,39 289.294,40 51,41 24,42 1,43 54,44 0.935,45 0.191,46 18645,47 0.691,48 2.12,49 27.522,50 1.352,51 1.562,52 1.351,53 1.256,54 116,55 20.521,56 0.207,58 4.57,59 282.506,60 282.506,61 282.506,62 282.506,63 4.403,64 4.403,65 12.521,66 12.521,67 12.521,68 7.154,69 5.569}
{0 CHEMBL1770197,1 1,2 6,3 1,4 21.802,5 282.506,6 7,7 330.422,8 1,9 6.018,10 1,12 0.869,13 4.965,14 1,15 4.163,16 0.123,17 3.461,18 1,19 1037,20 11.273,21 223.651,22 1.673,23 1.638,25 0.402,26 6.732,27 24.483,28 1,29 0.417,30 5.089,31 1,32 1.519,33 0.768,35 33375,36 4.79,37 58.19,38 6.203,39 296.423,40 52,41 25,43 55,44 0.884,45 0.1,46 16707,47 0.716,48 2.12,49 29.491,50 1.596,51 1.5,52 1.293,53 1.22,54 99,55 20.522,56 0.091,58 4.604,59 294.278,60 294.278,61 294.278,62 294.278,63 4.403,64 4.403,65 12.522,66 12.522,67 12.522,68 7.154,69 6.15}
{0 CHEMBL1770198,1 1,2 4,3 1,4 18.671,5 235.422,6 5,7 283.338,8 1,9 5.529,10 1,12 0.553,13 4.67,14 1,15 4.162,16 0.132,17 3.337,18 1,19 830,20 9.288,21 247.193,22 1.49,23 1.471,25 0.402,26 5.631,27 21.36,28 1,29 0.447,30 4.917,31 1,32 1.318,33 0.652,35 28163,36 4.662,37 51.36,38 5.073,39 254.084,40 46,41 21,43 49,44 1.164,45 -0.125,46 14097,47 0.635,48 2.12,49 24.108,50 1.643,51 1.329,52 1.165,53 1.12,54 85,55 20.522,56 -0.123,58 4.483,59 247.193,60 247.193,61 247.193,62 247.193,63 4.403,64 4.403,65 12.522,66 12.522,67 12.522,68 7.154,69 6.012}
{0 CHEMBL1770199,1 1,2 4,3 1,4 19.682,5 247.193,6 7,7 295.109,8 1,9 6.184,10 1,12 0.825,13 5.043,14 1,15 4.162,16 0.119,17 3.516,18 0.88,19 1059,20 10.566,21 211.88,22 1.515,23 1.529,25 0.401,26 6.097,27 25.449,28 1,29 0.404,30 5.072,31 1,32 1.429,33 0.9,35 48697,36 4.737,37 54.567,38 6.642,39 275.121,40 49,41 22,42 3,43 53,44 0.992,45 0.111,46 19572,47 0.665,48 2.12,49 28.317,50 1.125,51 1.376,52 1.179,53 1.155,54 114,55 20.522,56 0.121,57 2,58 4.574,59 258.964,60 258.964,61 258.964,62 258.964,63 4.403,64 4.403,65 12.522,66 12.522,67 12.522,68 7.154,69 6.141}
{0 CHEMBL1770200,1 1,2 4,3 1,4 17.954,5 223.651,6 6,7 271.567,8 1,9 5.887,10 1,12 0.793,13 4.958,14 1,15 4.162,16 0.123,17 3.441,18 0.88,19 934,20 9.515,21 188.338,22 1.558,23 1.574,25 0.221,26 5.525,27 23.604,28 1,29 0.417,30 4.981,31 1,32 1.434,33 0.872,35 42411,36 4.671,37 51.152,38 6.142,39 254.084,40 46,41 20,42 2,43 50,44 1,45 0.103,46 18000,47 0.623,48 2.12,49 25.552,50 1.142,51 1.412,52 1.195,53 1.16,54 98,55 20.522,56 0.106,58 4.514,59 235.422,60 235.422,61 235.422,62 235.422,63 4.403,64 4.403,65 12.522,66 12.522,67 12.522,68 7.154,69 6.102}
{0 CHEMBL1770201,1 1,2 6,3 1,4 19.044,5 247.193,6 6,7 295.109,8 1,9 5.894,10 1,12 0.869,13 4.887,14 1,15 4.162,16 0.127,17 3.438,18 1,19 944,20 9.986,21 188.338,22 1.67,23 1.638,25 0.236,26 5.989,27 24.047,28 1,29 0.432,30 4.949,31 1,32 1.507,33 0.818,35 30945,36 4.684,37 53.567,38 6.012,39 268.078,40 48,41 22,43 51,44 0.87,45 0.212,46 16620,47 0.65,48 2.12,49 25.307,50 1.37,51 1.494,52 1.29,53 1.219,54 102,55 20.522,56 0.206,58 4.51,59 258.964,60 258.964,61 258.964,62 258.964,63 4.403,64 4.403,65 12.522,66 12.522,67 12.522,68 7.154,69 5.828}
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{0 CHEMBL1770203,1 1,2 4,3 1,4 20.939,5 258.964,6 7,7 306.88,8 1,9 6.012,10 1,12 0.826,13 5.029,14 1,15 4.164,16 0.119,17 3.464,18 0.88,19 1027,20 10.903,21 223.651,22 1.599,23 1.601,25 0.402,26 6.304,27 24.044,28 1,29 0.404,30 5.116,31 1,32 1.464,33 0.813,35 44859,36 4.778,37 55.775,38 6.333,39 282.193,40 50,41 23,42 2,43 54,44 1.005,45 0.004,46 18089,47 0.692,48 2.12,49 29.688,50 1.422,51 1.444,52 1.219,53 1.167,54 95,55 20.522,56 0.003,58 4.607,59 270.735,60 270.735,61 270.735,62 270.735,63 4.403,64 4.403,65 12.522,66 12.522,67 12.522,68 7.154,69 6.52}
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{0 CHEMBL1770209,1 1,2 5,3 1,4 17.902,5 223.651,6 5,7 260.567,8 1,9 5.733,10 1,11 18.011,12 0.585,13 4.969,14 1,15 4.165,16 0.132,17 3.404,18 1,19 864,20 9.483,21 211.88,22 1.563,23 1.559,24 1,25 0.359,26 5.64,27 22.992,28 1,29 0.447,30 4.896,31 1,32 1.342,33 0.775,34 3,35 28751,36 4.644,37 51.441,38 5.435,39 254.084,40 46,41 21,42 1,43 49,44 1.032,45 0.005,46 15009,47 0.66,48 2.124,49 23.158,50 1.388,51 1.342,52 1.167,53 1.128,54 104,55 20.521,56 0.037,58 4.458,59 235.422,60 235.422,61 235.422,62 235.422,63 4.404,64 4.404,65 12.521,66 12.521,67 12.521,68 7.154,69 5.475}
{0 CHEMBL1782708,2 2,3 1,4 24.748,5 338.268,6 10,7 306.049,8 1,9 5.124,12 0.961,13 4.888,15 4.05,16 0.159,17 3.135,18 0.88,19 865,20 13.141,21 223.651,22 1.627,23 1.581,25 0.428,26 7.329,27 15.984,28 1,29 0.393,30 5.232,32 1.37,33 0.989,35 36256,36 4.817,37 56.899,38 7.579,39 289.294,40 51,41 26,42 6,43 55,44 0.902,45 0.048,46 12463,47 0.724,48 1.996,49 38.162,50 0.904,51 1.332,52 1.109,53 1.035,54 72,55 18.942,56 0.039,57 4,58 4.632,59 306.049,60 306.049,61 306.049,62 306.049,63 4.179,64 4.179,65 11.411,66 11.411,67 11.411,68 6.844,69 5.699}
{0 CHEMBL1782709,2 2,3 1,4 27.576,5 373.581,6 11,7 341.362,8 1,9 5.188,10 1,12 0.978,13 4.968,14 1,15 4.078,16 0.154,17 3.141,18 0.88,19 928,20 14.418,21 258.964,22 1.688,23 1.65,25 0.434,26 8.047,27 16.331,28 1,29 0.452,30 5.337,31 1,32 1.48,33 0.937,35 39370,36 4.91,37 61.522,38 7.776,39 317.975,40 55,41 29,42 6,43 59,44 0.804,45 -0.002,46 12540,47 0.791,48 2.014,49 42.175,50 1.272,51 1.44,52 1.197,53 1.105,54 70,55 21.425,56 -0.016,57 4,58 4.716,59 341.362,60 341.362,61 341.362,62 341.362,63 4.424,64 4.424,65 13.554,66 13.554,67 13.554,68 7.554,69 6.292}
{0 CHEMBL1782710,2 2,3 1,4 25.46,5 326.497,6 11,7 294.278,9 5.66,12 0.962,13 5.296,15 4.061,16 0.14,17 3.281,18 0.75,19 1374,20 12.779,21 211.88,22 1.627,23 1.585,25 0.434,26 7.032,27 22.435,28 0.83,29 0.358,30 5.275,32 1.382,33 0.964,35 51566,36 4.906,37 61.333,38 8.505,39 310.764,40 54,41 25,42 6,43 58,44 0.928,45 0.011,46 25861,47 1.002,48 2,49 38.713,50 1.503,51 1.407,52 1.144,53 1.108,54 96,55 19.355,56 0.036,57 4,58 4.733,59 294.278,60 294.278,61 302.037,62 294.278,63 4.255,64 4.255,65 11.812,66 11.812,67 11.812,68 7.127,69 5.398}
{0 CHEMBL1782711,2 2,3 1,4 23.3,5 306.049,6 10,7 317.049,8 1,9 5.124,10 1,12 0.957,13 4.888,15 4.058,16 0.122,17 3.135,18 0.88,19 865,20 12.629,21 223.651,22 1.627,23 1.582,25 0.427,26 7.148,27 15.984,28 1,29 0.393,30 5.243,32 1.37,33 1.044,35 36256,36 4.827,37 57.188,38 7.294,39 289.294,40 51,41 26,42 6,43 55,44 0.932,45 0.006,46 12463,47 0.726,48 1.99,49 34.058,50 0.904,51 1.332,52 1.108,53 1.032,54 72,55 18.942,56 0.021,57 4,58 4.642,59 306.049,60 306.049,61 306.049,62 306.049,63 4.188,64 4.188,65 11.411,66 11.411,67 11.411,68 6.844,69 5.658}
{0 CHEMBL1782712,2 2,3 1,4 22.956,5 306.049,6 10,7 306.049,8 1,9 5.044,12 0.932,13 4.844,15 4.233,16 0.121,17 3.131,18 0.88,19 742,20 12.97,21 223.651,22 1.632,23 1.588,25 0.461,26 7.259,27 15.417,28 1,29 0.434,30 5.223,32 1.395,33 1.023,35 32545,36 4.812,37 55.979,38 7.213,39 282.193,40 50,41 26,42 6,43 54,44 0.909,45 0.028,46 10405,47 0.711,48 1.987,49 32.581,50 0.918,51 1.362,52 1.149,53 1.075,54 66,55 19.436,56 0.026,57 4,58 4.62,59 306.049,60 306.049,61 306.049,62 306.049,63 4.32,64 4.32,65 12.162,66 12.162,67 12.162,68 7.05,69 5.699}
{0 CHEMBL1782713,2 2,3 1,4 27.327,5 306.049,6 10,7 371.945,8 1,9 5.124,11 18.011,12 0.964,13 4.888,15 4.051,16 0.118,17 3.135,18 0.88,19 865,20 13.356,21 258.964,22 1.627,23 1.581,25 0.43,26 7.403,27 15.984,28 1,29 0.393,30 5.229,32 1.369,33 0.967,35 36256,36 4.816,37 56.845,38 7.739,39 289.294,40 51,41 26,42 6,43 55,44 0.881,45 0.051,46 12463,47 0.731,48 1.996,49 48.963,50 0.904,51 1.332,52 1.109,53 1.036,54 72,55 18.942,56 0.045,57 4,58 4.633,59 317.82,60 317.82,61 317.82,62 317.82,63 4.209,64 4.209,65 11.411,66 11.411,67 11.411,68 6.844,69 5.959}
{0 CHEMBL1782714,2 2,3 1,4 27.327,5 306.049,6 10,7 371.945,8 1,9 5.124,11 18.011,12 0.964,13 4.888,15 4.051,16 0.118,17 3.135,18 0.88,19 865,20 13.356,21 258.964,22 1.627,23 1.581,25 0.43,26 7.403,27 15.984,28 1,29 0.393,30 5.229,32 1.369,33 0.967,35 36256,36 4.816,37 56.845,38 7.739,39 289.294,40 51,41 26,42 6,43 55,44 0.881,45 0.051,46 12463,47 0.731,48 1.996,49 48.963,50 0.904,51 1.332,52 1.109,53 1.036,54 72,55 18.942,56 0.045,57 4,58 4.633,59 317.82,60 317.82,61 317.82,62 317.82,63 4.209,64 4.209,65 11.411,66 11.411,67 11.411,68 6.844,69 6.06}
{0 CHEMBL1782715,2 2,3 1,4 24.449,5 329.591,6 11,7 329.591,8 1,9 5.124,12 0.971,13 4.935,15 4.08,16 0.121,17 3.135,18 0.75,19 865,20 13.909,21 247.193,22 1.629,23 1.583,25 0.556,26 7.795,27 15.984,28 0.83,29 0.393,30 5.285,32 1.393,33 1.043,35 36256,36 4.869,37 59.394,38 7.55,39 303.58,40 53,41 28,42 7,43 57,44 0.89,45 -0.017,46 11291,47 0.752,48 2.036,49 34.857,50 0.904,51 1.355,52 1.199,53 1.143,54 72,55 18.942,56 -0.015,57 6,58 4.674,59 329.591,60 329.591,61 329.591,62 329.591,63 4.209,64 4.209,65 11.411,66 11.411,67 11.411,68 6.844,69 5.854}
{0 CHEMBL1782716,2 2,3 1,4 25.914,5 353.133,6 12,7 353.133,9 5.161,12 0.957,13 4.914,15 4.07,16 0.115,17 3.134,18 0.75,19 972,20 14.832,21 270.735,22 1.635,23 1.581,25 0.556,26 8.325,27 16.462,28 0.83,29 0.376,30 5.358,32 1.571,33 1.062,35 40210,36 4.924,37 62.809,38 8.05,39 325.212,40 56,41 30,42 8,43 60,44 0.88,45 0.004,46 12061,47 0.792,48 1.965,49 37.527,50 0.89,51 1.532,52 1.346,53 1.271,54 78,55 18.643,56 0.01,57 8,58 4.725,59 353.133,60 353.133,61 353.133,62 353.133,63 4.174,64 4.174,65 11.292,66 11.292,67 11.292,68 6.814,69 5.658}
{0 CHEMBL1782717,2 2,3 1,4 24.208,5 329.591,6 10,7 329.591,8 1,9 5.161,12 0.954,13 4.94,15 4.07,16 0.113,17 3.134,18 0.75,19 972,20 13.775,21 247.193,22 1.627,23 1.581,25 0.556,26 7.8,27 16.462,28 1,29 0.376,30 5.302,32 1.477,33 1.04,35 40210,36 4.866,37 60.394,38 7.554,39 310.764,40 54,41 28,42 6,43 58,44 0.899,45 0.02,46 12692,47 0.755,48 1.962,49 35.506,50 0.89,51 1.446,52 1.327,53 1.271,54 78,55 18.643,56 0.025,57 4,58 4.675,59 329.591,60 329.591,61 329.591,62 329.591,63 4.174,64 4.174,65 11.292,66 11.292,67 11.292,68 6.814,69 5.658}
{0 CHEMBL1782718,2 2,3 1,4 25.323,5 350.039,6 11,7 317.82,9 5.124,12 0.97,13 4.931,15 4.069,16 0.159,17 3.135,18 0.75,19 865,20 14.235,21 235.422,22 1.659,23 1.601,25 0.531,26 7.787,27 15.984,28 0.83,29 0.393,30 5.263,32 1.397,33 1.011,35 36256,36 4.829,37 57.816,38 7.967,39 296.423,40 52,41 27,42 7,43 56,44 0.912,45 0.07,46 12033,47 0.692,48 2.038,49 38.82,50 0.904,51 1.353,52 1.161,53 1.092,54 72,55 18.942,56 0.038,57 7,58 4.649,59 317.82,60 317.82,61 317.82,62 317.82,63 4.217,64 4.217,65 11.411,66 11.411,67 11.411,68 6.844,69 6.824}
{0 CHEMBL1782719,2 2,3 1,4 28.089,5 385.353,6 12,7 353.133,8 1,9 5.188,10 1,12 0.978,13 5.008,14 1,15 4.091,16 0.154,17 3.141,18 0.88,19 928,20 15.512,21 270.735,22 1.704,23 1.659,25 0.534,26 8.507,27 16.331,28 1,29 0.452,30 5.365,32 1.499,33 0.96,35 39370,36 4.921,37 62.439,38 8.164,39 325.212,40 56,41 30,42 7,43 60,44 0.842,45 0.021,46 12108,47 0.762,48 2.046,49 42.816,50 1.272,51 1.454,52 1.235,53 1.153,54 70,55 21.425,56 -0.012,57 7,58 4.731,59 353.133,60 353.133,61 353.133,62 353.133,63 4.425,64 4.425,65 13.554,66 13.554,67 13.554,68 7.554,69 6.387}
{0 CHEMBL1782720,2 2,3 1,4 25.332,5 338.268,6 11,7 348.732,8 1,9 5.062,10 1,12 0.967,13 4.973,15 4.073,16 0.155,17 3.119,18 0.75,19 964,20 14.028,21 200.109,22 1.646,23 1.599,25 0.489,26 7.683,27 16.923,28 0.83,29 0.497,30 5.281,32 1.397,33 0.991,34 3,35 37068,36 4.839,37 59.025,38 8.127,39 303.58,40 53,41 27,42 7,43 57,44 0.912,45 0.06,46 13708,47 0.712,48 2.031,49 40.095,50 1.272,51 1.365,52 1.158,53 1.094,54 78,55 23.514,56 0.044,57 4,58 4.669,59 306.049,60 306.049,61 306.049,62 306.049,63 4.618,64 4.618,65 14.915,66 14.915,67 14.915,68 7.921,69 6.022}
{0 CHEMBL1782721,2 1,3 1,4 23.329,5 326.497,6 9,7 294.278,9 5.124,12 0.918,13 4.884,15 4.069,16 0.159,17 3.135,18 0.75,19 865,20 13.067,21 211.88,22 1.606,23 1.553,25 0.435,26 7.218,27 15.984,28 0.83,29 0.393,30 5.18,32 1.358,33 0.971,35 36256,36 4.767,37 55.401,38 7.464,39 282.193,40 50,41 25,42 6,43 54,44 0.967,45 0.106,46 12486,47 0.649,48 2.037,49 35.972,50 0.904,51 1.317,52 1.14,53 1.074,54 72,55 18.942,56 0.077,57 4,58 4.594,59 294.278,60 294.278,61 294.278,62 294.278,63 4.217,64 4.217,65 11.411,66 11.411,67 11.411,68 6.844,69 6.032}
{0 CHEMBL1782722,2 1,3 1,4 24.62,5 341.362,6 11,7 341.362,9 5.161,12 0.916,13 4.909,15 4.086,16 0.111,17 3.134,18 0.75,19 972,20 14.85,21 258.964,22 1.635,23 1.571,25 0.556,26 8.26,27 16.462,28 0.83,29 0.376,30 5.311,32 1.553,33 1.042,35 40210,36 4.879,37 61.311,38 7.935,39 317.975,40 55,41 29,42 8,43 59,44 0.949,45 0.06,46 12082,47 0.725,48 2.003,49 35.594,50 0.89,51 1.52,52 1.364,53 1.308,54 78,55 18.643,56 0.047,57 8,58 4.69,59 341.362,60 341.362,61 341.362,62 341.362,63 4.211,64 4.211,65 11.292,66 11.292,67 11.292,68 6.814,69 5.377}
{0 CHEMBL1782723,2 1,3 1,4 22.882,5 317.82,6 9,7 317.82,9 5.161,12 0.914,13 4.86,15 4.087,16 0.11,17 3.134,18 0.75,19 972,20 13.739,21 235.422,22 1.606,23 1.553,25 0.556,26 7.711,27 16.462,28 0.83,29 0.376,30 5.252,32 1.477,33 1.021,35 40210,36 4.818,37 58.896,38 7.438,39 303.58,40 53,41 27,42 6,43 57,44 0.967,45 0.078,46 12715,47 0.683,48 1.998,49 33.551,50 0.89,51 1.446,52 1.327,53 1.283,54 78,55 18.643,56 0.062,57 4,58 4.638,59 317.82,60 317.82,61 317.82,62 317.82,63 4.211,64 4.211,65 11.292,66 11.292,67 11.292,68 6.814,69 5.699}
{0 CHEMBL1782724,2 2,3 1,4 23.392,5 317.82,6 11,7 317.82,8 1,9 5.044,12 0.932,13 4.888,15 4.117,16 0.128,17 3.131,18 0.75,19 742,20 14.063,21 235.422,22 1.656,23 1.598,25 0.531,26 7.719,27 15.417,28 0.83,29 0.434,30 5.255,32 1.397,33 1.045,35 32545,36 4.824,37 56.896,38 7.547,39 289.294,40 51,41 27,42 7,43 55,44 0.921,45 0.033,46 10011,47 0.682,48 1.96,49 33.404,50 0.918,51 1.353,52 1.159,53 1.088,54 66,55 19.436,56 0.02,57 7,58 4.636,59 317.82,60 317.82,61 317.82,62 317.82,63 4.351,64 4.351,65 12.162,66 12.162,67 12.162,68 7.05,69 6.201}
{0 CHEMBL1782725,2 2,3 1,4 23.392,5 317.82,6 11,7 317.82,8 1,9 5.044,12 0.932,13 4.888,15 4.117,16 0.128,17 3.131,18 0.75,19 742,20 14.063,21 235.422,22 1.656,23 1.598,25 0.531,26 7.719,27 15.417,28 0.83,29 0.434,30 5.255,32 1.397,33 1.045,35 32545,36 4.824,37 56.896,38 7.547,39 289.294,40 51,41 27,42 7,43 55,44 0.921,45 0.033,46 10011,47 0.682,48 1.96,49 33.404,50 0.918,51 1.353,52 1.159,53 1.088,54 66,55 19.436,56 0.02,57 7,58 4.636,59 317.82,60 317.82,61 317.82,62 317.82,63 4.351,64 4.351,65 12.162,66 12.162,67 12.162,68 7.05,69 5.959}
{0 CHEMBL1782726,2 4,3 1,4 23.348,5 329.591,6 10,7 329.591,8 1,9 5.188,12 0.955,13 4.585,15 4.024,16 0.123,17 3.14,18 0.88,19 832,20 13.148,21 247.193,22 1.627,23 1.581,25 0.427,26 7.618,27 16.222,28 0.83,29 0.389,30 5.241,32 1.369,33 1.109,35 9916,36 4.819,37 58.394,38 7.062,39 296.423,40 52,41 28,42 6,43 55,44 0.936,45 -0.012,46 10347,47 0.733,48 1.972,49 32.883,50 0.811,51 1.332,52 1.107,53 1.028,54 66,55 17.376,56 -0.017,57 4,58 4.617,59 329.591,60 329.591,61 329.591,62 329.591,63 4.057,64 4.057,65 10.503,66 10.503,67 10.503,68 6.585,69 5.092}
{0 CHEMBL1782727,2 4,3 1,4 23.7,5 341.362,6 11,7 341.362,9 5.188,12 0.958,13 4.634,15 4.042,16 0.125,17 3.14,18 0.88,19 832,20 14.235,21 258.964,22 1.66,23 1.601,25 0.531,26 8.079,27 16.222,28 0.83,29 0.389,30 5.269,32 1.397,33 1.128,35 9916,36 4.83,37 59.311,38 7.451,39 303.58,40 53,41 29,42 7,43 56,44 0.945,45 -0.016,46 9961,47 0.707,48 2.011,49 33.439,50 0.811,51 1.353,52 1.161,53 1.09,54 66,55 17.376,56 -0.028,57 7,58 4.634,59 341.362,60 341.362,61 341.362,62 341.362,63 4.087,64 4.087,65 10.503,66 10.503,67 10.503,68 6.585,69 5.26}
{0 CHEMBL1782728,2 3,3 1,4 22.066,5 317.82,6 9,7 317.82,8 1,9 5.188,12 0.914,13 4.574,15 4.042,16 0.122,17 3.14,18 0.88,19 832,20 13.188,21 235.422,22 1.606,23 1.553,25 0.434,26 7.564,27 16.222,28 0.83,29 0.389,30 5.188,32 1.358,33 1.088,35 9916,36 4.769,37 56.896,38 6.948,39 289.294,40 51,41 27,42 6,43 54,44 0.995,45 0.024,46 10362,47 0.669,48 2.011,49 31.01,50 0.811,51 1.317,52 1.139,53 1.071,54 66,55 17.376,56 0.009,57 4,58 4.578,59 317.82,60 317.82,61 317.82,62 317.82,63 4.087,64 4.087,65 10.503,66 10.503,67 10.503,68 6.585,69 5.42}
{0 CHEMBL1782729,2 5,3 1,4 27.503,5 373.581,6 11,7 341.362,9 5.676,12 0.974,13 4.681,15 4.011,16 0.163,17 3.297,18 0.88,19 916,20 14.588,21 258.964,22 1.609,23 1.573,25 0.555,26 8.175,27 18.026,28 0.83,29 0.366,30 5.244,32 1.374,33 1.121,35 11002,36 4.834,37 60.231,38 8.216,39 310.764,40 54,41 29,42 7,43 57,44 0.959,45 0.053,46 12472,47 0.721,48 1.976,49 38.203,50 0.795,51 1.316,52 1.179,53 1.127,54 73,55 17.029,56 -0.005,57 4,58 4.648,59 341.362,60 341.362,61 341.362,62 341.362,63 4.008,64 4.008,65 10.245,66 10.245,67 10.245,68 6.521,69 5.481}
{0 CHEMBL1782730,2 4,3 1,4 19.926,5 291.184,6 6,7 284.109,8 1,9 4.735,10 1,12 0.869,13 4.33,14 1,15 4.032,16 0.184,17 3.007,18 1,19 726,20 10,21 153.024,22 1.719,23 1.638,25 0.232,26 5.954,27 15.112,28 1,29 0.482,30 4.892,31 1,32 1.299,33 0.853,35 10043,36 4.609,37 50.278,38 5.775,39 247.133,40 45,41 22,42 1,43 47,44 0.903,45 0.201,46 10300,47 0.632,48 1.981,49 28.898,50 1.478,51 1.304,52 1.069,53 1.013,54 67,55 19.57,56 0.196,58 4.419,59 258.964,60 258.964,61 258.964,62 258.964,63 4.259,64 4.259,65 12.039,66 12.039,67 12.039,68 7.034,69 6.076}
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{0 CHEMBL1782732,2 2,3 1,4 24.619,5 338.268,6 10,7 331.194,8 1,9 5.56,10 1,12 0.978,13 4.973,15 4.046,16 0.149,17 3.278,18 0.88,19 1053,20 13.279,21 223.651,22 1.664,23 1.636,25 0.442,26 7.316,27 18.889,28 1,29 0.383,30 5.259,32 1.412,33 1.002,35 40262,36 4.842,37 59.108,38 7.938,39 303.58,40 53,41 26,42 7,43 57,44 0.932,45 0.074,46 16992,47 0.746,48 1.987,49 39.249,50 1.125,51 1.389,52 1.164,53 1.098,54 85,55 19.398,56 0.066,57 4,58 4.666,59 306.049,60 306.049,61 306.049,62 306.049,63 4.229,64 4.229,65 11.867,66 11.867,67 11.867,68 6.979,69 5.319}
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{0 CHEMBL1782737,2 6,3 1,4 33.164,5 441.114,6 13,7 401.82,9 7.594,12 0.978,13 5.247,15 4.036,16 0.132,17 3.748,18 0.75,19 1592,20 16.479,21 270.735,22 1.855,23 1.795,25 0.576,26 9.025,27 28.601,28 0.83,29 0.339,30 5.402,32 1.57,33 1.06,35 53956,36 5.004,37 70.274,38 10.229,39 376.569,40 63,41 32,42 8,43 67,44 1.038,45 0.058,46 29452,47 0.883,48 1.981,49 49.013,50 1.058,51 1.526,52 1.346,53 1.287,54 124,55 19.386,56 0.058,57 4,58 4.826,59 376.675,60 376.675,61 376.675,62 376.675,63 4.22,64 4.22,65 11.854,66 11.854,67 11.854,68 6.976,69 6.131}
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{0 CHEMBL1782741,1 2,2 4,3 1,4 25.513,5 317.82,6 11,7 367.968,8 1,9 6.033,11 18.011,12 0.974,13 5.399,15 4.164,16 0.1,17 3.398,18 0.88,19 1403,20 13.518,21 235.422,22 1.652,23 1.627,24 1,25 0.556,26 7.602,27 23.634,28 1,29 0.345,30 5.295,32 1.533,33 0.934,34 3,35 51447,36 4.924,37 64.046,38 8.233,39 332.475,40 57,41 28,42 6,43 61,44 0.869,45 0.008,46 22706,47 0.815,48 2.113,49 38.295,50 1.247,51 1.516,52 1.237,53 1.185,54 101,55 18.94,56 0.02,57 4,58 4.74,59 317.82,60 317.82,61 317.82,62 317.82,63 4.226,64 4.226,65 11.399,66 11.399,67 11.399,68 6.841,69 6.06}
{0 CHEMBL1782742,1 2,2 7,3 1,4 32.514,5 397.124,6 13,7 415.053,9 7.515,11 18.011,12 0.974,13 5.551,15 4.161,16 0.117,17 3.745,18 0.75,19 1870,20 15.744,21 282.506,22 1.741,23 1.745,24 1,25 0.579,26 8.759,27 31.34,28 0.83,29 0.317,30 5.382,32 1.554,33 0.985,34 2,35 63859,36 5.028,37 71.796,38 10.015,39 384,40 64,41 32,42 6,43 68,44 0.97,46 33633,47 0.913,48 2.112,49 46.157,50 1.198,51 1.523,52 1.317,53 1.251,54 134,55 18.938,56 0.019,57 4,58 4.846,59 364.904,60 364.904,61 364.904,62 364.904,63 4.224,64 4.224,65 11.398,66 11.398,67 11.398,68 6.84,69 6.469}
{0 CHEMBL1782743,1 2,2 8,3 1,4 34.111,5 420.666,6 14,7 438.595,9 8.017,11 18.011,12 0.975,13 5.607,15 4.162,16 0.114,17 3.841,18 0.63,19 2029,20 16.689,21 282.506,22 1.847,23 1.794,24 1,25 0.587,26 9.302,27 34.226,28 0.83,29 0.308,30 5.434,32 1.569,33 1.002,34 3,35 68247,36 5.075,37 75.212,38 10.515,39 406.428,40 67,41 34,42 7,43 71,44 0.98,45 0.018,46 37230,47 0.953,48 2.112,49 48.105,50 1.182,51 1.53,52 1.339,53 1.275,54 145,55 18.938,56 0.027,57 4,58 4.889,59 388.446,60 388.446,61 388.446,62 388.446,63 4.225,64 4.225,65 11.398,66 11.398,67 11.398,68 6.84,69 6.161}
{0 CHEMBL1782744,1 2,2 4,3 1,4 27.089,5 350.039,6 11,7 367.968,9 6.033,12 0.974,13 5.365,15 4.155,16 0.135,17 3.398,18 0.75,19 1403,20 13.668,21 235.422,22 1.607,23 1.57,25 0.556,26 7.554,27 23.634,28 0.83,29 0.345,30 5.248,32 1.533,33 0.916,35 51447,36 4.892,37 62.468,38 8.649,39 325.212,40 56,41 27,42 6,43 60,44 0.937,45 0.098,46 23402,47 0.766,48 2.108,49 40.55,50 1.247,51 1.511,52 1.235,53 1.185,54 101,55 18.94,56 0.058,57 4,58 4.72,59 317.82,60 317.82,61 317.82,62 317.82,63 4.213,64 4.213,65 11.399,66 11.399,67 11.399,68 6.841,69 5.328}
{0 CHEMBL1782746,2 7,3 1,4 29.459,5 373.581,6 13,7 388.507,8 1,9 7.945,10 1,12 0.968,13 5.343,14 1,15 3.997,16 0.141,17 3.868,18 1,19 1086,20 14.152,21 235.422,22 1.606,23 1.589,25 0.556,26 7.947,27 25.416,28 1,29 0.34,30 5.281,31 1,32 1.547,33 1.116,35 24844,36 4.9,37 62.859,38 9.195,39 325.212,40 56,41 29,42 7,43 59,44 0.929,45 0.005,46 24533,47 0.767,48 1.936,49 40.265,50 1.038,51 1.509,52 1.32,53 1.25,54 109,55 16.969,56 0.001,57 4,58 4.725,59 341.362,60 341.362,61 341.362,62 341.362,63 3.989,64 3.989,65 10.194,66 10.194,67 10.194,68 6.505,69 5.268}
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{0 CHEMBL1782748,2 9,3 1,4 32.441,5 420.666,6 15,7 435.591,8 1,9 8.928,12 1.005,13 5.47,15 3.998,16 0.132,17 4.041,18 0.88,19 1382,20 15.942,21 258.964,22 1.642,23 1.641,25 0.603,26 8.999,27 30.333,28 1,29 0.319,30 5.393,32 1.572,33 1.144,35 28901,36 5.003,37 69.69,38 10.195,39 369.16,40 62,41 33,42 9,43 65,44 0.973,45 0.01,46 30415,47 0.846,48 1.935,49 44.175,50 1,51 1.537,52 1.375,53 1.32,54 128,55 16.969,56 0.009,57 6,58 4.821,59 388.446,60 388.446,61 388.446,62 388.446,63 3.989,64 3.989,65 10.194,66 10.194,67 10.194,68 6.505,69 5.237}
{0 CHEMBL1783190,1 2,2 10,3 1,4 27.725,5 364.904,6 11,7 386.904,8 1,9 8.443,11 36.022,12 0.832,13 5.445,15 4.114,16 0.099,17 3.929,18 1,19 1638,20 14.587,21 317.82,22 1.647,23 1.656,24 2,25 0.594,26 8.685,27 31.392,28 0.83,29 0.334,30 5.277,32 1.539,33 0.971,34 5,35 34994,36 4.993,37 72.142,38 8.232,39 384,40 64,41 33,42 6,43 67,44 1.216,45 0.006,46 33100,47 0.898,48 2.072,49 35.506,50 1.14,51 1.524,52 1.264,53 1.209,54 147,55 18.879,56 0.039,57 6,58 4.798,59 364.904,60 364.904,61 364.904,62 364.904,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.429}
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{0 CHEMBL1783237,1 2,2 14,3 0.5,4 33.685,5 447.302,6 15,7 511.985,9 10.489,11 36.022,12 1.127,13 5.468,15 4.116,16 0.086,17 4.218,18 0.75,19 2528,20 18.077,21 400.217,22 1.872,23 1.837,24 2,25 0.68,26 10.688,27 42.988,28 0.67,29 0.291,30 5.501,32 1.655,33 1.04,34 5,35 49731,36 5.181,37 87.012,38 10.387,39 482.543,40 77,41 41,42 10,43 80,44 1.173,45 0.009,46 54959,47 1.065,48 2.072,49 44.362,50 1.189,51 1.641,52 1.394,53 1.32,54 166,55 18.879,56 0.05,57 14,58 4.981,59 447.302,60 447.302,61 447.302,62 447.302,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.389}
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{0 CHEMBL1783241,1 2,2 12,3 0.5,4 31.817,5 388.446,6 14,7 433.988,9 10.154,11 36.022,12 1.127,13 5.615,15 4.116,16 0.088,17 4.2,18 0.75,19 2226,20 17.255,21 364.904,22 1.871,23 1.831,24 2,25 0.675,26 9.917,27 41.322,28 0.67,29 0.299,30 5.466,32 1.64,33 1.075,34 5,35 63952,36 5.123,37 79.972,38 10.037,39 436.632,40 71,41 37,42 10,43 75,44 1.129,45 0.006,46 48335,47 1,48 2.072,49 41.66,50 0.787,51 1.623,52 1.387,53 1.311,54 172,55 18.879,56 0.043,57 14,58 4.933,59 411.989,60 411.989,61 411.989,62 411.989,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.463}
{0 CHEMBL1783242,1 2,2 12,3 0.5,4 28.961,5 376.675,6 13,7 400.217,9 9.34,11 36.022,12 1.083,13 5.409,15 4.114,16 0.099,17 4.095,18 0.88,19 1824,20 16.537,21 353.133,22 1.87,23 1.832,24 2,25 0.648,26 9.59,27 38.081,28 0.83,29 0.334,30 5.424,32 1.639,33 1.133,34 5,35 31762,36 5.049,37 75.636,38 9.255,39 406.428,40 67,41 36,42 10,43 70,44 1.125,45 0.022,46 32860,47 0.969,48 2.072,49 38.955,50 0.709,51 1.622,52 1.381,53 1.302,54 175,55 18.879,56 0.046,57 14,58 4.839,59 400.217,60 400.217,61 400.217,62 400.217,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.332}
{0 CHEMBL1783243,1 2,2 11,3 0.5,4 27.907,5 353.133,6 12,7 401.82,9 9.425,11 36.022,12 0.977,13 5.317,15 4.114,16 0.102,17 4.097,18 0.88,19 1904,20 15.872,21 329.591,22 1.87,23 1.832,24 2,25 0.638,26 9.089,27 37.719,28 0.83,29 0.324,30 5.402,32 1.63,33 1.125,34 5,35 33218,36 5.022,37 74.431,38 9.173,39 398.93,40 66,41 34,42 10,43 69,44 1.142,45 0.039,46 39664,47 0.954,48 2.072,49 38.854,50 0.947,51 1.618,52 1.375,53 1.301,54 170,55 18.879,56 0.078,57 14,58 4.822,59 376.675,60 376.675,61 376.675,62 376.675,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.412}
{0 CHEMBL1797183,2 3,3 1,4 49.579,5 529.7,6 27,7 678.443,9 7.167,11 18.011,12 1.18,13 6.324,15 4.24,16 0.065,17 3.657,18 0.63,19 5658,20 25.893,21 435.531,22 1.912,23 1.904,24 1,25 0.967,26 13.455,27 52.955,28 0.5,29 0.272,30 6.023,32 1.797,33 0.836,34 5,35 16834500,36 5.608,37 114.593,38 16.8,39 680.587,40 102,41 48,42 13,43 114,44 0.894,45 -0.111,46 108421,47 1.514,48 2.017,49 73.687,50 1.68,51 1.794,52 1.605,53 1.553,54 245,55 27.654,56 -0.086,57 6,58 5.456,59 541.471,60 541.471,61 541.471,62 541.471,63 5.029,64 5.029,65 17.956,66 17.956,67 17.956,68 8.588,69 4.787}
{0 CHEMBL1797184,2 3,3 1,4 51.549,5 576.784,6 28,7 645.928,9 7.117,11 18.011,12 1.18,13 6.246,15 4.239,16 0.066,17 3.649,18 0.75,19 5100,20 26.982,21 447.302,22 1.914,23 1.905,24 1,25 0.991,26 14.137,27 50.272,28 0.5,29 0.279,30 6.026,32 1.803,33 0.837,34 4,35 15379700,36 5.619,37 114.59,38 16.743,39 680.587,40 102,41 50,42 13,43 114,44 0.893,45 -0.112,46 90788,47 1.516,48 2.02,49 75.451,50 1.581,51 1.794,52 1.608,53 1.554,54 231,55 27.46,56 -0.089,57 6,58 5.456,59 576.784,60 576.784,61 576.784,62 576.784,63 5.009,64 5.009,65 17.841,66 17.841,67 17.841,68 8.56,69 5.16}
{0 CHEMBL1797185,2 3,3 1,4 49.636,5 553.242,6 27,7 647.531,9 7.203,11 18.011,12 1.18,13 6.287,15 4.239,16 0.065,17 3.667,18 0.63,19 5379,20 26.051,21 447.302,22 1.914,23 1.905,24 1,25 0.967,26 13.562,27 51.915,28 0.5,29 0.275,30 6.013,32 1.801,33 0.831,34 4,35 16326200,36 5.603,37 113.384,38 16.588,39 672.479,40 101,41 48,42 13,43 113,44 0.884,45 -0.119,46 102224,47 1.499,48 2.019,49 73.246,50 1.636,51 1.793,52 1.608,53 1.554,54 239,55 27.465,56 -0.103,57 6,58 5.447,59 553.242,60 553.242,61 553.242,62 553.242,63 5.01,64 5.01,65 17.846,66 17.846,67 17.846,68 8.561,69 4.695}
{0 CHEMBL1830622,1 3,2 7,3 1,4 22.799,5 270.735,6 6,7 332.796,9 9.469,11 54.032,12 1.034,13 5.832,15 4.17,16 0.082,17 4.094,18 0.75,19 2861,20 12.977,21 282.506,22 1.825,23 1.767,24 3,25 0.584,26 7.192,27 43.581,28 0.67,29 0.275,30 5.336,32 1.655,33 0.922,34 4,35 316240,36 4.997,37 73.478,38 8.482,39 398.93,40 66,41 27,42 3,43 72,44 1.191,45 0.084,46 72955,47 0.953,48 2.123,49 34.712,50 1.2,51 1.651,52 1.502,53 1.461,54 165,55 20.378,56 0.086,57 4,58 4.845,59 282.506,60 282.506,61 282.506,62 282.506,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 6.614}
{0 CHEMBL1830623,1 3,2 8,3 1,4 24.64,5 294.278,6 7,7 356.339,9 9.985,11 54.032,12 1.037,13 5.877,15 4.17,16 0.08,17 4.17,18 0.75,19 3130,20 14.064,21 306.049,22 1.831,23 1.77,24 3,25 0.584,26 7.782,27 47.038,28 0.67,29 0.269,30 5.392,32 1.702,33 0.939,34 6,35 332007,36 5.045,37 76.893,38 8.957,39 421.488,40 69,41 29,42 4,43 75,44 1.187,45 0.09,46 79332,47 0.995,48 2.123,49 37.355,50 1.188,51 1.689,52 1.52,53 1.47,54 177,55 20.378,56 0.101,57 4,58 4.889,59 306.049,60 306.049,61 306.049,62 306.049,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 5.754}
{0 CHEMBL1830624,1 3,2 9,3 1,4 26.442,5 317.82,6 8,7 379.881,9 10.5,11 54.032,12 1.071,13 5.92,15 4.171,16 0.078,17 4.243,18 0.75,19 3400,20 15.131,21 306.049,22 1.832,23 1.775,24 3,25 0.585,26 8.368,27 50.563,28 0.67,29 0.263,30 5.443,32 1.743,33 0.956,34 8,35 348027,36 5.091,37 80.308,38 9.452,39 444.235,40 72,41 31,42 5,43 78,44 1.178,45 0.085,46 85921,47 1.036,48 2.123,49 39.832,50 1.177,51 1.716,52 1.536,53 1.476,54 189,55 20.378,56 0.105,57 4,58 4.931,59 329.591,60 329.591,61 329.591,62 329.591,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 6.399}
{0 CHEMBL1830625,1 3,2 10,3 1,4 28.209,5 341.362,6 9,7 403.423,9 11.012,11 54.032,12 1.095,13 5.962,15 4.171,16 0.077,17 4.312,18 0.75,19 3670,20 16.18,21 306.049,22 1.833,23 1.79,24 3,25 0.766,26 8.948,27 54.143,28 0.5,29 0.258,30 5.492,32 1.762,33 0.971,34 8,35 364301,36 5.135,37 83.723,38 9.952,39 467.161,40 75,41 33,42 6,43 81,44 1.167,45 0.088,46 92794,47 1.078,48 2.123,49 42.256,50 1.166,51 1.725,52 1.55,53 1.486,54 201,55 20.378,56 0.109,57 4,58 4.971,59 353.133,60 353.133,61 353.133,62 353.133,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 6.701}
{0 CHEMBL1830626,1 3,2 7,3 1,4 24.64,5 294.278,6 7,7 356.339,9 9.606,11 54.032,12 1.034,13 5.877,15 4.17,16 0.08,17 4.113,18 0.75,19 3050,20 14.064,21 306.049,22 1.844,23 1.849,24 3,25 0.606,26 7.782,27 44.95,28 0.67,29 0.269,30 5.4,32 1.619,33 0.939,34 4,35 348458,36 5.045,37 76.893,38 8.982,39 421.488,40 69,41 29,42 4,43 75,44 1.187,45 0.1,46 75959,47 0.995,48 2.123,49 37.578,50 1.188,51 1.626,52 1.415,53 1.376,54 162,55 20.378,56 0.103,57 6,58 4.889,59 306.049,60 306.049,61 306.049,62 306.049,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 6.364}
{0 CHEMBL1830627,1 3,2 8,3 1,4 26.442,5 317.82,6 8,7 379.881,9 10.125,11 54.032,12 1.037,13 5.92,15 4.17,16 0.078,17 4.189,18 0.75,19 3311,20 15.131,21 329.591,22 1.879,23 1.874,24 3,25 0.611,26 8.368,27 48.092,28 0.67,29 0.263,30 5.452,32 1.695,33 0.956,34 6,35 365421,36 5.091,37 80.308,38 9.457,39 444.235,40 72,41 31,42 5,43 78,44 1.185,45 0.104,46 82538,47 1.036,48 2.123,49 40.139,50 1.177,51 1.688,52 1.466,53 1.402,54 173,55 20.378,56 0.116,57 6,58 4.931,59 329.591,60 329.591,61 329.591,62 329.591,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 6.959}
{0 CHEMBL1830628,1 3,2 9,3 1,4 28.209,5 341.362,6 9,7 403.423,9 10.642,11 54.032,12 1.07,13 5.962,15 4.17,16 0.077,17 4.26,18 0.75,19 3572,20 16.18,21 329.591,22 1.91,23 1.894,24 3,25 0.64,26 8.948,27 51.288,28 0.67,29 0.258,30 5.501,32 1.748,33 0.971,34 8,35 382643,36 5.135,37 83.723,38 9.952,39 467.161,40 75,41 33,42 6,43 81,44 1.177,45 0.098,46 89337,47 1.078,48 2.123,49 42.55,50 1.166,51 1.735,52 1.531,53 1.473,54 184,55 20.378,56 0.118,57 6,58 4.971,59 353.133,60 353.133,61 353.133,62 353.133,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 6.701}
{0 CHEMBL1830629,1 3,2 10,3 1,4 29.943,5 364.904,6 10,7 426.965,9 11.157,11 54.032,12 1.094,13 6.003,15 4.171,16 0.075,17 4.329,18 0.75,19 3875,20 17.212,21 329.591,22 1.922,23 1.901,24 3,25 0.743,26 9.523,27 54.811,28 0.5,29 0.253,30 5.547,32 1.783,33 0.985,34 8,35 400125,36 5.177,37 87.138,38 10.452,39 490.261,40 78,41 35,42 7,43 84,44 1.167,45 0.1,46 96424,47 1.119,48 2.123,49 44.916,50 1.155,51 1.769,52 1.569,53 1.512,54 196,55 20.378,56 0.122,57 6,58 5.009,59 376.675,60 376.675,61 376.675,62 376.675,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 6.541}
{0 CHEMBL1830630,1 3,2 7,3 1,4 26.442,5 317.82,6 8,7 379.881,9 9.723,11 54.032,12 1.035,13 5.92,15 4.17,16 0.078,17 4.127,18 0.75,19 3225,20 15.131,21 329.591,22 1.846,23 1.848,24 3,25 0.584,26 8.368,27 45.862,28 0.67,29 0.263,30 5.464,32 1.75,33 0.956,34 4,35 381905,36 5.091,37 80.308,38 9.482,39 444.235,40 72,41 31,42 5,43 78,44 1.184,45 0.119,46 78975,47 1.036,48 2.123,49 40.522,50 1.177,51 1.726,52 1.588,53 1.526,54 161,55 20.378,56 0.123,57 8,58 4.931,59 329.591,60 329.591,61 329.591,62 329.591,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 6.676}
{0 CHEMBL1830631,1 3,2 8,3 1,4 28.209,5 341.362,6 9,7 403.423,9 10.245,11 54.032,12 1.039,13 5.962,15 4.17,16 0.077,17 4.202,18 0.75,19 3476,20 16.18,21 353.133,22 1.879,23 1.872,24 3,25 0.584,26 8.948,27 49.048,28 0.67,29 0.258,30 5.513,32 1.756,33 0.971,34 6,35 400070,36 5.135,37 83.723,38 9.957,39 467.161,40 75,41 33,42 6,43 81,44 1.183,45 0.121,46 85756,47 1.078,48 2.123,49 43.018,50 1.166,51 1.733,52 1.61,53 1.566,54 170,55 20.378,56 0.133,57 8,58 4.971,59 353.133,60 353.133,61 353.133,62 353.133,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 7.187}
{0 CHEMBL1830632,1 3,2 9,3 1,4 29.943,5 364.904,6 10,7 426.965,9 10.765,11 54.032,12 1.073,13 6.003,15 4.17,16 0.075,17 4.273,18 0.75,19 3769,20 17.212,21 353.133,22 1.91,23 1.893,24 3,25 0.597,26 9.523,27 52.294,28 0.67,29 0.253,30 5.559,32 1.765,33 0.985,34 8,35 418500,36 5.177,37 87.138,38 10.452,39 490.261,40 78,41 35,42 7,43 84,44 1.176,45 0.114,46 92765,47 1.119,48 2.123,49 45.377,50 1.155,51 1.747,52 1.614,53 1.571,54 180,55 20.378,56 0.134,57 8,58 5.009,59 376.675,60 376.675,61 376.675,62 376.675,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 7.676}
{0 CHEMBL1830633,1 3,2 10,3 1,4 31.646,5 388.446,6 11,7 450.507,9 11.283,11 54.032,12 1.096,13 6.044,15 4.171,16 0.074,17 4.34,18 0.75,19 4062,20 18.229,21 353.133,22 1.922,23 1.901,24 3,25 0.779,26 10.093,27 55.682,28 0.5,29 0.248,30 5.603,32 1.787,33 0.999,34 8,35 437196,36 5.217,37 90.554,38 10.952,39 513.528,40 81,41 37,42 8,43 87,44 1.167,45 0.115,46 100066,47 1.16,48 2.123,49 47.698,50 1.143,51 1.771,52 1.616,53 1.574,54 191,55 20.378,56 0.136,57 8,58 5.046,59 400.217,60 400.217,61 400.217,62 400.217,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 6.824}
{0 CHEMBL1834060,2 5,3 1,4 23.142,5 294.278,6 8,7 306.049,8 1,9 6.947,10 1,11 18.011,12 0.825,13 4.949,14 1,15 4.096,16 0.106,17 3.694,18 1,19 1125,20 11.725,21 235.422,22 1.681,23 1.646,24 1,25 0.469,26 7.01,27 24.988,28 1,29 0.34,30 5.138,31 1,32 1.464,33 0.924,34 2,35 23934,36 4.844,37 61.059,38 6.446,39 310.764,40 54,41 27,42 1,43 57,44 0.769,45 0.007,46 19486,47 0.832,48 2.081,49 30.37,50 1.218,51 1.447,52 1.245,53 1.182,54 106,55 16.978,56 -0.016,58 4.632,59 306.049,60 306.049,61 306.049,62 306.049,63 4.031,64 4.031,65 10.196,66 10.196,67 10.196,68 6.506,69 5.119}
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{0 CHEMBL1834062,2 6,3 1,4 23.146,5 294.278,6 8,7 306.049,8 1,9 7.04,10 1,11 18.011,12 0.825,13 5.111,14 1,15 4.096,16 0.106,17 3.727,18 1,19 1146,20 11.733,21 282.506,22 1.682,23 1.649,24 1,25 0.522,26 7.01,27 25.794,28 1,29 0.34,30 5.139,31 1,32 1.467,33 0.953,34 2,35 24103,36 4.844,37 61.059,38 6.572,39 310.764,40 54,41 27,42 1,43 57,44 0.908,46 19650,47 0.832,48 2.081,49 30.2,50 1.038,51 1.451,52 1.246,53 1.184,54 129,55 16.978,56 0.002,57 3,58 4.632,59 306.049,60 306.049,61 306.049,62 306.049,63 4.031,64 4.031,65 10.196,66 10.196,67 10.196,68 6.506,69 4.742}
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{0 CHEMBL1926712,2 10,3 1,4 30.756,5 423.76,6 13,7 446.531,9 9.567,11 17.031,12 1.078,13 5.422,15 4.147,16 0.092,17 4.195,18 1,19 2097,20 16.033,21 364.904,22 1.824,23 1.779,25 0.744,26 9.732,27 46.54,28 0.83,29 0.3,30 5.385,32 1.702,33 0.944,35 39884,36 5.099,37 78.763,38 8.874,39 429.05,40 70,41 37,42 4,43 73,44 1.031,45 -0.112,46 38050,47 0.981,48 1.953,49 39.622,50 1.241,51 1.688,52 1.5,53 1.445,54 176,55 17.868,56 -0.131,57 3,58 4.888,59 435.531,60 435.531,61 435.531,62 435.531,63 4.147,64 4.147,65 10.791,66 10.791,67 10.791,68 6.693,69 5.658}
{0 CHEMBL1929418,2 6,3 1,4 18.169,5 247.193,6 5,7 269.964,8 1,9 6.49,11 17.031,12 0.616,13 5.012,15 4.146,16 0.127,17 3.611,18 1,19 828,20 9.05,21 258.964,22 1.509,23 1.459,25 0.322,26 5.778,27 25,28 1,29 0.415,30 4.772,32 1.423,33 0.805,35 10508,36 4.607,37 51.358,38 5.033,39 254.084,40 46,41 22,43 48,44 1.009,45 -0.243,46 15382,47 0.621,48 1.94,49 21.285,50 1.347,51 1.389,52 1.18,53 1.104,54 95,55 17.868,56 -0.242,58 4.418,59 258.964,60 258.964,61 258.964,62 258.964,63 4.147,64 4.147,65 10.791,66 10.791,67 10.791,68 6.693,69 4}
{0 CHEMBL1929419,2 8,3 1,4 27.871,5 376.675,6 11,7 399.446,9 8.602,11 17.031,12 0.825,13 5.289,15 4.147,16 0.097,17 4.04,18 1,19 1743,20 14.206,21 329.591,22 1.712,23 1.708,25 0.574,26 8.686,27 41.165,28 1,29 0.317,30 5.27,32 1.556,33 0.898,35 34218,36 5.006,37 71.932,38 7.909,39 384,40 64,41 33,42 2,43 67,44 1.132,45 -0.184,46 31488,47 0.903,48 1.94,49 35.556,50 1.277,51 1.546,52 1.313,53 1.249,54 154,55 17.868,56 -0.186,58 4.799,59 388.446,60 388.446,61 388.446,62 388.446,63 4.147,64 4.147,65 10.791,66 10.791,67 10.791,68 6.693,69 5.959}
{0 CHEMBL1929420,2 9,3 1,4 29.322,5 400.217,6 12,7 422.988,9 9.085,11 17.031,12 0.965,13 5.357,15 4.147,16 0.094,17 4.12,18 1,19 1904,20 15.125,21 341.362,22 1.717,23 1.716,25 0.667,26 9.21,27 43.844,28 1,29 0.308,30 5.328,32 1.66,33 0.922,35 37004,36 5.053,37 75.348,38 8.399,39 406.428,40 67,41 35,42 3,43 70,44 1.018,45 -0.145,46 34797,47 0.942,48 1.939,49 37.579,50 1.259,51 1.641,52 1.425,53 1.359,54 164,55 17.868,56 -0.158,57 1,58 4.844,59 411.989,60 411.989,61 411.989,62 411.989,63 4.147,64 4.147,65 10.791,66 10.791,67 10.791,68 6.693,69 5.678}
{0 CHEMBL1929421,2 10,3 1,4 30.756,5 423.76,6 13,7 446.531,9 9.567,11 17.031,12 1.073,13 5.422,15 4.147,16 0.092,17 4.195,18 1,19 2097,20 16.033,21 364.904,22 1.796,23 1.765,25 0.734,26 9.732,27 46.54,28 0.83,29 0.3,30 5.383,32 1.7,33 0.944,35 39884,36 5.099,37 78.763,38 8.899,39 429.05,40 70,41 37,42 4,43 73,44 1.02,45 -0.133,46 38302,47 0.981,48 1.938,49 39.553,50 1.241,51 1.686,52 1.499,53 1.443,54 176,55 17.868,56 -0.143,57 3,58 4.888,59 435.531,60 435.531,61 435.531,62 435.531,63 4.147,64 4.147,65 10.791,66 10.791,67 10.791,68 6.693,69 6.337}
{0 CHEMBL1929422,2 11,3 0.5,4 32.174,5 447.302,6 14,7 470.073,9 10.049,11 17.031,12 1.103,13 5.484,15 4.147,16 0.089,17 4.266,18 0.88,19 2290,20 16.933,21 388.446,22 1.865,23 1.824,25 0.804,26 10.251,27 49.356,28 0.67,29 0.292,30 5.435,32 1.705,33 0.964,35 42859,36 5.142,37 82.178,38 9.399,39 451.857,40 73,41 39,42 5,43 76,44 1.058,45 -0.122,46 42007,47 1.02,48 1.938,49 41.484,50 1.223,51 1.694,52 1.501,53 1.445,54 188,55 17.868,56 -0.13,57 5,58 4.93,59 459.073,60 459.073,61 459.073,62 459.073,63 4.147,64 4.147,65 10.791,66 10.791,67 10.791,68 6.693,69 6.004}
{0 CHEMBL1929423,2 9,3 1,4 29.322,5 400.217,6 12,7 422.988,9 9.085,11 17.031,12 0.991,13 5.357,15 4.147,16 0.094,17 4.12,18 1,19 1904,20 15.125,21 364.904,22 1.726,23 1.72,25 0.694,26 9.21,27 43.844,28 1,29 0.308,30 5.33,32 1.67,33 0.922,35 37004,36 5.053,37 75.348,38 8.38,39 406.428,40 67,41 35,42 3,43 70,44 1.014,45 -0.11,46 34557,47 0.942,48 1.953,49 37.707,50 1.259,51 1.648,52 1.45,53 1.389,54 164,55 17.868,56 -0.142,57 3,58 4.844,59 411.989,60 411.989,61 411.989,62 411.989,63 4.147,64 4.147,65 10.791,66 10.791,67 10.791,68 6.693,69 6.097}
{0 CHEMBL1929424,2 10,3 1,4 30.559,5 411.989,6 12,7 434.76,9 9.567,11 17.031,12 1.068,13 5.391,15 4.147,16 0.092,17 4.195,18 1,19 2097,20 14.82,21 400.217,22 1.796,23 1.765,25 0.666,26 9.274,27 46.54,28 0.83,29 0.3,30 5.338,32 1.7,33 0.881,35 39884,36 5.095,37 77.846,38 8.327,39 421.488,40 69,41 36,42 1,43 72,44 1.038,45 -0.118,46 39602,47 0.999,48 1.931,49 38.174,50 1.241,51 1.686,52 1.498,53 1.443,54 176,55 17.868,56 -0.15,58 4.877,59 423.76,60 423.76,61 423.76,62 423.76,63 4.147,64 4.147,65 10.791,66 10.791,67 10.791,68 6.693,69 5.119}
{0 CHEMBL1938397,2 4,3 1,4 21.837,5 291.184,6 7,7 323.258,8 1,9 6.357,10 1,11 17.888,12 0.825,13 5.069,14 1,15 4.024,16 0.154,17 3.544,18 1,19 1199,20 10.212,21 258.964,22 1.527,23 1.5,24 1,25 0.276,26 6.047,27 24.156,28 1,29 0.38,30 5.061,31 1,32 1.429,33 0.819,34 1,35 23254,36 4.766,37 56.219,38 6.837,39 282.193,40 50,41 23,42 1,43 53,44 1.022,45 0.005,46 23105,47 0.768,48 1.971,49 34.544,50 1.352,51 1.376,52 1.153,53 1.064,54 123,55 18.934,56 -0.048,58 4.579,59 258.964,60 258.964,61 258.964,62 258.964,63 4.178,64 4.178,65 11.396,66 11.396,67 11.396,68 6.839,69 6.046}
{0 CHEMBL1938451,2 3,3 1,4 15.594,5 220.557,6 3,7 213.483,8 1,9 4.703,10 1,11 17.888,12 0.469,13 4.208,14 1,15 4.019,16 0.2,17 3.022,18 1,19 584,20 7.219,21 188.338,22 1.417,23 1.308,24 1,25 0.165,26 4.455,27 14.104,28 1,29 0.495,30 4.626,31 1,32 1.215,33 0.758,35 8599,36 4.422,37 42.531,38 4.518,39 199.421,40 38,41 17,43 40,44 0.984,45 -0.069,46 9910,47 0.579,48 1.973,49 21.702,50 1.418,51 1.203,52 0.941,53 0.893,54 63,55 18.912,56 -0.128,58 4.242,59 188.338,60 188.338,61 188.338,62 188.338,63 4.171,64 4.171,65 11.381,66 11.381,67 11.381,68 6.836,69 5.77}
{0 CHEMBL1938452,2 3,3 1,4 14.396,5 208.786,6 3,7 240.86,8 1,9 4.822,10 1,11 17.888,12 0.469,13 4.735,14 1,15 4.021,16 0.192,17 3.05,18 1,19 668,20 6.842,21 176.567,22 1.417,23 1.308,24 1,25 0.152,26 4.132,27 15.455,28 1,29 0.475,30 4.624,31 1,32 1.21,33 0.693,35 9724,36 4.42,37 42.475,38 4.839,39 199.421,40 38,41 16,43 40,44 0.934,45 -0.098,46 12947,47 0.568,48 1.97,49 22.123,50 1.495,51 1.198,52 0.937,53 0.894,54 68,55 18.943,56 -0.161,58 4.251,59 176.567,60 176.567,61 176.567,62 176.567,63 4.18,64 4.18,65 11.41,66 11.41,67 11.41,68 6.842,69 5.149}
{0 CHEMBL1938453,2 3,3 1,4 14.396,5 208.786,6 3,7 240.86,8 1,9 4.871,10 1,11 17.888,12 0.469,13 4.735,14 1,15 4.021,16 0.192,17 3.089,18 1,19 660,20 6.842,21 176.567,22 1.417,23 1.308,24 1,25 0.154,26 4.132,27 15.818,28 1,29 0.475,30 4.624,31 1,32 1.197,33 0.693,35 9724,36 4.42,37 42.475,38 4.839,39 199.421,40 38,41 16,43 40,44 0.921,45 -0.098,46 13123,47 0.568,48 1.97,49 22.123,50 1.495,51 1.187,52 0.94,53 0.894,54 68,55 18.935,56 -0.161,58 4.251,59 176.567,60 176.567,61 176.567,62 176.567,63 4.178,64 4.178,65 11.396,66 11.396,67 11.396,68 6.839,69 5.301}
{0 CHEMBL1938454,2 3,3 1,4 19.552,5 267.642,6 6,7 260.567,8 1,9 5.448,10 1,11 17.888,12 0.825,13 4.514,14 1,15 4.022,16 0.171,17 3.275,18 1,19 846,20 9.835,21 188.338,22 1.513,23 1.429,24 1,25 0.26,26 5.686,27 17.854,28 1,29 0.422,30 4.988,31 1,32 1.334,33 0.965,35 17017,36 4.64,37 50.361,38 6.257,39 247.133,40 45,41 21,42 3,43 48,44 0.961,45 0.053,46 13996,47 0.678,48 1.973,49 30.877,50 1.099,51 1.337,52 1.07,53 1.009,54 86,55 18.912,56 0.023,57 2,58 4.464,59 235.422,60 235.422,61 235.422,62 235.422,63 4.171,64 4.171,65 11.381,66 11.381,67 11.381,68 6.836,69 6.398}
{0 CHEMBL1938455,2 3,3 1,4 18.254,5 255.87,6 6,7 287.945,8 1,9 5.477,10 1,11 17.888,12 0.825,13 4.914,15 4.025,16 0.165,17 3.275,18 1,19 950,20 9.463,21 176.567,22 1.513,23 1.429,24 1,25 0.239,26 5.368,27 18.72,28 1,29 0.422,30 4.986,32 1.333,33 0.909,35 18898,36 4.639,37 50.305,38 6.58,39 247.133,40 45,41 20,42 3,43 48,44 0.915,45 0.06,46 17153,47 0.666,48 1.97,49 32.437,50 1.26,51 1.337,52 1.07,53 1.009,54 93,55 19.363,56 0.042,57 2,58 4.472,59 223.651,60 223.651,61 223.651,62 223.651,63 4.218,64 4.218,65 11.808,66 11.808,67 11.808,68 6.961,69 5.658}
{0 CHEMBL1938456,2 3,3 1,4 18.254,5 255.87,6 6,7 287.945,8 1,9 5.55,10 1,11 17.888,12 0.825,13 4.959,15 4.024,16 0.164,17 3.297,18 1,19 961,20 9.463,21 176.567,22 1.513,23 1.429,24 1,25 0.242,26 5.368,27 19.293,28 1,29 0.407,30 4.986,32 1.33,33 0.909,35 18902,36 4.639,37 50.305,38 6.579,39 247.133,40 45,41 20,42 3,43 48,44 0.917,45 0.044,46 17665,47 0.666,48 1.971,49 32.657,50 1.26,51 1.333,52 1.066,53 1.01,54 93,55 18.943,56 0.015,57 2,58 4.472,59 223.651,60 223.651,61 223.651,62 223.651,63 4.18,64 4.18,65 11.41,66 11.41,67 11.41,68 6.842,69 4}
{0 CHEMBL1938457,2 3,3 1,4 18.254,5 255.87,6 6,7 287.945,8 1,9 5.602,10 1,11 17.888,12 0.825,13 4.959,15 4.024,16 0.165,17 3.328,18 1,19 956,20 9.463,21 176.567,22 1.513,23 1.429,24 1,25 0.258,26 5.368,27 19.709,28 1,29 0.407,30 4.986,32 1.325,33 0.909,35 18902,36 4.639,37 50.305,38 6.579,39 247.133,40 45,41 20,42 3,43 48,44 0.906,45 0.044,46 17905,47 0.666,48 1.971,49 32.657,50 1.26,51 1.328,52 1.063,53 1.011,54 93,55 18.935,56 0.015,57 2,58 4.472,59 223.651,60 223.651,61 223.651,62 223.651,63 4.178,64 4.178,65 11.396,66 11.396,67 11.396,68 6.839,69 6.155}
{0 CHEMBL1938458,2 3,3 1,4 17.694,5 244.099,6 5,7 237.025,8 1,9 5.185,10 1,11 17.888,12 0.633,13 4.392,14 1,15 4.022,16 0.177,17 3.186,18 1,19 754,20 8.821,21 164.795,22 1.453,23 1.502,24 1,25 0.165,26 5.124,27 16.314,28 1,29 0.438,30 4.888,31 1,32 1.208,33 0.937,35 14669,36 4.567,37 46.946,38 5.757,39 226.477,40 42,41 19,42 2,43 45,44 1,45 0.04,46 12812,47 0.637,48 1.973,49 28.048,50 1.121,51 1.196,52 1.003,53 0.972,54 72,55 18.912,56 -0.002,58 4.397,59 211.88,60 211.88,61 211.88,62 211.88,63 4.171,64 4.171,65 11.381,66 11.381,67 11.381,68 6.836,69 6.097}
{0 CHEMBL1938459,2 3,3 1,4 16.175,5 232.328,6 5,7 264.402,8 1,9 5.293,10 1,11 17.888,12 0.633,13 4.869,14 1,15 4.024,16 0.171,17 3.209,18 1,19 858,20 8.408,21 153.024,22 1.451,23 1.5,24 1,25 0.152,26 4.792,27 17.75,28 1,29 0.423,30 4.886,31 1,32 1.204,33 0.88,35 16346,36 4.566,37 46.89,38 6.079,39 226.477,40 42,41 18,42 2,43 45,44 0.954,45 0.03,46 16307,47 0.626,48 1.97,49 29.563,50 1.281,51 1.191,52 0.997,53 0.973,54 78,55 18.943,56 -0.013,58 4.405,59 200.109,60 200.109,61 200.109,62 200.109,63 4.18,64 4.18,65 11.41,66 11.41,67 11.41,68 6.842,69 5.367}
{0 CHEMBL1938460,2 3,3 1,4 16.175,5 232.328,6 5,7 264.402,8 1,9 5.344,10 1,11 17.888,12 0.633,13 4.869,14 1,15 4.024,16 0.171,17 3.246,18 1,19 852,20 8.408,21 153.024,22 1.449,23 1.498,24 1,25 0.154,26 4.792,27 18.167,28 1,29 0.422,30 4.886,31 1,32 1.191,33 0.88,35 16346,36 4.566,37 46.89,38 6.079,39 226.477,40 42,41 18,42 2,43 45,44 0.942,45 0.03,46 16531,47 0.626,48 1.97,49 29.563,50 1.281,51 1.18,52 0.997,53 0.973,54 78,55 18.935,56 -0.013,58 4.405,59 200.109,60 200.109,61 200.109,62 200.109,63 4.178,64 4.178,65 11.396,66 11.396,67 11.396,68 6.839,69 6}
{0 CHEMBL1938461,2 1,3 1,4 7.97,5 149.931,6 1,7 182.005,8 1,9 4.152,10 1,11 17.888,12 0.259,13 4.748,14 1,15 4.019,16 0.219,17 2.811,18 1,19 383,20 4.959,21 117.711,22 1.115,23 1.105,24 1,26 2.796,27 11.429,28 1,29 0.542,30 4.386,31 1,32 1.026,33 0.797,34 1,35 6999,36 4.123,37 33.146,38 4.023,39 147.207,40 30,41 11,43 32,44 1.197,45 0.03,46 9604,47 0.417,48 1.97,49 17.344,50 1.462,51 0.982,52 0.813,53 0.755,54 45,55 18.931,56 -0.025,58 4.002,59 117.711,60 117.711,61 117.711,62 117.711,63 4.176,64 4.176,65 11.392,66 11.392,67 11.392,68 6.839,69 4}
{0 CHEMBL1938462,2 4,3 1,4 19.552,5 267.642,6 6,7 260.567,8 1,9 5.622,10 1,11 17.888,12 0.84,13 4.514,14 1,15 4.022,16 0.171,17 3.322,18 1,19 868,20 9.835,21 188.338,22 1.576,23 1.595,24 1,25 0.168,26 5.686,27 18.847,28 1,29 0.421,30 4.974,31 1,32 1.312,33 0.965,34 1,35 16152,36 4.64,37 50.361,38 6.233,39 247.133,40 45,41 21,42 3,43 48,44 1.031,45 0.048,46 14449,47 0.678,48 1.973,49 30.574,50 1.099,51 1.304,52 1.063,53 1.006,54 84,55 18.912,56 0.021,58 4.464,59 235.422,60 235.422,61 235.422,62 235.422,63 4.171,64 4.171,65 11.38,66 11.38,67 11.38,68 6.836,69 5.854}
{0 CHEMBL1938463,2 4,3 1,4 18.254,5 255.87,6 6,7 287.945,8 1,9 5.77,10 1,11 17.888,12 0.84,13 4.959,14 1,15 4.024,16 0.165,17 3.378,18 1,19 980,20 9.463,21 176.567,22 1.575,23 1.594,24 1,25 0.167,26 5.368,27 20.8,28 1,29 0.407,30 4.972,31 1,32 1.301,33 0.909,34 1,35 17957,36 4.639,37 50.305,38 6.554,39 247.133,40 45,41 20,42 3,43 48,44 0.976,45 0.041,46 18414,47 0.666,48 1.971,49 32.484,50 1.26,51 1.293,52 1.056,53 1.007,54 91,55 18.934,56 0.014,58 4.472,59 223.651,60 223.651,61 223.651,62 223.651,63 4.178,64 4.178,65 11.396,66 11.396,67 11.396,68 6.839,69 5.523}
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{0 CHEMBL1938465,2 4,3 1,4 22.726,5 302.955,6 7,7 295.88,8 1,9 6.215,10 1,11 17.888,12 0.825,13 4.669,14 1,15 4.022,16 0.159,17 3.501,18 1,19 1060,20 10.541,21 270.735,22 1.527,23 1.502,24 1,25 0.279,26 6.337,27 22.059,28 1,29 0.392,30 5.062,31 1,32 1.429,33 0.872,34 1,35 21021,36 4.767,37 56.275,38 6.516,39 282.193,40 50,41 24,42 1,43 53,44 1.077,45 0.015,46 18514,47 0.779,48 1.973,49 33.009,50 1.239,51 1.376,52 1.153,53 1.064,54 114,55 18.912,56 -0.036,58 4.572,59 270.735,60 270.735,61 270.735,62 270.735,63 4.171,64 4.171,65 11.38,66 11.38,67 11.38,68 6.836,69 5.886}
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{0 CHEMBL1938467,2 5,3 1,4 21.884,5 291.184,6 7,7 334.856,8 1,9 6.703,10 1,11 17.888,12 0.825,13 5.109,14 1,15 4.054,16 0.144,17 3.634,18 1,19 1501,20 10.12,21 258.964,22 1.527,23 1.554,24 1,25 0.279,26 6.016,27 29.372,28 1,29 0.356,30 5.095,31 1,32 1.473,33 0.861,34 1,35 28094,36 4.801,37 58.777,38 6.794,39 296.423,40 52,41 23,42 1,43 55,44 1.06,45 -0.003,46 30155,47 0.831,48 1.982,49 32.459,50 1.416,51 1.476,52 1.153,53 1.065,54 141,55 18.945,56 -0.039,58 4.621,59 258.964,60 258.964,61 258.964,62 258.964,63 4.186,64 4.186,65 11.403,66 11.403,67 11.403,68 6.841,69 5.824}
{0 CHEMBL1956548,1 1,3 1,4 4.239,5 82.398,7 158.462,8 1,9 3.825,10 1,12 0.207,13 4.755,14 1,15 4.157,16 0.167,17 2.689,18 1,19 287,20 3.38,21 94.169,22 1.136,23 1.099,26 2.023,27 9.058,28 0.83,29 0.563,30 4.313,32 0.849,33 0.771,35 14818,36 4.012,37 29.313,38 3.494,39 128.382,40 27,41 8,43 30,44 1.261,45 -0.07,46 9069,47 0.267,48 2.122,49 10.482,50 1.378,51 0.819,52 0.631,53 0.576,54 40,55 20.379,56 -0.012,58 3.93,59 94.169,60 94.169,61 94.169,62 94.169,63 4.384,64 4.384,65 12.379,66 12.379,67 12.379,68 7.118,69 4}
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{0 CHEMBL1956550,1 1,2 5,3 1,4 17.902,5 223.651,6 5,7 260.567,8 1,9 5.922,10 1,11 18.011,12 0.585,13 5.012,14 1,15 4.161,16 0.132,17 3.446,18 1,19 898,20 9.483,21 211.88,22 1.568,23 1.568,24 1,25 0.368,26 5.64,27 22.87,28 1,29 0.442,30 4.897,31 1,32 1.341,33 0.775,34 3,35 29496,36 4.644,37 51.441,38 5.434,39 254.084,40 46,41 21,42 1,43 49,44 0.989,45 -0.011,46 15405,47 0.66,48 2.123,49 23.164,50 1.388,51 1.342,52 1.168,53 1.131,54 108,55 20.381,56 0.01,58 4.458,59 235.422,60 235.422,61 235.422,62 235.422,63 4.386,64 4.386,65 12.381,66 12.381,67 12.381,68 7.118,69 5.924}
{0 CHEMBL1956551,1 1,2 6,3 1,4 19.475,5 247.193,6 6,7 284.109,8 1,9 6.091,10 1,11 18.011,12 0.869,13 4.972,14 1,15 4.161,16 0.127,17 3.476,18 1,19 988,20 10.487,21 188.338,22 1.678,23 1.635,24 1,25 0.272,26 6.198,27 24,28 1,29 0.427,30 4.999,31 1,32 1.568,33 0.844,34 2,35 32073,36 4.71,37 54.856,38 6.049,39 275.121,40 49,41 23,43 52,44 0.833,45 0.186,46 16452,47 0.701,48 2.123,49 26.179,50 1.37,51 1.564,52 1.351,53 1.256,54 106,55 20.381,56 0.176,58 4.522,59 258.964,60 258.964,61 258.964,62 258.964,63 4.386,64 4.386,65 12.381,66 12.381,67 12.381,68 7.118,69 5.947}
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{0 CHEMBL1956555,1 1,2 3,3 1,4 11.123,5 129.482,6 2,7 209.081,8 1,9 4.783,10 1,11 18.011,12 0.406,13 5.059,14 1,15 4.16,16 0.147,17 3.108,18 1,19 552,20 6.257,21 141.253,22 1.3,23 1.324,24 1,26 3.645,27 15.372,28 1,29 0.495,30 4.652,31 1,32 1.13,33 0.859,34 2,35 21425,36 4.337,37 39.907,38 4.406,39 186.117,40 36,41 14,43 39,44 1.161,45 0.163,46 12532,47 0.482,48 2.123,49 16.795,50 1.322,51 1.111,52 0.93,53 0.887,54 84,55 20.381,56 0.162,58 4.208,59 141.253,60 141.253,61 141.253,62 141.253,63 4.386,64 4.386,65 12.381,66 12.381,67 12.381,68 7.118,69 4}
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{0 CHEMBL1956557,1 1,2 4,3 1,4 18.497,5 223.651,6 6,7 260.567,8 1,9 6.085,10 1,11 18.011,12 0.812,13 5.044,14 1,15 4.161,16 0.123,17 3.478,18 0.88,19 978,20 10.06,21 188.338,22 1.568,23 1.569,24 1,25 0.237,26 5.743,27 23.586,28 1,29 0.413,30 5.029,31 1,32 1.519,33 0.895,34 2,35 44187,36 4.697,37 52.441,38 6.178,39 261.066,40 47,41 21,42 2,43 51,44 0.946,45 0.08,46 17864,47 0.676,48 2.123,49 26.475,50 1.142,51 1.504,52 1.27,53 1.209,54 102,55 20.381,56 0.081,58 4.525,59 235.422,60 235.422,61 235.422,62 235.422,63 4.386,64 4.386,65 12.381,66 12.381,67 12.381,68 7.118,69 5.556}
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{0 CHEMBL2019040,1 2,2 15,3 0.5,4 36.983,5 482.615,6 16,7 565.905,9 12.323,11 36.022,12 1.107,13 5.548,15 4.118,16 0.079,17 4.492,18 0.63,19 4140,20 19.756,21 435.531,22 1.939,23 1.897,24 2,25 0.753,26 11.442,27 59.681,28 0.67,29 0.241,30 5.621,32 1.758,33 1.023,34 4,35 124927,36 5.289,37 96.846,38 12.081,39 552.659,40 86,41 43,42 12,43 90,44 1.118,45 0.061,46 101666,47 1.182,48 2.072,49 50.786,50 1.254,51 1.759,52 1.551,53 1.523,54 243,55 18.879,56 0.106,57 18,58 5.107,59 482.615,60 482.615,61 482.615,62 482.615,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 9.26}
{0 CHEMBL2019041,1 2,2 15,3 0.5,4 37.044,5 470.844,6 16,7 593.282,9 12.487,11 36.022,12 1.107,13 5.548,15 4.12,16 0.077,17 4.514,18 0.63,19 4382,20 19.574,21 423.76,22 1.922,23 1.889,24 2,25 0.752,26 11.185,27 61.409,28 0.67,29 0.237,30 5.62,32 1.758,33 0.986,34 4,35 135456,36 5.289,37 96.79,38 12.402,39 552.659,40 86,41 42,42 12,43 90,44 1.086,45 0.061,46 117627,47 1.171,48 2.07,49 53.62,50 1.325,51 1.758,52 1.551,53 1.523,54 256,55 18.902,56 0.104,57 18,58 5.111,59 470.844,60 470.844,61 470.844,62 470.844,63 4.214,64 4.214,65 11.364,66 11.364,67 11.364,68 6.833,69 9.071}
{0 CHEMBL2019042,1 2,2 15,3 0.5,4 36.769,5 459.073,6 16,7 620.66,9 12.549,11 36.022,12 1.107,13 5.548,15 4.123,16 0.075,17 4.515,18 0.63,19 4609,20 19.359,21 411.989,22 1.896,23 1.88,24 2,25 0.752,26 10.913,27 61.613,28 0.67,29 0.241,30 5.619,32 1.757,33 0.952,34 4,35 146015,36 5.288,37 96.734,38 12.724,39 552.659,40 86,41 41,42 12,43 90,44 1.096,45 0.086,46 132068,47 1.16,48 2.067,49 55.954,50 1.383,51 1.758,52 1.551,53 1.523,54 270,55 19.368,56 0.123,57 18,58 5.114,59 459.073,60 459.073,61 459.073,62 459.073,63 4.262,64 4.262,65 11.809,66 11.809,67 11.809,68 6.962,69 7}
{0 CHEMBL2019043,1 2,2 13,3 0.5,4 32.781,5 423.76,6 14,7 527.733,9 11.762,11 36.022,12 1.095,13 5.57,15 4.117,16 0.084,17 4.423,18 0.63,19 3404,20 18.663,21 376.675,22 1.94,23 1.896,24 2,25 0.753,26 10.492,27 51.9,28 0.67,29 0.258,30 5.589,32 1.754,33 1.109,34 6,35 97908,36 5.192,37 88.806,38 11.338,39 497.999,40 79,41 39,42 12,43 83,44 1.117,45 0.053,46 85765,47 1.093,48 2.072,49 48.573,50 1.196,51 1.747,52 1.546,53 1.512,54 232,55 18.879,56 0.096,57 18,58 5.014,59 423.76,60 423.76,61 423.76,62 423.76,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 9}
{0 CHEMBL2019044,1 2,2 13,3 0.5,4 32.545,5 411.989,6 14,7 555.11,9 11.915,11 36.022,12 1.095,13 5.57,15 4.119,16 0.082,17 4.446,18 0.63,19 3655,20 18.444,21 364.904,22 1.922,23 1.888,24 2,25 0.752,26 10.214,27 53.655,28 0.67,29 0.253,30 5.588,32 1.753,33 1.07,34 6,35 106313,36 5.192,37 88.75,38 11.659,39 497.999,40 79,41 38,42 12,43 83,44 1.083,45 0.056,46 99792,47 1.082,48 2.07,49 51.648,50 1.282,51 1.746,52 1.546,53 1.512,54 246,55 18.902,56 0.096,57 18,58 5.018,59 411.989,60 411.989,61 411.989,62 411.989,63 4.214,64 4.214,65 11.364,66 11.364,67 11.364,68 6.833,69 8.456}
{0 CHEMBL2019045,1 2,2 13,3 0.5,4 31.93,5 400.217,6 14,7 582.488,9 11.963,11 36.022,12 1.095,13 5.57,15 4.122,16 0.08,17 4.445,18 0.63,19 3856,20 18.188,21 353.133,22 1.896,23 1.88,24 2,25 0.752,26 9.919,27 55.342,28 0.67,29 0.257,30 5.587,32 1.753,33 1.033,34 6,35 114748,36 5.191,37 88.694,38 11.981,39 497.999,40 79,41 37,42 12,43 83,44 1.096,45 0.084,46 112459,47 1.071,48 2.067,49 54.173,50 1.351,51 1.746,52 1.546,53 1.512,54 260,55 19.368,56 0.118,57 18,58 5.022,59 400.217,60 400.217,61 400.217,62 400.217,63 4.262,64 4.262,65 11.809,66 11.809,67 11.809,68 6.962,69 7.757}
{0 CHEMBL2019046,1 2,2 14,3 0.5,4 34.905,5 447.302,6 15,7 562.275,9 12.067,11 36.022,12 1.095,13 5.619,15 4.118,16 0.081,17 4.445,18 0.63,19 3844,20 19.168,21 400.217,22 1.939,23 1.896,24 2,25 0.753,26 10.921,27 56.095,28 0.67,29 0.247,30 5.609,32 1.756,33 1.062,34 6,35 115772,36 5.245,37 93.431,38 11.786,39 529.128,40 83,41 41,42 12,43 87,44 1.096,45 0.055,46 97635,47 1.144,48 2.072,49 50.017,50 1.268,51 1.753,52 1.549,53 1.518,54 226,55 18.879,56 0.105,57 18,58 5.067,59 447.302,60 447.302,61 447.302,62 447.302,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.699}
{0 CHEMBL2019047,1 2,2 13,3 0.5,4 32.767,5 411.989,6 14,7 558.645,9 11.874,11 36.022,12 1.085,13 5.597,15 4.117,16 0.082,17 4.414,18 0.63,19 3603,20 18.569,21 364.904,22 1.938,23 1.896,24 2,25 0.753,26 10.392,27 53.491,28 0.67,29 0.252,30 5.598,32 1.753,33 1.104,34 8,35 106649,36 5.199,37 90.016,38 11.493,39 505.754,40 80,41 39,42 12,43 84,44 1.101,45 0.047,46 94368,47 1.107,48 2.072,49 49.362,50 1.282,51 1.748,52 1.545,53 1.512,54 198,55 18.879,56 0.1,57 18,58 5.025,59 411.989,60 411.989,61 411.989,62 411.989,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 9.456}
{0 CHEMBL2019048,1 2,2 14,3 0.5,4 34.773,5 435.531,6 15,7 589.652,9 12.229,11 36.022,12 1.095,13 5.619,15 4.12,16 0.079,17 4.47,18 0.63,19 4102,20 18.964,21 388.446,22 1.922,23 1.889,24 2,25 0.752,26 10.651,27 57.735,28 0.67,29 0.242,30 5.608,32 1.755,33 1.024,34 6,35 125585,36 5.244,37 93.375,38 12.108,39 529.128,40 83,41 40,42 12,43 87,44 1.063,45 0.056,46 113142,47 1.133,48 2.07,49 52.902,50 1.338,51 1.752,52 1.549,53 1.518,54 239,55 18.902,56 0.104,57 18,58 5.071,59 435.531,60 435.531,61 435.531,62 435.531,63 4.214,64 4.214,65 11.364,66 11.364,67 11.364,68 6.833,69 9.757}
{0 CHEMBL2019049,1 2,2 13,3 0.5,4 32.425,5 400.217,6 14,7 586.023,9 12.032,11 36.022,12 1.085,13 5.597,15 4.119,16 0.081,17 4.441,18 0.63,19 3836,20 18.341,21 353.133,22 1.922,23 1.888,24 2,25 0.752,26 10.109,27 55.079,28 0.67,29 0.247,30 5.597,32 1.752,33 1.065,34 8,35 115746,36 5.198,37 89.96,38 11.814,39 505.754,40 80,41 38,42 12,43 84,44 1.068,45 0.049,46 109485,47 1.096,48 2.07,49 52.278,50 1.351,51 1.747,52 1.545,53 1.512,54 210,55 18.902,56 0.099,57 18,58 5.029,59 400.217,60 400.217,61 400.217,62 400.217,63 4.214,64 4.214,65 11.364,66 11.364,67 11.364,68 6.833,69 8.523}
{0 CHEMBL2019050,1 2,2 14,3 0.5,4 34.293,5 423.76,6 15,7 617.03,9 12.286,11 36.022,12 1.095,13 5.619,15 4.123,16 0.077,17 4.469,18 0.63,19 4304,20 18.726,21 376.675,22 1.896,23 1.88,24 2,25 0.752,26 10.366,27 58.281,28 0.67,29 0.246,30 5.608,32 1.755,33 0.989,34 6,35 135428,36 5.244,37 93.319,38 12.43,39 529.128,40 83,41 39,42 12,43 87,44 1.075,45 0.082,46 127161,47 1.122,48 2.067,49 55.253,50 1.395,51 1.752,52 1.549,53 1.518,54 252,55 19.368,56 0.124,57 18,58 5.075,59 423.76,60 423.76,61 423.76,62 423.76,63 4.262,64 4.262,65 11.809,66 11.809,67 11.809,68 6.962,69 7.456}
{0 CHEMBL2019051,1 2,2 13,3 0.5,4 31.722,5 388.446,6 14,7 613.4,9 12.085,11 36.022,12 1.085,13 5.597,15 4.122,16 0.079,17 4.44,18 0.63,19 4058,20 18.078,21 341.362,22 1.896,23 1.88,24 2,25 0.752,26 9.81,27 55.73,28 0.67,29 0.251,30 5.596,32 1.752,33 1.029,34 8,35 124873,36 5.198,37 89.904,38 12.136,39 505.754,40 80,41 37,42 12,43 84,44 1.081,45 0.077,46 123146,47 1.085,48 2.067,49 54.624,50 1.406,51 1.746,52 1.545,53 1.512,54 223,55 19.368,56 0.12,57 18,58 5.034,59 388.446,60 388.446,61 388.446,62 388.446,63 4.262,64 4.262,65 11.809,66 11.809,67 11.809,68 6.962,69 7.456}
{0 CHEMBL2019052,1 2,2 13,3 0.5,4 32.767,5 411.989,6 14,7 558.645,9 11.925,11 36.022,12 1.087,13 5.572,15 4.117,16 0.082,17 4.436,18 0.63,19 3626,20 18.569,21 364.904,22 1.938,23 1.896,24 2,25 0.753,26 10.392,27 54.038,28 0.67,29 0.252,30 5.598,32 1.753,33 1.104,34 6,35 106652,36 5.199,37 90.016,38 11.493,39 505.754,40 80,41 39,42 12,43 84,44 1.118,45 0.045,46 94980,47 1.107,48 2.072,49 49.447,50 1.282,51 1.748,52 1.543,53 1.512,54 223,55 18.879,56 0.095,57 18,58 5.025,59 411.989,60 411.989,61 411.989,62 411.989,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.097}
{0 CHEMBL2019053,1 2,2 13,3 0.5,4 32.425,5 400.217,6 14,7 586.023,9 12.082,11 36.022,12 1.087,13 5.572,15 4.119,16 0.08,17 4.46,18 0.63,19 3860,20 18.341,21 353.133,22 1.922,23 1.888,24 2,25 0.752,26 10.109,27 55.624,28 0.67,29 0.247,30 5.597,32 1.752,33 1.065,34 6,35 115749,36 5.198,37 89.96,38 11.814,39 505.754,40 80,41 38,42 12,43 84,44 1.085,45 0.047,46 110145,47 1.096,48 2.07,49 52.339,50 1.351,51 1.747,52 1.543,53 1.512,54 236,55 18.902,56 0.094,57 18,58 5.029,59 400.217,60 400.217,61 400.217,62 400.217,63 4.214,64 4.214,65 11.364,66 11.364,67 11.364,68 6.833,69 7.553}
{0 CHEMBL2019054,1 2,2 13,3 0.5,4 31.722,5 388.446,6 14,7 613.4,9 12.135,11 36.022,12 1.087,13 5.572,15 4.122,16 0.079,17 4.459,18 0.63,19 4083,20 18.078,21 341.362,22 1.896,23 1.88,24 2,25 0.752,26 9.81,27 56.324,28 0.67,29 0.251,30 5.596,32 1.751,33 1.029,34 6,35 124876,36 5.198,37 89.904,38 12.137,39 505.754,40 80,41 37,42 12,43 84,44 1.098,45 0.075,46 123854,47 1.085,48 2.067,49 54.661,50 1.406,51 1.747,52 1.543,53 1.512,54 250,55 19.368,56 0.116,57 18,58 5.034,59 388.446,60 388.446,61 388.446,62 388.446,63 4.262,64 4.262,65 11.809,66 11.809,67 11.809,68 6.962,69 7.056}
{0 CHEMBL2022040,1 2,2 8,3 1,4 26.935,5 306.049,6 7,7 405.869,9 10.497,12 1.063,13 5.771,15 4.177,16 0.068,17 4.319,18 0.75,19 4342,20 12.839,21 294.278,22 1.834,23 1.8,25 0.578,26 7.721,27 63.602,28 0.67,29 0.226,30 5.314,32 1.661,33 0.812,35 660401,36 5.091,37 79.858,38 9.205,39 444.235,40 72,41 29,42 2,43 79,44 1.152,45 -0.002,46 105681,47 0.935,48 2.109,49 34.156,50 1.078,51 1.67,52 1.476,53 1.435,54 266,55 18.619,56 0.012,58 4.97,59 341.362,60 341.362,61 341.362,62 341.362,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 6.194}
{0 CHEMBL2022041,1 1,2 7,3 1,4 25.849,5 270.735,6 7,7 375.193,9 9.17,11 34.796,12 0.853,13 5.816,15 4.178,16 0.079,17 4.118,18 0.75,19 3311,20 12.561,21 258.964,22 1.658,23 1.709,24 1,25 0.578,26 7.336,27 52.243,28 0.67,29 0.252,30 5.274,32 1.66,33 0.829,34 4,35 306500,36 5.032,37 74.732,38 8.638,39 406.428,40 67,41 28,42 2,43 73,44 1.116,45 -0.007,46 74504,47 0.934,48 2.109,49 33.141,50 1.2,51 1.667,52 1.474,53 1.43,54 213,55 18.619,56 -0.005,58 4.895,59 306.049,60 306.049,61 306.049,62 306.049,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.66}
{0 CHEMBL2022042,1 1,2 7,3 1,4 25.141,5 270.735,6 7,7 384.7,9 9.17,11 18.011,12 0.853,13 5.791,15 4.176,16 0.079,17 4.118,18 0.75,19 3311,20 12.035,21 258.964,22 1.647,23 1.667,24 1,25 0.578,26 7.118,27 52.243,28 0.67,29 0.252,30 5.246,32 1.638,33 0.814,34 1,35 306500,36 5.014,37 73.443,38 8.605,39 398.93,40 66,41 27,42 2,43 72,44 1.134,45 0.022,46 76908,47 0.884,48 2.109,49 32.34,50 1.2,51 1.654,52 1.453,53 1.421,54 213,55 18.619,56 0.019,58 4.886,59 306.049,60 306.049,61 306.049,62 306.049,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.812}
{0 CHEMBL2022043,1 3,2 7,3 1,4 24.444,5 337.326,6 7,7 317.049,9 8.973,11 18.011,12 1.071,13 5.537,15 4.122,16 0.086,17 4.036,18 0.75,19 2006,20 13.205,21 282.506,22 1.86,23 1.83,24 1,25 0.495,26 7.481,27 37.353,28 0.67,29 0.291,30 5.237,32 1.474,33 0.961,34 3,35 113915,36 4.906,37 67.607,38 8.32,39 361.775,40 61,41 27,42 5,43 66,44 1.19,45 0.094,46 48668,47 0.819,48 2.072,49 35.744,50 0.874,51 1.465,52 1.283,53 1.253,54 152,55 18.879,56 0.092,57 6,58 4.754,59 306.049,60 306.049,61 306.049,62 306.049,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.914}
{0 CHEMBL2022044,1 3,2 8,3 1,4 26.27,5 360.869,6 8,7 340.591,9 9.479,11 18.011,12 1.077,13 5.594,15 4.123,16 0.084,17 4.115,18 0.63,19 2214,20 14.249,21 282.506,22 1.919,23 1.88,24 1,25 0.598,26 8.061,27 40.093,28 0.67,29 0.284,30 5.297,32 1.557,33 0.978,34 3,35 120677,36 4.959,37 71.022,38 8.82,39 384,40 64,41 29,42 6,43 69,44 1.173,45 0.097,46 53437,47 0.862,48 2.072,49 38.161,50 0.863,51 1.547,52 1.327,53 1.281,54 163,55 18.879,56 0.097,57 6,58 4.802,59 329.591,60 329.591,61 329.591,62 329.591,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.73}
{0 CHEMBL2022045,1 3,2 9,3 1,4 28.052,5 384.411,6 9,7 364.133,9 9.982,11 18.011,12 1.08,13 5.648,15 4.123,16 0.082,17 4.191,18 0.63,19 2422,20 15.274,21 306.049,22 1.946,23 1.9,24 1,25 0.618,26 8.635,27 42.904,28 0.5,29 0.277,30 5.354,32 1.644,33 0.994,34 3,35 127585,36 5.009,37 74.437,38 9.32,39 406.428,40 67,41 31,42 7,43 72,44 1.132,45 0.099,46 58442,47 0.905,48 2.072,49 40.494,50 0.852,51 1.628,52 1.398,53 1.337,54 174,55 18.879,56 0.1,57 8,58 4.847,59 353.133,60 353.133,61 353.133,62 353.133,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.767}
{0 CHEMBL2022046,1 3,2 10,3 1,4 29.794,5 407.953,6 10,7 387.675,9 10.484,11 18.011,12 1.085,13 5.701,15 4.123,16 0.08,17 4.262,18 0.63,19 2666,20 16.282,21 329.591,22 1.948,23 1.901,24 1,25 0.664,26 9.204,27 45.893,28 0.33,29 0.27,30 5.407,32 1.715,33 1.008,34 3,35 134640,36 5.056,37 77.852,38 9.82,39 429.05,40 70,41 33,42 8,43 75,44 1.121,45 0.1,46 63687,47 0.947,48 2.072,49 42.755,50 0.842,51 1.693,52 1.476,53 1.409,54 186,55 18.879,56 0.103,57 10,58 4.89,59 376.675,60 376.675,61 376.675,62 376.675,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.086}
{0 CHEMBL2022047,1 3,2 7,3 1,4 23.259,5 306.049,6 7,7 326.556,9 8.973,11 18.011,12 1.064,13 5.537,15 4.127,16 0.086,17 4.036,18 0.88,19 2006,20 12.916,21 282.506,22 1.861,23 1.831,24 1,25 0.487,26 7.36,27 37.353,28 0.83,29 0.291,30 5.245,32 1.48,33 0.995,34 3,35 113915,36 4.915,37 67.896,38 7.963,39 361.775,40 61,41 27,42 5,43 66,44 1.227,45 0.034,46 48668,47 0.829,48 2.072,49 33.537,50 0.874,51 1.5,52 1.278,53 1.234,54 152,55 18.879,56 0.072,57 6,58 4.763,59 306.049,60 306.049,61 306.049,62 306.049,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.453}
{0 CHEMBL2022048,1 3,2 8,3 1,4 24.986,5 329.591,6 8,7 350.098,9 9.479,11 18.011,12 1.066,13 5.594,15 4.128,16 0.084,17 4.115,18 0.63,19 2214,20 13.936,21 282.506,22 1.921,23 1.881,24 1,25 0.598,26 7.931,27 40.093,28 0.67,29 0.284,30 5.304,32 1.56,33 1.011,34 3,35 120677,36 4.967,37 71.311,38 8.463,39 384,40 64,41 29,42 6,43 69,44 1.209,45 0.038,46 53437,47 0.871,48 2.072,49 35.833,50 0.863,51 1.562,52 1.325,53 1.271,54 163,55 18.879,56 0.078,57 6,58 4.81,59 329.591,60 329.591,61 329.591,62 329.591,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.684}
{0 CHEMBL2022049,1 2,2 7,3 1,4 23.86,5 317.82,6 7,7 338.327,9 8.973,11 18.011,12 1.065,13 5.567,15 4.137,16 0.086,17 4.036,18 0.75,19 2006,20 13.529,21 294.278,22 1.862,23 1.832,24 1,25 0.543,26 7.726,27 37.353,28 0.83,29 0.291,30 5.263,32 1.507,33 0.994,34 3,35 113915,36 4.924,37 68.813,38 8.043,39 369.16,40 62,41 28,42 5,43 67,44 1.191,45 0.041,46 46964,47 0.805,48 2.072,49 34.435,50 0.874,51 1.528,52 1.338,53 1.321,54 152,55 18.879,56 0.06,57 6,58 4.773,59 317.82,60 317.82,61 317.82,62 317.82,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.807}
{0 CHEMBL2022050,1 2,2 8,3 1,4 25.555,5 341.362,6 8,7 361.869,9 9.479,11 18.011,12 1.071,13 5.622,15 4.137,16 0.084,17 4.115,18 0.63,19 2214,20 14.55,21 294.278,22 1.922,23 1.882,24 1,25 0.599,26 8.297,27 40.093,28 0.5,29 0.284,30 5.322,32 1.568,33 1.01,34 3,35 120677,36 4.976,37 72.228,38 8.543,39 391.454,40 65,41 30,42 6,43 70,44 1.175,45 0.046,46 51595,47 0.847,48 2.072,49 36.685,50 0.863,51 1.573,52 1.356,53 1.334,54 163,55 18.879,56 0.066,57 6,58 4.82,59 341.362,60 341.362,61 341.362,62 341.362,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.623}
{0 CHEMBL2024053,1 1,2 7,3 1,4 25.758,5 294.278,6 6,7 394.098,9 10,12 0.956,13 5.747,15 4.179,16 0.07,17 4.25,18 0.75,19 4032,20 12.35,21 306.049,22 1.709,23 1.706,25 0.578,26 7.499,27 60.095,28 0.67,29 0.231,30 5.273,32 1.654,33 0.793,35 630513,36 5.053,37 77.36,38 8.791,39 429.05,40 70,41 28,42 1,43 77,44 1.072,45 0.014,46 94938,47 0.868,48 2.108,49 32.623,50 1.087,51 1.658,52 1.441,53 1.401,54 250,55 18.619,56 -0.011,58 4.938,59 329.591,60 329.591,61 329.591,62 329.591,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 6.162}
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{0 CHEMBL2024058,1 2,2 8,3 1,4 27.855,5 337.326,6 7,7 396.361,9 10.497,12 1.069,13 5.771,15 4.176,16 0.068,17 4.319,18 0.75,19 4342,20 13.062,21 294.278,22 1.833,23 1.798,25 0.578,26 7.825,27 63.602,28 0.67,29 0.226,30 5.306,32 1.661,33 0.79,35 660401,36 5.083,37 79.569,38 9.563,39 444.235,40 72,41 29,42 2,43 79,44 1.123,45 0.046,46 105681,47 0.923,48 2.109,49 35.707,50 1.078,51 1.669,52 1.476,53 1.435,54 266,55 18.619,56 0.026,58 4.962,59 341.362,60 341.362,61 341.362,62 341.362,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 6.231}
{0 CHEMBL2024059,1 2,2 7,3 1,4 25.066,5 282.506,6 6,7 382.327,9 10,12 0.954,13 5.721,15 4.177,16 0.07,17 4.25,18 0.75,19 4032,20 11.738,21 294.278,22 1.707,23 1.703,25 0.578,26 7.136,27 60.095,28 0.67,29 0.231,30 5.255,32 1.653,33 0.788,35 630513,36 5.045,37 76.443,38 8.711,39 421.488,40 69,41 27,42 1,43 76,44 1.102,45 0.007,46 97846,47 0.893,48 2.108,49 31.384,50 1.087,51 1.657,52 1.432,53 1.385,54 250,55 18.619,56 -0.003,58 4.929,59 317.82,60 317.82,61 317.82,62 317.82,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 6.461}
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{0 CHEMBL2036259,1 2,2 7,3 1,4 22.051,5 297.528,6 9,7 294.928,8 1,9 6.255,10 1,11 36.022,12 0.758,13 5.247,14 1,15 4.112,16 0.139,17 3.512,18 1,19 934,20 11.688,21 246.24,22 1.498,23 1.491,24 2,25 0.249,26 6.674,27 21.903,28 1,29 0.436,30 5.085,31 1,32 1.381,33 1.104,34 5,35 12218,36 4.717,37 55.192,38 7.316,39 275.121,40 49,41 25,42 6,43 51,44 1.201,45 0.051,46 15802,47 0.718,48 2.072,49 31.05,50 1.189,51 1.351,52 1.137,53 1.062,54 114,55 18.879,56 0.085,57 6,58 4.525,59 269.783,60 269.783,61 269.783,62 269.783,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.74}
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{0 CHEMBL2036261,1 2,2 8,3 1,4 23.569,5 321.07,6 10,7 318.47,8 1,9 6.724,10 1,11 36.022,12 0.809,13 5.239,14 1,15 4.112,16 0.134,17 3.621,18 1,19 1052,20 12.59,21 246.24,22 1.578,23 1.569,24 2,25 0.304,26 7.204,27 24.416,28 1,29 0.42,30 5.154,31 1,32 1.387,33 1.121,34 5,35 13537,36 4.78,37 58.607,38 7.816,39 296.423,40 52,41 27,42 7,43 54,44 1.175,45 0.052,46 17909,47 0.757,48 2.072,49 33.027,50 1.164,51 1.366,52 1.172,53 1.1,54 126,55 18.879,56 0.085,57 6,58 4.584,59 293.325,60 293.325,61 293.325,62 293.325,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.89}
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{0 CHEMBL2147360,1 2,2 13,3 0.5,4 30.978,5 423.76,6 14,7 466.443,9 10.03,11 36.022,12 1.134,13 5.566,15 4.115,16 0.093,17 4.181,18 0.88,19 2132,20 17.999,21 376.675,22 1.91,23 1.865,24 2,25 0.738,26 10.387,27 41.51,28 0.83,29 0.315,30 5.502,32 1.694,33 1.154,34 7,35 37788,36 5.109,37 81.178,38 9.991,39 444.235,40 72,41 39,42 11,43 75,44 1.101,45 0.009,46 40182,47 1.007,48 2.072,49 42.469,50 0.931,51 1.671,52 1.444,53 1.365,54 179,55 18.879,56 0.047,57 16,58 4.905,59 423.76,60 423.76,61 423.76,62 423.76,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.086}
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{0 CHEMBL2147459,1 2,2 13,3 0.5,4 31.486,5 411.989,6 14,7 493.821,9 10.157,11 36.022,12 1.134,13 5.566,15 4.117,16 0.091,17 4.212,18 0.63,19 2332,20 17.884,21 364.904,22 1.905,23 1.864,24 2,25 0.738,26 10.159,27 44.54,28 0.5,29 0.307,30 5.501,32 1.692,33 1.107,34 7,35 41385,36 5.109,37 81.122,38 10.312,39 444.235,40 72,41 38,42 11,43 75,44 1.06,45 0.014,46 48091,47 0.996,48 2.07,49 46.213,50 1.086,51 1.67,52 1.443,53 1.365,54 192,55 18.902,56 0.049,57 16,58 4.91,59 411.989,60 411.989,61 411.989,62 411.989,63 4.214,64 4.214,65 11.364,66 11.364,67 11.364,68 6.833,69 7.639}
{0 CHEMBL2147460,1 2,2 12,3 0.5,4 31.812,5 447.302,6 14,7 447.302,9 9.48,11 36.022,12 1.115,13 5.566,15 4.115,16 0.093,17 4.066,18 0.88,19 2001,20 17.833,21 400.217,22 1.839,23 1.808,24 2,25 0.752,26 10.525,27 37.383,28 0.83,29 0.315,30 5.474,32 1.698,33 1.042,34 5,35 39857,36 5.142,37 82.467,38 9.564,39 451.857,40 73,41 40,42 9,43 76,44 1.031,45 -0.01,46 35250,47 1.051,48 2.072,49 41.585,50 1.104,51 1.674,52 1.415,53 1.319,54 143,55 18.879,56 0.02,57 12,58 4.922,59 447.302,60 447.302,61 447.302,62 447.302,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.535}
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{0 CHEMBL2147464,1 3,2 12,3 0.5,4 28.969,5 388.446,6 13,7 400.217,9 9.34,11 36.022,12 1.047,13 5.529,15 4.114,16 0.099,17 4.095,18 0.88,19 1824,20 16.517,21 353.133,22 1.874,23 1.835,24 2,25 0.682,26 9.59,27 38.081,28 0.83,29 0.334,30 5.43,32 1.646,33 1.144,34 4,35 31762,36 5.049,37 75.636,38 9.251,39 406.428,40 67,41 36,42 10,43 70,44 1.112,45 0.046,46 32572,47 0.969,48 2.072,49 39.187,50 0.709,51 1.626,52 1.392,53 1.313,54 175,55 18.879,56 0.062,57 14,58 4.839,59 400.217,60 400.217,61 400.217,62 400.217,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.524}
{0 CHEMBL2151784,1 2,2 6,3 1,4 20.147,5 247.193,6 6,7 357.705,8 1,9 7.878,10 1,11 36.022,12 0.755,13 5.527,14 1,15 4.113,16 0.105,17 3.843,18 1,19 1496,20 11.499,21 247.193,22 1.588,23 1.602,24 2,25 0.282,26 6.52,27 29.591,28 1,29 0.344,30 5.141,31 1,32 1.412,33 1.048,34 5,35 30000,36 4.774,37 61.69,38 6.963,39 317.975,40 55,41 25,42 4,43 58,44 1.183,45 0.01,46 35423,47 0.774,48 2.072,49 30.524,50 1.295,51 1.394,52 1.231,53 1.177,54 138,55 18.879,56 0.025,57 6,58 4.613,59 247.193,60 247.193,61 247.193,62 247.193,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 5.638}
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{0 CHEMBL2158116,1 3,2 10,3 1,4 30.358,5 384.411,6 10,7 390.049,9 9.12,11 36.022,12 1.008,13 5.663,15 4.116,16 0.091,17 4.085,18 0.75,19 2522,20 15.367,21 306.049,22 1.786,23 1.753,24 2,25 0.627,26 8.857,27 40.17,28 0.67,29 0.284,30 5.377,32 1.651,33 0.999,34 4,35 63117,36 5.055,37 77.434,38 9.313,39 421.488,40 69,41 33,42 5,43 73,44 1.097,45 0.059,46 53197,47 1.027,48 2.072,49 40.3,50 1.135,51 1.647,52 1.406,53 1.353,54 192,55 18.879,56 0.05,57 6,58 4.868,59 364.904,60 364.904,61 364.904,62 364.904,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 10.35}
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{0 CHEMBL2158118,1 3,2 11,3 0.5,4 32.001,5 407.953,6 11,7 413.591,9 9.617,11 36.022,12 1.064,13 5.715,15 4.116,16 0.088,17 4.162,18 0.63,19 2742,20 16.322,21 306.049,22 1.833,23 1.807,24 2,25 0.702,26 9.407,27 43.09,28 0.67,29 0.277,30 5.429,32 1.652,33 1.015,34 4,35 67149,36 5.1,37 80.849,38 9.813,39 444.235,40 72,41 35,42 6,43 76,44 1.121,45 0.061,46 58240,47 1.067,48 2.072,49 42.507,50 1.12,51 1.653,52 1.409,53 1.364,54 203,55 18.879,56 0.054,57 6,58 4.911,59 388.446,60 388.446,61 388.446,62 388.446,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.83}
{0 CHEMBL2158119,1 3,2 12,3 0.5,4 34.19,5 431.495,6 12,7 448.133,9 10.2,11 36.022,12 1.064,13 5.754,15 4.117,16 0.084,17 4.269,18 0.63,19 3282,20 16.845,21 329.591,22 1.833,23 1.807,24 2,25 0.702,26 9.843,27 49.748,28 0.67,29 0.264,30 5.454,32 1.652,33 0.967,34 4,35 82873,36 5.158,37 85.474,38 10.26,39 474.842,40 76,41 37,42 6,43 80,44 1.096,45 0.058,46 69958,47 1.119,48 2.072,49 43.839,50 1.211,51 1.655,52 1.409,53 1.365,54 254,55 18.879,56 0.05,57 6,58 4.97,59 411.989,60 411.989,61 411.989,62 411.989,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.69}
{0 CHEMBL2158120,1 3,2 11,3 0.5,4 31.543,5 396.182,6 11,7 440.969,9 9.898,11 36.022,12 1.064,13 5.715,15 4.116,16 0.086,17 4.215,18 0.5,19 2986,20 16.058,21 294.278,22 1.833,23 1.807,24 2,25 0.702,26 9.114,27 45.956,28 0.5,29 0.27,30 5.428,32 1.651,33 0.976,34 4,35 74830,36 5.1,37 80.793,38 10.134,39 444.235,40 72,41 34,42 6,43 76,44 1.099,45 0.059,46 69829,47 1.056,48 2.072,49 45.096,50 1.226,51 1.652,52 1.409,53 1.364,54 228,55 18.879,56 0.051,57 6,58 4.916,59 376.675,60 376.675,61 376.675,62 376.675,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.11}
{0 CHEMBL2158121,1 3,2 11,3 0.5,4 32.001,5 407.953,6 11,7 413.591,9 9.607,11 36.022,12 1.071,13 5.715,15 4.116,16 0.088,17 4.163,18 0.63,19 2804,20 16.322,21 329.591,22 1.801,23 1.783,24 2,25 0.635,26 9.407,27 43.28,28 0.67,29 0.277,30 5.431,32 1.703,33 1.015,34 5,35 67069,36 5.1,37 80.849,38 9.789,39 444.235,40 72,41 35,42 6,43 76,44 1.095,45 0.061,46 58252,47 1.067,48 2.072,49 42.526,50 1.12,51 1.683,52 1.447,53 1.375,54 207,55 18.879,56 0.06,57 6,58 4.911,59 388.446,60 388.446,61 388.446,62 388.446,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.22}
{0 CHEMBL2158122,1 3,2 12,3 0.5,4 34.19,5 431.495,6 12,7 448.133,9 10.199,11 36.022,12 1.071,13 5.754,15 4.117,16 0.084,17 4.27,18 0.63,19 3317,20 16.845,21 353.133,22 1.801,23 1.783,24 2,25 0.635,26 9.843,27 49.545,28 0.67,29 0.264,30 5.455,32 1.703,33 0.967,34 5,35 82809,36 5.158,37 85.474,38 10.236,39 474.842,40 76,41 37,42 6,43 80,44 1.071,45 0.058,46 70018,47 1.119,48 2.072,49 43.859,50 1.211,51 1.683,52 1.447,53 1.376,54 257,55 18.879,56 0.056,57 6,58 4.97,59 411.989,60 411.989,61 411.989,62 411.989,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 9.32}
{0 CHEMBL2158123,1 3,2 11,3 0.5,4 31.543,5 396.182,6 11,7 440.969,9 9.892,11 36.022,12 1.071,13 5.715,15 4.116,16 0.086,17 4.216,18 0.5,19 3054,20 16.058,21 317.82,22 1.801,23 1.783,24 2,25 0.635,26 9.114,27 46.125,28 0.5,29 0.27,30 5.43,32 1.703,33 0.976,34 5,35 74758,36 5.1,37 80.793,38 10.11,39 444.235,40 72,41 34,42 6,43 76,44 1.073,45 0.059,46 69889,47 1.056,48 2.072,49 45.135,50 1.226,51 1.683,52 1.447,53 1.375,54 232,55 18.879,56 0.057,57 6,58 4.916,59 376.675,60 376.675,61 376.675,62 376.675,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.38}
{0 CHEMBL2158124,1 3,2 12,3 0.5,4 33.616,5 431.495,6 12,7 437.133,9 10.1,11 36.022,12 1.095,13 5.765,15 4.116,16 0.086,17 4.237,18 0.5,19 3022,20 17.266,21 329.591,22 1.855,23 1.829,24 2,25 0.737,26 9.952,27 46.396,28 0.67,29 0.27,30 5.48,32 1.715,33 1.03,34 5,35 71213,36 5.144,37 84.264,38 10.289,39 467.161,40 75,41 37,42 7,43 79,44 1.118,45 0.062,46 63527,47 1.107,48 2.072,49 44.669,50 1.105,51 1.706,52 1.467,53 1.402,54 218,55 18.879,56 0.063,57 6,58 4.952,59 411.989,60 411.989,61 411.989,62 411.989,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.74}
{0 CHEMBL2158125,1 3,2 13,3 0.5,4 35.783,5 455.037,6 13,7 471.676,9 10.686,11 36.022,12 1.097,13 5.804,15 4.117,16 0.082,17 4.338,18 0.63,19 3598,20 17.78,21 353.133,22 1.855,23 1.829,24 2,25 0.737,26 10.385,27 53.15,28 0.67,29 0.258,30 5.504,32 1.715,33 0.984,34 5,35 87665,36 5.199,37 88.889,38 10.736,39 497.999,40 79,41 39,42 7,43 83,44 1.095,45 0.059,46 75941,47 1.159,48 2.072,49 46.046,50 1.196,51 1.706,52 1.467,53 1.402,54 270,55 18.879,56 0.06,57 6,58 5.008,59 435.531,60 435.531,61 435.531,62 435.531,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.18}
{0 CHEMBL2158126,1 3,2 12,3 0.5,4 33.267,5 419.724,6 12,7 464.511,9 10.383,11 36.022,12 1.094,13 5.765,15 4.116,16 0.084,17 4.287,18 0.5,19 3303,20 17.023,21 317.82,22 1.855,23 1.829,24 2,25 0.737,26 9.668,27 49.495,28 0.5,29 0.264,30 5.479,32 1.714,33 0.992,34 5,35 79256,36 5.143,37 84.208,38 10.61,39 467.161,40 75,41 36,42 7,43 79,44 1.096,45 0.061,46 75810,47 1.095,48 2.072,49 47.442,50 1.211,51 1.705,52 1.467,53 1.402,54 244,55 18.879,56 0.061,57 6,58 4.956,59 400.217,60 400.217,61 400.217,62 400.217,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.34}
{0 CHEMBL2158127,1 3,2 13,3 0.5,4 35.206,5 455.037,6 13,7 460.676,9 10.612,11 36.022,12 1.095,13 5.763,15 4.117,16 0.084,17 4.307,18 0.5,19 3220,20 18.199,21 353.133,22 1.889,23 1.874,24 2,25 0.753,26 10.494,27 49.473,28 0.67,29 0.264,30 5.527,32 1.672,33 1.044,34 4,35 75556,36 5.186,37 87.679,38 10.813,39 490.261,40 78,41 39,42 8,43 82,44 1.085,45 0.063,46 69062,47 1.146,48 2.072,49 46.75,50 1.09,51 1.672,52 1.437,53 1.39,54 226,55 18.879,56 0.06,57 10,58 4.991,59 435.531,60 435.531,61 435.531,62 435.531,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.33}
{0 CHEMBL2158128,1 3,2 14,3 0.5,4 37.354,5 478.58,6 14,7 495.218,9 11.185,11 36.022,12 1.097,13 5.803,15 4.117,16 0.081,17 4.403,18 0.63,19 3810,20 18.706,21 376.675,22 1.889,23 1.874,24 2,25 0.753,26 10.923,27 56.803,28 0.67,29 0.252,30 5.549,32 1.672,33 0.999,34 4,35 92712,36 5.239,37 92.304,38 11.26,39 521.319,40 82,41 41,42 8,43 86,44 1.064,45 0.061,46 82092,47 1.198,48 2.072,49 48.167,50 1.182,51 1.674,52 1.437,53 1.39,54 279,55 18.879,56 0.057,57 10,58 5.045,59 459.073,60 459.073,61 459.073,62 459.073,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.23}
{0 CHEMBL2163791,3 1,4 10.718,5 129.482,6 4,7 172.165,8 1,9 3.374,10 1,12 0.177,13 4.47,14 1,15 4.021,16 0.226,17 2.526,18 1,19 100,20 5.473,21 105.94,22 1.099,23 1.055,26 3.156,27 5.714,28 0.67,29 0.649,30 4.436,32 0.809,33 0.95,34 1,35 3355,36 4.125,37 29.282,38 3.508,39 122.211,40 26,41 12,42 2,43 28,44 1.271,45 -0.104,46 3117,47 0.393,48 1.941,49 15.092,50 1.264,51 0.78,52 0.505,53 0.405,54 19,55 17.179,56 -0.107,58 3.954,59 129.482,60 129.482,61 129.482,62 129.482,63 4.081,64 4.081,65 10.388,66 10.388,67 10.388,68 6.558,69 5.597}
{0 CHEMBL2163792,3 1,4 10.706,5 141.253,6 4,7 141.253,8 1,9 3.197,10 1,12 0.182,13 4.324,15 4.018,16 0.232,17 2.427,18 1,19 82,20 5.689,21 117.711,22 1.109,23 1.043,26 3.262,27 4.899,28 0.67,29 0.657,30 4.389,32 0.808,33 0.947,35 2788,36 4.105,37 28.073,38 3.339,39 116.096,40 25,41 12,42 2,43 27,44 1.34,45 -0.086,46 2158,47 0.379,48 1.941,49 14.072,50 0.89,51 0.777,52 0.505,53 0.405,54 14,55 16.568,56 -0.084,58 3.913,59 141.253,60 141.253,61 141.253,62 141.253,63 4.009,64 4.009,65 9.85,66 9.85,67 9.85,68 6.365,69 4.923}
{0 CHEMBL2163793,2 3,3 1,4 22.199,5 270.735,6 10,7 306.88,8 1,9 4.398,10 1,11 16.786,12 0.786,13 5.217,14 1,15 4.195,16 0.149,17 2.886,18 0.88,19 786,20 12.091,21 235.422,22 1.6,23 1.591,25 0.456,26 6.614,27 15.853,28 1,29 0.575,30 5.14,31 1,32 1.457,33 0.86,34 4,35 46449,36 4.795,37 54.983,38 7.322,39 275.121,40 49,41 24,42 4,43 53,44 0.99,45 -0.086,46 12007,47 0.702,48 2.001,49 30.744,50 1.592,51 1.444,52 1.198,53 1.125,54 67,55 25.425,56 -0.025,57 7,58 4.621,59 270.735,60 270.735,61 270.735,62 270.735,63 4.797,64 4.797,65 16.665,66 16.665,67 16.665,68 8.318,69 5.287}
{0 CHEMBL2163794,2 3,3 1,4 34.242,5 423.76,6 12,7 564.363,9 6.91,12 0.898,13 5.486,15 4.103,16 0.071,17 3.537,18 0.75,19 2865,20 17.123,21 337.732,22 1.735,23 1.758,25 0.798,26 10.109,27 29.007,28 0.5,29 0.237,30 5.525,32 1.713,33 0.788,34 1,35 955323,36 5.251,37 92.936,38 10.642,39 529.128,40 83,41 38,42 6,43 89,44 1.059,45 -0.066,46 74375,47 1.12,48 2.02,49 45.273,50 1.429,51 1.72,52 1.493,53 1.442,54 153,55 19.685,56 -0.07,58 5.092,59 423.76,60 423.76,61 423.76,62 423.76,63 4.299,64 4.299,65 12.097,66 12.097,67 12.097,68 7.034,69 5.387}
{0 CHEMBL2165578,3 1,4 10.753,5 117.711,6 4,7 172.165,8 1,9 3.226,10 1,12 0.18,13 4.47,14 1,15 4.022,16 0.229,17 2.418,18 1,19 110,20 5.541,21 105.94,22 1.103,23 1.047,26 3.156,27 5.449,28 0.67,29 0.69,30 4.441,32 0.851,33 0.968,34 1,35 3271,36 4.125,37 29.282,38 3.566,39 122.211,40 26,41 12,42 2,43 28,44 1.209,45 -0.064,46 2925,47 0.393,48 1.937,49 14.973,50 1.264,51 0.846,52 0.525,53 0.458,54 17,55 18.579,56 -0.007,58 3.955,59 129.482,60 129.482,61 129.482,62 129.482,63 4.154,64 4.154,65 11.044,66 11.044,67 11.044,68 6.771,69 4.943}
{0 CHEMBL2165597,3 1,4 23.762,5 270.735,6 12,7 270.735,8 1,9 4.594,10 1,11 34.796,12 0.867,13 5.293,14 1,15 4.193,16 0.131,17 3.033,18 0.88,19 578,20 13.316,21 176.567,22 1.507,23 1.501,24 1,25 0.429,26 6.981,27 14.333,28 0.67,29 0.456,30 5.298,31 1,32 1.369,33 1.043,34 6,35 72809,36 4.841,37 54.062,38 7.705,39 268.078,40 48,41 25,42 8,43 53,44 0.924,45 -0.015,46 9021,47 0.743,48 2.038,49 35.469,50 0.988,51 1.35,52 1.098,53 1.017,54 57,55 20.772,56 -0.013,57 4,58 4.654,59 270.735,60 270.735,61 270.735,62 270.735,63 4.432,64 4.432,65 12.772,66 12.772,67 12.772,68 7.212,69 4.973}
{0 CHEMBL2169901,1 2,2 22,3 0.5,4 42.126,5 565.013,6 19,7 674.123,9 14.352,11 36.022,12 1.14,13 5.953,15 4.118,16 0.093,17 4.783,18 0.5,19 6280,20 22.365,21 470.844,22 1.949,23 1.902,24 2,25 0.921,26 13.116,27 92.087,28 0.33,29 0.227,30 5.748,32 1.853,33 1.133,34 5,35 98982,36 5.399,37 109.799,38 13.505,39 640.192,40 97,41 50,42 14,43 100,44 1.129,45 0.055,46 143936,47 1.336,48 2.072,49 56.514,50 1.136,51 1.854,52 1.631,53 1.569,54 413,55 18.879,56 0.084,57 18,58 5.212,59 565.013,60 565.013,61 565.013,62 565.013,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.721}
{0 CHEMBL2171308,1 2,2 11,3 0.5,4 29.282,5 388.446,6 11,7 435.591,9 9.452,11 36.022,12 1.084,13 5.736,15 4.115,16 0.091,17 4.138,18 0.75,19 2310,20 15.596,21 341.362,22 1.886,23 1.83,24 2,25 0.619,26 9.244,27 39.943,28 0.67,29 0.299,30 5.363,32 1.655,33 1.008,34 5,35 45744,36 5.058,37 78.766,38 9.124,39 429.05,40 70,41 35,42 6,43 73,44 1.227,45 0.065,46 48254,47 0.968,48 2.072,49 39.038,50 1.206,51 1.663,52 1.456,53 1.415,54 206,55 18.879,56 0.088,57 9,58 4.873,59 388.446,60 388.446,61 388.446,62 388.446,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.395}
{0 CHEMBL2171309,1 2,2 11,3 0.5,4 28.777,5 376.675,6 11,7 455.503,9 10.101,11 36.022,12 1.059,13 5.633,15 4.115,16 0.091,17 4.202,18 0.75,19 2373,20 15.936,21 329.591,22 1.788,23 1.784,24 2,25 0.62,26 9.257,27 41.84,28 0.67,29 0.299,30 5.397,32 1.628,33 1.06,34 6,35 43845,36 5.05,37 78.766,38 9.251,39 429.05,40 70,41 35,42 8,43 73,44 1.134,45 0.027,46 54482,47 0.97,48 2.072,49 39.89,50 1.206,51 1.622,52 1.422,53 1.367,54 180,55 18.879,56 0.054,57 10,58 4.866,59 376.675,60 376.675,61 376.675,62 376.675,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.58}
{0 CHEMBL2171311,1 2,2 14,3 0.5,4 29.787,5 376.675,6 11,7 485.786,9 10.702,11 36.022,12 1.046,13 5.823,15 4.115,16 0.111,17 4.347,18 0.63,19 3403,20 15.124,21 329.591,22 1.821,23 1.838,24 2,25 0.631,26 8.897,27 57.302,28 0.5,29 0.27,30 5.395,32 1.678,33 1.029,34 3,35 62132,36 5.093,37 82.478,38 9.511,39 451.857,40 73,41 34,42 6,43 76,44 1.231,45 0.067,46 85776,47 1.029,48 2.072,49 40.071,50 1.252,51 1.762,52 1.42,53 1.373,54 272,55 18.879,56 0.082,57 6,58 4.929,59 376.675,60 376.675,61 376.675,62 376.675,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.119}
{0 CHEMBL2171312,1 2,2 16,3 0.5,4 32.989,5 423.76,6 13,7 532.87,9 11.515,11 36.022,12 1.048,13 5.864,15 4.116,16 0.106,17 4.46,18 0.63,19 4065,20 16.981,21 376.675,22 1.823,23 1.842,24 2,25 0.644,26 9.968,27 66.938,28 0.5,29 0.258,30 5.496,32 1.763,33 1.061,34 3,35 71251,36 5.179,37 89.308,38 10.511,39 497.999,40 79,41 38,42 8,43 82,44 1.178,45 0.067,46 97518,47 1.106,48 2.072,49 44.453,50 1.221,51 1.831,52 1.467,53 1.413,54 317,55 18.879,56 0.086,57 10,58 5.008,59 423.76,60 423.76,61 423.76,62 423.76,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.662}
{0 CHEMBL2171313,1 2,2 13,3 0.5,4 28.148,5 353.133,6 10,7 462.243,9 10.419,11 36.022,12 0.963,13 5.776,15 4.115,16 0.114,17 4.298,18 0.63,19 3040,20 14.18,21 329.591,22 1.733,23 1.809,24 2,25 0.617,26 8.358,27 51.053,28 0.5,29 0.277,30 5.34,32 1.658,33 1.012,34 5,35 57335,36 5.048,37 79.062,38 9.011,39 429.05,40 70,41 32,42 5,43 73,44 1.237,45 0.078,46 81317,47 0.99,48 2.072,49 37.871,50 1.267,51 1.678,52 1.431,53 1.391,54 240,55 18.879,56 0.08,57 6,58 4.887,59 353.133,60 353.133,61 353.133,62 353.133,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.604}
{0 CHEMBL2171314,1 2,2 14,3 0.5,4 29.787,5 376.675,6 11,7 485.786,9 10.795,11 36.022,12 1.09,13 5.823,15 4.115,16 0.111,17 4.355,18 0.63,19 3363,20 15.124,21 329.591,22 1.85,23 1.858,24 2,25 0.619,26 8.897,27 55.799,28 0.5,29 0.27,30 5.395,32 1.665,33 1.029,34 5,35 61620,36 5.093,37 82.478,38 9.505,39 451.857,40 73,41 34,42 6,43 76,44 1.243,45 0.058,46 86700,47 1.029,48 2.072,49 40.043,50 1.252,51 1.71,52 1.457,53 1.419,54 263,55 18.879,56 0.079,57 6,58 4.929,59 376.675,60 376.675,61 376.675,62 376.675,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.752}
{0 CHEMBL2171315,1 2,2 15,3 0.5,4 31.4,5 400.217,6 12,7 509.328,9 11.183,11 36.022,12 1.1,13 5.87,15 4.116,16 0.109,17 4.411,18 0.63,19 3696,20 16.058,21 329.591,22 1.897,23 1.881,24 2,25 0.668,26 9.434,27 60.8,28 0.5,29 0.264,30 5.446,32 1.686,33 1.046,34 5,35 66088,36 5.137,37 85.893,38 10.005,39 474.842,40 76,41 36,42 7,43 79,44 1.24,45 0.058,46 92359,47 1.067,48 2.072,49 42.262,50 1.236,51 1.767,52 1.464,53 1.426,54 286,55 18.879,56 0.082,57 6,58 4.969,59 400.217,60 400.217,61 400.217,62 400.217,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.208}
{0 CHEMBL2171316,1 2,2 17,3 0.5,4 34.557,5 447.302,6 14,7 556.412,9 11.986,11 36.022,12 1.109,13 5.909,15 4.116,16 0.104,17 4.519,18 0.63,19 4388,20 17.896,21 376.675,22 1.899,23 1.886,24 2,25 0.676,26 10.498,27 70.975,28 0.5,29 0.252,30 5.542,32 1.766,33 1.075,34 5,35 75577,36 5.219,37 92.723,38 11.005,39 521.319,40 82,41 40,42 9,43 85,44 1.188,45 0.058,46 104521,47 1.144,48 2.072,49 46.537,50 1.206,51 1.841,52 1.487,53 1.445,54 332,55 18.879,56 0.084,57 10,58 5.045,59 447.302,60 447.302,61 447.302,62 447.302,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.714}
{0 CHEMBL2171317,1 2,2 14,3 0.5,4 29.787,5 376.675,6 11,7 485.786,9 10.911,11 36.022,12 0.964,13 5.769,15 4.115,16 0.111,17 4.365,18 0.63,19 3304,20 15.124,21 329.591,22 1.735,23 1.811,24 2,25 0.627,26 8.897,27 54.341,28 0.5,29 0.27,30 5.395,32 1.697,33 1.029,34 5,35 61038,36 5.093,37 82.478,38 9.511,39 451.857,40 73,41 34,42 6,43 76,44 1.214,45 0.078,46 87768,47 1.029,48 2.072,49 40.154,50 1.252,51 1.716,52 1.449,53 1.406,54 253,55 18.879,56 0.083,57 6,58 4.929,59 376.675,60 376.675,61 376.675,62 376.675,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.695}
{0 CHEMBL2171318,1 2,2 15,3 0.5,4 31.4,5 400.217,6 12,7 509.328,9 11.282,11 36.022,12 1.091,13 5.817,15 4.116,16 0.109,17 4.42,18 0.63,19 3622,20 16.058,21 329.591,22 1.851,23 1.862,24 2,25 0.63,26 9.434,27 59.278,28 0.5,29 0.264,30 5.446,32 1.701,33 1.046,34 5,35 65505,36 5.137,37 85.893,38 10.005,39 474.842,40 76,41 36,42 7,43 79,44 1.221,45 0.058,46 93355,47 1.067,48 2.072,49 42.262,50 1.236,51 1.73,52 1.487,53 1.448,54 276,55 18.879,56 0.082,57 6,58 4.969,59 400.217,60 400.217,61 400.217,62 400.217,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.627}
{0 CHEMBL2171319,1 2,2 16,3 0.5,4 32.989,5 423.76,6 13,7 532.87,9 11.665,11 36.022,12 1.102,13 5.864,15 4.116,16 0.106,17 4.473,18 0.63,19 3990,20 16.981,21 329.591,22 1.919,23 1.897,24 2,25 0.723,26 9.968,27 64.569,28 0.5,29 0.258,30 5.495,32 1.708,33 1.061,34 5,35 70157,36 5.179,37 89.308,38 10.505,39 497.999,40 79,41 38,42 8,43 82,44 1.219,45 0.058,46 99222,47 1.106,48 2.072,49 44.425,50 1.221,51 1.771,52 1.494,53 1.457,54 300,55 18.879,56 0.083,57 6,58 5.008,59 423.76,60 423.76,61 423.76,62 423.76,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.328}
{0 CHEMBL2171320,1 2,2 18,3 0.5,4 36.105,5 470.844,6 15,7 579.954,9 12.459,11 36.022,12 1.11,13 5.906,15 4.117,16 0.102,17 4.576,18 0.63,19 4755,20 18.804,21 376.675,22 1.943,23 1.901,24 2,25 0.749,26 11.026,27 75.107,28 0.5,29 0.247,30 5.587,32 1.767,33 1.088,34 5,35 80020,36 5.258,37 96.138,38 11.505,39 544.798,40 85,41 42,42 10,43 88,44 1.172,45 0.057,46 111812,47 1.183,48 2.072,49 48.605,50 1.191,51 1.844,52 1.508,53 1.47,54 348,55 18.879,56 0.085,57 10,58 5.08,59 470.844,60 470.844,61 470.844,62 470.844,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.932}
{0 CHEMBL2171321,1 2,2 16,3 0.5,4 32.989,5 423.76,6 13,7 532.87,9 11.89,11 36.022,12 1.061,13 5.788,15 4.116,16 0.106,17 4.488,18 0.63,19 3872,20 16.981,21 376.675,22 1.79,23 1.816,24 2,25 0.703,26 9.968,27 61.523,28 0.5,29 0.258,30 5.496,32 1.778,33 1.061,34 5,35 68775,36 5.179,37 89.308,38 10.511,39 497.999,40 79,41 38,42 8,43 82,44 1.175,45 0.076,46 101502,47 1.106,48 2.072,49 44.535,50 1.221,51 1.785,52 1.482,53 1.432,54 280,55 18.879,56 0.087,57 10,58 5.008,59 423.76,60 423.76,61 423.76,62 423.76,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.284}
{0 CHEMBL2171322,1 2,2 17,3 0.5,4 34.557,5 447.302,6 14,7 556.412,9 12.254,11 36.022,12 1.094,13 5.836,15 4.116,16 0.104,17 4.54,18 0.63,19 4220,20 17.896,21 376.675,22 1.852,23 1.864,24 2,25 0.704,26 10.498,27 66.594,28 0.5,29 0.252,30 5.542,32 1.782,33 1.075,34 5,35 73612,36 5.219,37 92.723,38 11.005,39 521.319,40 82,41 40,42 9,43 85,44 1.184,45 0.058,46 107509,47 1.144,48 2.072,49 46.537,50 1.206,51 1.788,52 1.549,53 1.494,54 304,55 18.879,56 0.084,57 10,58 5.045,59 447.302,60 447.302,61 447.302,62 447.302,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.252}
{0 CHEMBL2171323,1 2,2 18,3 0.5,4 36.105,5 470.844,6 15,7 579.954,9 12.629,11 36.022,12 1.104,13 5.883,15 4.117,16 0.102,17 4.589,18 0.63,19 4620,20 18.804,21 376.675,22 1.921,23 1.901,24 2,25 0.728,26 11.026,27 72.24,28 0.5,29 0.247,30 5.587,32 1.784,33 1.088,34 5,35 78638,36 5.258,37 96.138,38 11.505,39 544.798,40 85,41 42,42 10,43 88,44 1.184,45 0.057,46 113804,47 1.183,48 2.072,49 48.605,50 1.191,51 1.795,52 1.557,53 1.506,54 329,55 18.879,56 0.085,57 10,58 5.08,59 470.844,60 470.844,61 470.844,62 470.844,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.854}
{0 CHEMBL2171324,1 2,2 20,3 0.5,4 39.147,5 517.928,6 17,7 627.039,9 13.405,11 36.022,12 1.112,13 5.928,15 4.117,16 0.097,17 4.683,18 0.63,19 5494,20 20.597,21 423.76,22 1.949,23 1.902,24 2,25 0.761,26 12.076,27 83.517,28 0.5,29 0.236,30 5.671,32 1.79,33 1.112,34 5,35 89261,36 5.331,37 102.969,38 12.505,39 592.209,40 91,41 46,42 12,43 94,44 1.143,45 0.056,46 127274,47 1.26,48 2.072,49 52.625,50 1.163,51 1.848,52 1.561,53 1.513,54 380,55 18.879,56 0.085,57 14,58 5.148,59 517.928,60 517.928,61 517.928,62 517.928,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.699}
{0 CHEMBL2171325,1 2,2 18,3 0.5,4 36.105,5 470.844,6 15,7 579.954,9 12.865,11 36.022,12 1.112,13 5.812,15 4.117,16 0.102,17 4.603,18 0.63,19 4522,20 18.804,21 423.76,22 1.883,23 1.855,24 2,25 0.756,26 11.026,27 68.965,28 0.5,29 0.247,30 5.587,32 1.808,33 1.088,34 5,35 76960,36 5.258,37 96.138,38 11.511,39 544.798,40 85,41 42,42 10,43 88,44 1.154,45 0.074,46 116372,47 1.183,48 2.072,49 48.715,50 1.191,51 1.838,52 1.514,53 1.473,54 309,55 18.879,56 0.088,57 14,58 5.08,59 470.844,60 470.844,61 470.844,62 470.844,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.796}
{0 CHEMBL2171326,1 2,2 19,3 0.5,4 37.635,5 494.386,6 16,7 603.497,9 13.222,11 36.022,12 1.14,13 5.86,15 4.117,16 0.099,17 4.649,18 0.63,19 4902,20 19.703,21 423.76,22 1.884,23 1.87,24 2,25 0.756,26 11.552,27 74.291,28 0.5,29 0.241,30 5.63,32 1.846,33 1.1,34 5,35 82175,36 5.295,37 99.554,38 12.005,39 568.43,40 88,41 44,42 11,43 91,44 1.163,45 0.057,46 122815,47 1.221,48 2.072,49 50.633,50 1.177,51 1.839,52 1.596,53 1.54,54 334,55 18.879,56 0.085,57 14,58 5.115,59 494.386,60 494.386,61 494.386,62 494.386,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 9}
{0 CHEMBL2171327,1 2,2 20,3 0.5,4 39.147,5 517.928,6 17,7 627.039,9 13.59,11 36.022,12 1.14,13 5.906,15 4.117,16 0.097,17 4.695,18 0.63,19 5336,20 20.597,21 423.76,22 1.922,23 1.902,24 2,25 0.756,26 12.076,27 80.109,28 0.5,29 0.236,30 5.671,32 1.851,33 1.112,34 5,35 87583,36 5.331,37 102.969,38 12.505,39 592.209,40 91,41 46,42 12,43 94,44 1.164,45 0.056,46 129554,47 1.26,48 2.072,49 52.625,50 1.163,51 1.841,52 1.629,53 1.565,54 360,55 18.879,56 0.085,57 14,58 5.148,59 517.928,60 517.928,61 517.928,62 517.928,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.745}
{0 CHEMBL2171328,1 2,2 7,3 1,4 21.309,5 282.506,6 10,7 282.506,8 1,9 5.663,10 1,11 18.011,12 0.759,13 5.084,14 1,15 4.112,16 0.14,17 3.374,18 1,19 744,20 12.375,21 235.422,22 1.515,23 1.501,24 1,25 0.282,26 7.098,27 19.24,28 1,29 0.473,30 5.126,31 1,32 1.381,33 1.141,34 4,35 10044,36 4.741,37 55.477,38 6.93,39 275.121,40 49,41 27,42 8,43 51,44 1.158,45 0.08,46 8715,47 0.712,48 2.072,49 28.625,50 1.023,51 1.353,52 1.137,53 1.061,54 104,55 18.879,56 0.108,57 10,58 4.528,59 282.506,60 282.506,61 282.506,62 282.506,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.69}
{0 CHEMBL2171329,2 8,3 1,4 11.453,5 141.253,6 3,7 293.047,8 1,9 6,10 1,12 0.158,13 4.718,14 1,15 3.952,16 0.234,17 3.477,18 1,19 556,20 4.752,21 141.253,22 1.148,23 1.488,26 3.144,27 20.38,28 1,29 0.458,30 4.313,31 1,32 1.101,33 0.916,34 1,35 2121,36 4.181,37 37.455,38 3.773,39 166.465,40 33,41 13,43 33,44 1.221,45 0.091,46 17625,47 0.41,48 1.909,49 13.058,50 1.5,51 1.133,52 0.846,53 0.819,54 68,55 15.453,56 0.002,58 4.08,59 141.253,60 141.253,61 141.253,62 141.253,63 3.859,64 3.859,65 9.17,66 9.17,67 9.17,68 6.172,69 5}
{0 CHEMBL2171330,2 9,3 1,4 13.182,5 164.795,6 4,7 316.589,8 1,9 6.425,10 1,12 0.445,13 4.816,14 1,15 3.953,16 0.223,17 3.587,18 1,19 666,20 5.697,21 141.253,22 1.315,23 1.509,26 3.677,27 22.653,28 1,29 0.437,30 4.457,31 1,32 1.187,33 0.972,34 1,35 2454,36 4.287,37 40.871,38 4.267,39 186.117,40 36,41 15,42 1,43 36,44 1.245,45 0.031,46 19874,47 0.448,48 1.91,49 15.717,50 1.475,51 1.211,52 0.879,53 0.858,54 79,55 15.453,56 0.018,58 4.171,59 164.795,60 164.795,61 164.795,62 164.795,63 3.859,64 3.859,65 9.17,66 9.17,67 9.17,68 6.172,69 5}
{0 CHEMBL2171331,2 10,3 1,4 14.866,5 188.338,6 5,7 340.131,8 1,9 6.858,10 1,12 0.547,13 4.907,14 1,15 3.954,16 0.212,17 3.69,18 1,19 780,20 6.623,21 141.253,22 1.485,23 1.512,26 4.206,27 25.223,28 0.83,29 0.417,30 4.584,31 1,32 1.358,33 1.017,34 1,35 2820,36 4.382,37 44.286,38 4.767,39 206.131,40 39,41 17,42 2,43 39,44 1.237,45 0.032,46 22291,47 0.486,48 1.91,49 18.278,50 1.449,51 1.367,52 0.999,53 0.958,54 90,55 15.453,56 0.035,58 4.255,59 188.338,60 188.338,61 188.338,62 188.338,63 3.859,64 3.859,65 9.17,66 9.17,67 9.17,68 6.172,69 5}
{0 CHEMBL2171332,2 12,3 0.5,4 18.111,5 235.422,6 7,7 387.216,8 1,9 7.741,10 1,12 0.593,13 4.986,14 1,15 3.955,16 0.195,17 3.875,18 0.88,19 1016,20 8.43,21 188.338,22 1.542,23 1.566,25 0.158,26 5.253,27 30.222,28 0.83,29 0.382,30 4.798,31 1,32 1.508,33 1.086,34 1,35 3655,36 4.55,37 51.116,38 5.767,39 247.133,40 45,41 21,42 4,43 45,44 1.122,45 0.031,46 27645,47 0.563,48 1.911,49 22.951,50 1.397,51 1.495,52 1.162,53 1.115,54 112,55 15.453,56 0.05,57 4,58 4.404,59 235.422,60 235.422,61 235.422,62 235.422,63 3.859,64 3.859,65 9.17,66 9.17,67 9.17,68 6.172,69 5}
{0 CHEMBL2171333,1 2,2 12,3 0.5,4 26.482,5 329.591,6 9,7 438.701,9 9.928,11 36.022,12 0.963,13 5.726,15 4.115,16 0.117,17 4.227,18 0.63,19 2814,20 13.224,21 329.591,22 1.729,23 1.803,24 2,25 0.605,26 7.814,27 48.058,28 0.5,29 0.284,30 5.283,32 1.62,33 0.993,34 3,35 53741,36 5,37 75.647,38 8.516,39 406.428,40 67,41 30,42 4,43 70,44 1.229,45 0.089,46 75138,47 0.952,48 2.072,49 35.543,50 1.283,51 1.637,52 1.401,53 1.356,54 228,55 18.879,56 0.079,57 6,58 4.844,59 329.591,60 329.591,61 329.591,62 329.591,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.979}
{0 CHEMBL2171334,1 2,2 13,3 0.5,4 28.148,5 353.133,6 10,7 462.243,9 10.309,11 36.022,12 1.045,13 5.776,15 4.115,16 0.114,17 4.288,18 0.63,19 3104,20 14.18,21 329.591,22 1.818,23 1.833,24 2,25 0.606,26 8.358,27 52.704,28 0.5,29 0.277,30 5.341,32 1.635,33 1.012,34 3,35 57846,36 5.048,37 79.062,38 9.011,39 429.05,40 70,41 32,42 5,43 73,44 1.234,45 0.067,46 80321,47 0.99,48 2.072,49 37.788,50 1.267,51 1.699,52 1.415,53 1.368,54 250,55 18.879,56 0.079,57 6,58 4.887,59 353.133,60 353.133,61 353.133,62 353.133,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.076}
{0 CHEMBL2204447,1 2,2 17,4 44.937,5 529.7,6 18,7 830.867,9 14.522,11 36.022,12 1.155,13 6.44,15 4.13,16 0.056,17 4.773,18 0.38,19 13462,20 23.602,21 482.615,22 1.949,23 1.921,24 2,25 1.034,26 13.383,27 130.768,28 0.17,29 0.165,30 5.912,32 1.902,33 1.018,34 10,35 785667,36 5.545,37 127.973,38 15.806,39 778.949,40 114,41 51,42 14,43 121,44 1.05,45 0.015,46 306441,47 1.538,48 2.072,49 68.952,50 1.397,51 1.873,52 1.754,53 1.707,54 509,55 19.205,56 0.043,57 10,58 5.406,59 529.7,60 529.7,61 529.7,62 529.7,63 4.268,64 4.268,65 11.551,66 11.551,67 11.551,68 6.925,69 7.302}
{0 CHEMBL2204448,1 2,2 11,3 0.5,4 25.566,5 329.591,6 12,7 422.564,8 1,9 8.4,10 1,11 36.022,12 1.044,13 5.34,14 1,15 4.113,16 0.117,17 3.949,18 0.88,19 1522,20 14.261,21 282.506,22 1.754,23 1.724,24 2,25 0.589,26 8.1,27 33.153,28 0.83,29 0.366,30 5.316,31 1,32 1.503,33 1.168,34 6,35 19408,36 4.926,37 67.936,38 8.568,39 354.413,40 60,41 31,42 10,43 62,44 1.162,45 0.067,46 31890,47 0.85,48 2.072,49 36.589,50 1.233,51 1.511,52 1.275,53 1.219,54 154,55 18.879,56 0.071,57 10,58 4.731,59 329.591,60 329.591,61 329.591,62 329.591,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 6.441}
{0 CHEMBL2205573,2 5,3 1,4 12.46,5 176.567,6 1,7 261.398,8 1,9 7.805,10 1,12 0.628,13 5.306,14 1,15 4.038,16 0.118,17 3.866,18 1,19 1337,20 7.312,21 215.069,22 1.494,23 1.487,25 0.187,26 4.544,27 30.942,28 1,29 0.316,30 4.836,31 1,32 1.295,33 0.957,35 25616,36 4.528,37 50.995,38 5.384,39 254.084,40 46,41 17,43 49,44 0.995,45 -0.179,46 37325,47 0.617,48 1.972,49 19.365,50 1.314,51 1.281,52 1.092,53 1.043,54 117,55 16.891,56 -0.126,58 4.414,59 200.109,60 200.109,61 200.109,62 200.109,63 4.076,64 4.076,65 10.104,66 10.104,67 10.104,68 6.489,69 6.072}
{0 CHEMBL2205574,2 5,3 1,4 12.46,5 176.567,6 1,7 261.398,8 1,9 7.958,10 1,12 0.614,13 5.132,14 1,15 4.037,16 0.118,17 3.909,18 1,19 1367,20 7.312,21 215.069,22 1.483,23 1.484,25 0.218,26 4.544,27 32.083,28 1,29 0.316,30 4.837,31 1,32 1.286,33 0.957,35 25616,36 4.528,37 50.995,38 5.382,39 254.084,40 46,41 17,43 49,44 1.026,45 -0.174,46 38637,47 0.617,48 1.973,49 19.449,50 1.314,51 1.283,52 1.081,53 1.036,54 140,55 16.891,56 -0.149,58 4.414,59 200.109,60 200.109,61 200.109,62 200.109,63 4.076,64 4.076,65 10.104,66 10.104,67 10.104,68 6.489,69 6.041}
{0 CHEMBL2205575,2 6,3 1,4 15.09,5 200.109,6 2,7 295.941,8 1,9 8.165,10 1,12 0.632,13 5.349,14 1,15 4.041,16 0.112,17 3.938,18 1,19 1619,20 8.024,21 238.611,22 1.574,23 1.541,25 0.218,26 5.035,27 35.359,28 1,29 0.311,30 4.88,31 1,32 1.471,33 0.867,35 31763,36 4.629,37 55.62,38 5.833,39 282.193,40 50,41 19,43 53,44 1.074,45 -0.171,46 44643,47 0.681,48 1.971,49 20.38,50 1.383,51 1.465,52 1.19,53 1.121,54 136,55 17.45,56 -0.12,58 4.509,59 223.651,60 223.651,61 223.651,62 223.651,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 6.483}
{0 CHEMBL2205576,2 6,3 1,4 15.09,5 200.109,6 2,7 295.941,8 1,9 8.236,10 1,12 0.625,13 5.349,14 1,15 4.04,16 0.112,17 3.955,18 1,19 1636,20 8.024,21 238.611,22 1.573,23 1.541,25 0.218,26 5.035,27 35.996,28 1,29 0.311,30 4.88,31 1,32 1.47,33 0.867,35 31763,36 4.629,37 55.62,38 5.832,39 282.193,40 50,41 19,43 53,44 1.061,45 -0.167,46 45363,47 0.681,48 1.972,49 20.465,50 1.383,51 1.465,52 1.19,53 1.121,54 138,55 17.45,56 -0.142,58 4.509,59 223.651,60 223.651,61 223.651,62 223.651,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 5.678}
{0 CHEMBL2205577,2 6,3 1,4 15.09,5 200.109,6 2,7 295.941,8 1,9 8.311,10 1,12 0.619,13 5.189,14 1,15 4.04,16 0.112,17 3.978,18 1,19 1653,20 8.024,21 238.611,22 1.573,23 1.54,25 0.218,26 5.035,27 36.633,28 1,29 0.311,30 4.88,31 1,32 1.469,33 0.867,35 31763,36 4.629,37 55.62,38 5.832,39 282.193,40 50,41 19,43 53,44 1.1,45 -0.167,46 46083,47 0.681,48 1.972,49 20.465,50 1.383,51 1.465,52 1.19,53 1.121,54 161,55 17.45,56 -0.142,58 4.509,59 223.651,60 223.651,61 223.651,62 223.651,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 6.031}
{0 CHEMBL2206118,2 7,3 1,4 13.948,5 188.338,6 2,7 334.916,8 1,9 8.622,12 0.632,13 5.378,14 1,15 4.066,16 0.103,17 3.999,18 0.88,19 2012,20 7.531,21 226.84,22 1.574,23 1.551,25 0.218,26 4.712,27 38.941,28 0.83,29 0.286,30 4.919,31 1,32 1.536,33 0.858,35 43032,36 4.667,37 58.122,38 6.112,39 296.423,40 52,41 18,43 55,44 1.097,45 -0.18,46 64998,47 0.752,48 1.98,49 18.797,50 1.484,51 1.529,52 1.193,53 1.161,54 150,55 17.483,56 -0.113,58 4.561,59 211.88,60 211.88,61 211.88,62 211.88,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.617,69 6.164}
{0 CHEMBL2206119,2 6,3 1,4 14.829,5 200.109,6 2,7 335.089,8 1,9 8.165,10 1,12 0.632,13 5.349,15 4.04,16 0.112,17 3.938,18 1,19 1619,20 8.004,21 223.651,22 1.574,23 1.541,25 0.218,26 4.964,27 35.359,28 1,29 0.311,30 4.867,32 1.471,33 0.833,35 31763,36 4.621,37 55.224,38 5.964,39 282.193,40 50,41 19,43 53,44 1.081,45 -0.136,46 44643,47 0.596,48 1.972,49 21.263,50 1.383,51 1.465,52 1.19,53 1.121,54 136,55 17.45,56 -0.108,58 4.505,59 223.651,60 223.651,61 223.651,62 223.651,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 6.903}
{0 CHEMBL2206120,2 6,3 1,4 14.829,5 200.109,6 2,7 335.089,8 1,9 8.236,10 1,12 0.628,13 5.349,15 4.04,16 0.112,17 3.955,18 1,19 1636,20 8.004,21 223.651,22 1.573,23 1.54,25 0.218,26 4.964,27 35.996,28 1,29 0.311,30 4.867,32 1.469,33 0.833,35 31763,36 4.621,37 55.224,38 5.963,39 282.193,40 50,41 19,43 53,44 1.024,45 -0.188,46 45363,47 0.596,48 1.973,49 21.833,50 1.383,51 1.464,52 1.19,53 1.121,54 138,55 17.45,56 -0.155,58 4.505,59 223.651,60 223.651,61 223.651,62 223.651,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 6.252}
{0 CHEMBL2206121,2 6,3 1,4 13.259,5 188.338,6 2,7 362.467,8 1,9 8.366,12 0.627,13 5.349,15 4.041,16 0.109,17 3.969,18 0.88,19 1738,20 7.504,21 211.88,22 1.573,23 1.54,25 0.218,26 4.604,27 36.602,28 0.83,29 0.302,30 4.865,32 1.469,33 0.788,35 35368,36 4.62,37 55.168,38 6.287,39 282.193,40 50,41 18,43 53,44 1.043,45 -0.091,46 53598,47 0.584,48 1.971,49 23.66,50 1.448,51 1.464,52 1.19,53 1.121,54 132,55 17.45,56 -0.089,58 4.512,59 211.88,60 211.88,61 211.88,62 211.88,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 5.167}
{0 CHEMBL2206122,2 6,3 1,4 13.259,5 188.338,6 2,7 362.467,8 1,9 8.499,12 0.62,13 5.349,15 4.041,16 0.109,17 4.003,18 0.88,19 1770,20 7.504,21 211.88,22 1.572,23 1.539,25 0.218,26 4.604,27 37.727,28 0.83,29 0.302,30 4.865,32 1.464,33 0.788,35 35368,36 4.62,37 55.168,38 6.286,39 282.193,40 50,41 18,43 53,44 1.083,45 -0.141,46 55038,47 0.584,48 1.971,49 24.359,50 1.448,51 1.461,52 1.19,53 1.121,54 154,55 17.45,56 -0.136,58 4.512,59 211.88,60 211.88,61 211.88,62 211.88,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 5.237}
{0 CHEMBL2206123,2 6,3 1,4 17.984,5 235.422,6 3,7 331.254,8 1,9 8.165,10 1,12 0.643,13 5.322,14 1,15 4.045,16 0.112,17 3.938,18 1,19 1619,20 9.582,21 258.964,22 1.574,23 1.542,25 0.42,26 5.89,27 35.359,28 1,29 0.311,30 4.917,32 1.473,33 0.838,35 31763,36 4.694,37 58.696,38 5.996,39 303.58,40 53,41 22,43 56,44 1.088,45 -0.173,46 38517,47 0.65,48 1.983,49 22.538,50 1.383,51 1.465,52 1.209,53 1.131,54 136,55 17.45,56 -0.135,57 3,58 4.558,59 258.964,60 258.964,61 258.964,62 258.964,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 6.466}
{0 CHEMBL2206124,2 6,3 1,4 17.984,5 235.422,6 3,7 331.254,8 1,9 8.236,10 1,12 0.683,13 5.36,14 1,15 4.043,16 0.112,17 3.955,18 1,19 1636,20 9.582,21 258.964,22 1.587,23 1.55,25 0.409,26 5.89,27 35.996,28 1,29 0.311,30 4.916,32 1.505,33 0.838,35 31763,36 4.694,37 58.696,38 5.995,39 303.58,40 53,41 22,43 56,44 0.925,45 -0.21,46 38697,47 0.65,48 1.981,49 22.493,50 1.383,51 1.48,52 1.216,53 1.152,54 138,55 17.45,56 -0.173,57 3,58 4.558,59 258.964,60 258.964,61 258.964,62 258.964,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 4.951}
{0 CHEMBL2206125,2 6,3 1,4 17.984,5 235.422,6 3,7 331.254,8 1,9 8.311,10 1,12 0.692,13 5.209,14 1,15 4.043,16 0.112,17 3.978,18 1,19 1653,20 9.582,21 258.964,22 1.594,23 1.558,25 0.368,26 5.89,27 36.633,28 1,29 0.311,30 4.916,32 1.51,33 0.838,35 31763,36 4.694,37 58.696,38 5.995,39 303.58,40 53,41 22,43 56,44 1.124,45 -0.21,46 38877,47 0.65,48 1.981,49 22.493,50 1.383,51 1.486,52 1.218,53 1.162,54 161,55 17.45,56 -0.173,57 3,58 4.558,59 258.964,60 258.964,61 258.964,62 258.964,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 4.569}
{0 CHEMBL2206126,2 6,3 1,4 14.958,5 200.109,6 2,7 295.941,8 1,9 8.502,10 1,11 16.602,12 0.631,13 5.383,14 1,15 4.043,16 0.116,17 4.004,18 1,19 1778,20 7.983,21 223.651,22 1.574,23 1.542,25 0.218,26 4.967,27 38.008,28 1,29 0.302,30 4.882,31 1,32 1.475,33 0.851,35 35582,36 4.63,37 56.363,38 5.858,39 289.294,40 51,41 19,43 54,44 1.043,45 -0.192,46 48150,47 0.625,48 1.979,49 19.781,50 1.366,51 1.469,52 1.194,53 1.129,54 158,55 17.45,56 -0.151,58 4.512,59 223.651,60 223.651,61 223.651,62 223.651,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 6}
{0 CHEMBL2206127,2 6,3 1,4 18.618,5 262.8,6 3,7 358.631,8 1,9 8.645,10 1,12 0.694,13 5.261,15 4.043,16 0.109,17 4.041,18 1,19 1810,20 9.157,21 247.193,22 1.576,23 1.548,25 0.36,26 5.55,27 39.168,28 1,29 0.302,30 4.916,32 1.494,33 0.875,35 35582,36 4.692,37 58.64,38 6.473,39 303.58,40 53,41 21,43 56,44 1.102,45 -0.175,46 49262,47 0.639,48 1.98,49 21.115,50 1.366,51 1.476,52 1.21,53 1.163,54 180,55 17.45,56 -0.153,58 4.568,59 247.193,60 247.193,61 247.193,62 247.193,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 4.821}
{0 CHEMBL2206128,2 7,3 1,4 18.453,5 235.422,6 3,7 342.254,8 1,9 8.645,10 1,12 0.64,13 5.134,14 1,15 4.041,16 0.109,17 4.041,18 1,19 1810,20 9.133,21 258.964,22 1.585,23 1.56,25 0.411,26 5.792,27 39.168,28 1,29 0.302,30 4.911,31 1,32 1.526,33 0.808,35 35582,36 4.714,37 59.905,38 6.089,39 310.764,40 54,41 22,43 57,44 1.042,45 -0.16,46 46198,47 0.67,48 1.973,49 22.196,50 1.366,51 1.507,52 1.208,53 1.148,54 180,55 17.45,56 -0.131,58 4.585,59 258.964,60 258.964,61 258.964,62 258.964,63 4.125,64 4.125,65 10.572,66 10.572,67 10.572,68 6.615,69 6.013}
{0 CHEMBL2206129,2 5,3 1,4 8.627,5 164.795,6 1,7 249.627,8 1,9 7.975,11 45.954,12 0.626,13 5.306,15 4.038,16 0.115,17 3.897,18 0.75,19 1468,20 6.802,21 203.298,22 1.479,23 1.478,25 0.165,26 4.169,27 32.996,28 0.67,29 0.307,30 4.831,32 1.291,33 0.886,35 28587,36 4.525,37 50.837,38 5.976,39 254.084,40 46,41 16,43 49,44 0.924,45 -0.18,46 44800,47 0.592,48 1.972,49 23.604,50 1.4,51 1.276,52 1.091,53 1.043,54 126,55 16.934,56 -0.159,58 4.42,59 188.338,60 188.338,61 188.338,62 188.338,63 4.084,64 4.084,65 10.133,66 10.133,67 10.133,68 6.494,69 6.311}
{0 CHEMBL2206130,2 5,3 1,4 8.627,5 164.795,6 1,7 249.627,8 1,9 8.124,11 45.954,12 0.612,13 5.132,15 4.038,16 0.115,17 3.939,18 0.75,19 1500,20 6.802,21 203.298,22 1.467,23 1.475,25 0.218,26 4.169,27 34.133,28 0.67,29 0.307,30 4.831,32 1.282,33 0.886,35 28587,36 4.525,37 50.837,38 5.975,39 254.084,40 46,41 16,43 49,44 0.954,45 -0.177,46 46240,47 0.592,48 1.972,49 23.592,50 1.4,51 1.278,52 1.081,53 1.036,54 150,55 16.934,56 -0.182,58 4.42,59 188.338,60 188.338,61 188.338,62 188.338,63 4.084,64 4.084,65 10.133,66 10.133,67 10.133,68 6.494,69 6.306}
{0 CHEMBL2314721,2 8,3 1,4 24.704,5 317.82,6 9,7 412.109,8 1,9 8.367,10 1,12 0.822,13 5.043,14 1,15 4.016,16 0.11,17 3.988,18 1,19 1866,20 11.778,21 258.964,22 1.575,23 1.558,25 0.565,26 7.134,27 39.141,28 1,29 0.293,30 5.145,31 1,32 1.539,33 0.867,35 33779,36 4.897,37 66.152,38 7.659,39 347.076,40 59,41 27,42 2,43 62,44 1.12,45 -0.171,46 42416,47 0.775,48 1.935,49 30.977,50 1.366,51 1.524,52 1.191,53 1.116,54 164,55 17.122,56 -0.104,58 4.743,59 317.82,60 317.82,61 317.82,62 317.82,63 4.11,64 4.11,65 10.27,66 10.27,67 10.27,68 6.52,69 5.328}
{0 CHEMBL2314726,2 7,3 1,4 24.643,5 306.049,6 9,7 389.338,8 1,9 7.89,10 1,11 36.022,12 0.832,13 5.315,14 1,15 4.019,16 0.108,17 3.9,18 1,19 1824,20 12.604,21 258.964,22 1.587,23 1.579,24 2,25 0.574,26 7.338,27 36.688,28 1,29 0.287,30 5.217,31 1,32 1.539,33 0.966,34 5,35 34062,36 4.906,37 67.441,38 7.93,39 354.413,40 60,41 28,42 5,43 63,44 1.064,45 -0.098,46 39204,47 0.819,48 1.94,49 33.698,50 1.366,51 1.524,52 1.234,53 1.171,54 156,55 16.879,56 -0.062,57 4,58 4.747,59 306.049,60 306.049,61 306.049,62 306.049,63 4.075,64 4.075,65 10.05,66 10.05,67 10.05,68 6.426,69 4.481}
{0 CHEMBL2314727,2 7,3 1,4 17.776,5 247.193,6 5,7 294.338,8 1,9 6.98,10 1,12 0.582,13 5.031,14 1,15 3.985,16 0.144,17 3.688,18 1,19 806,20 8.972,21 223.651,22 1.516,23 1.512,25 0.218,26 5.58,27 21.118,28 1,29 0.371,30 4.837,31 1,32 1.276,33 0.937,35 9434,36 4.583,37 50.279,38 5.352,39 247.133,40 45,41 21,42 1,43 47,44 0.949,45 -0.129,46 18466,47 0.585,48 1.932,49 23.186,50 1.189,51 1.222,52 1.001,53 0.916,54 88,55 16.346,56 -0.116,58 4.419,59 247.193,60 247.193,61 247.193,62 247.193,63 3.98,64 3.98,65 9.639,66 9.639,67 9.639,68 6.313,69 5.398}
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{0 CHEMBL2314731,2 7,3 1,4 24.484,5 317.82,6 9,7 386.964,8 1,9 7.971,10 1,12 0.824,13 4.964,14 1,15 4.011,16 0.114,17 3.913,18 1,19 1516,20 11.686,21 258.964,22 1.576,23 1.54,25 0.564,26 7.134,27 34.907,28 1,29 0.304,30 5.121,31 1,32 1.536,33 0.879,35 30491,36 4.871,37 63.943,38 7.353,39 332.475,40 57,41 27,42 2,43 60,44 1.194,45 -0.12,46 33873,47 0.751,48 1.934,49 31.142,50 1.295,51 1.524,52 1.191,53 1.116,54 142,55 16.854,56 -0.103,58 4.71,59 317.82,60 317.82,61 317.82,62 317.82,63 4.062,64 4.062,65 10.029,66 10.029,67 10.029,68 6.419,69 5.409}
{0 CHEMBL2323351,2 8,3 1,4 24.246,5 306.049,6 8,7 364.964,8 1,9 8.576,10 1,11 17.888,12 0.804,13 4.824,14 1,15 3.969,16 0.116,17 4.021,18 1,19 1489,20 10.963,21 317.82,22 1.576,23 1.546,24 1,25 0.574,26 7.049,27 35.208,28 1,29 0.294,30 5.075,31 1,32 1.539,33 0.881,35 14428,36 4.866,37 64.604,38 6.624,39 332.475,40 57,41 28,43 59,44 1.093,45 -0.119,46 32573,47 0.825,48 1.923,49 29.65,50 1.233,51 1.523,52 1.191,53 1.115,54 132,55 15.378,56 -0.168,58 4.668,59 317.82,60 317.82,61 317.82,62 317.82,63 3.852,64 3.852,65 9.124,66 9.124,67 9.124,68 6.165,69 4.144}
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{0 CHEMBL2323353,2 8,3 1,4 23.584,5 306.049,6 8,7 353.965,8 1,9 8.645,10 1,11 17.888,12 0.825,13 4.83,14 1,15 3.966,16 0.12,17 4.049,18 1,19 1396,20 11.365,21 282.506,22 1.619,23 1.677,24 1,25 0.328,26 7.156,27 35.694,28 1,29 0.261,30 5.119,31 1,32 1.437,33 0.991,35 13230,36 4.847,37 63.394,38 6.732,39 325.212,40 56,41 28,43 58,44 1.006,45 -0.048,46 28512,47 0.819,48 1.923,49 30.887,50 1.095,51 1.439,52 1.185,53 1.112,54 148,55 13.418,56 -0.114,58 4.644,59 317.82,60 317.82,61 317.82,62 317.82,63 3.692,64 3.692,65 7.834,66 7.834,67 7.834,68 5.634,69 4.005}
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{0 CHEMBL2323355,2 7,3 1,4 22.33,5 294.278,6 8,7 342.193,8 1,9 8.298,10 1,11 17.888,12 0.825,13 4.926,14 1,15 3.979,16 0.124,17 3.984,18 1,19 1251,20 11.686,21 258.964,22 1.577,23 1.55,24 1,25 0.319,26 7.085,27 32.864,28 1,29 0.27,30 5.102,31 1,32 1.441,33 1.031,35 11796,36 4.793,37 60.896,38 6.722,39 310.764,40 54,41 27,42 3,43 56,44 0.962,45 -0.12,46 25609,47 0.766,48 1.952,49 29.895,50 1.117,51 1.429,52 1.158,53 1.085,54 132,55 13.418,56 -0.157,57 3,58 4.602,59 306.049,60 306.049,61 306.049,62 306.049,63 3.725,64 3.725,65 7.834,66 7.834,67 7.834,68 5.634,69 4.414}
{0 CHEMBL2323356,2 8,3 1,4 23.82,5 317.82,6 9,7 365.736,8 1,9 8.645,10 1,11 17.888,12 0.876,13 5.013,14 1,15 3.98,16 0.12,17 4.049,18 1,19 1396,20 12.585,21 247.193,22 1.658,23 1.692,24 1,25 0.332,26 7.612,27 35.694,28 1,29 0.261,30 5.178,31 1,32 1.459,33 1.069,35 13230,36 4.852,37 64.311,38 7.279,39 332.475,40 57,41 29,42 3,43 59,44 0.989,45 -0.045,46 27368,47 0.805,48 1.952,49 32.441,50 1.095,51 1.456,52 1.209,53 1.136,54 148,55 13.418,56 -0.093,57 3,58 4.658,59 329.591,60 329.591,61 329.591,62 329.591,63 3.725,64 3.725,65 7.834,66 7.834,67 7.834,68 5.634,69 4.337}
{0 CHEMBL2332530,2 3,3 1,4 40.052,5 482.615,6 18,7 583.195,9 7.749,11 36.022,12 1.163,13 5.866,15 4.172,16 0.076,17 3.735,18 0.75,19 5631,20 22.446,21 329.591,22 1.917,23 1.875,24 2,25 1.005,26 11.959,27 52.992,28 0.5,29 0.329,30 5.852,32 1.796,33 0.929,34 4,35 769207,36 5.449,37 105.218,38 13.884,39 616.131,40 94,41 43,42 9,43 103,44 1.015,45 -0.047,46 98858,47 1.383,48 1.975,49 61.455,50 1.593,51 1.763,52 1.598,53 1.538,54 272,55 29.704,56 -0.03,57 3,58 5.286,59 482.615,60 482.615,61 482.615,62 482.615,63 5.108,64 5.108,65 19.713,66 19.713,67 19.713,68 9.087,69 4.748}
{0 CHEMBL2332531,2 3,3 1,4 35.566,5 435.531,6 17,7 614.408,9 7.797,11 36.022,12 1.14,13 5.936,15 4.171,16 0.075,17 3.737,18 0.75,19 5930,20 20.459,21 282.506,22 1.91,23 1.873,24 2,25 0.997,26 10.704,27 54.154,28 0.5,29 0.323,30 5.832,32 1.792,33 0.898,34 4,35 786760,36 5.415,37 101.691,38 14.174,39 592.209,40 91,41 39,42 9,43 100,44 1.01,45 -0.022,46 120821,47 1.318,48 1.964,49 61.556,50 1.635,51 1.761,52 1.594,53 1.535,54 270,55 29.705,56 -0.011,58 5.264,59 435.531,60 435.531,61 435.531,62 435.531,63 5.108,64 5.108,65 19.713,66 19.713,67 19.713,68 9.087,69 5.025}
{0 CHEMBL2332532,2 4,3 0.5,4 37.049,5 447.302,6 17,7 598.628,9 7.962,11 36.022,12 1.145,13 5.959,15 4.174,16 0.074,17 3.769,18 0.63,19 6338,20 20.879,21 294.278,22 1.916,23 1.876,24 2,25 1,26 11.037,27 57.237,28 0.5,29 0.318,30 5.849,32 1.797,33 0.95,34 4,35 806279,36 5.434,37 104.305,38 13.809,39 608.142,40 93,41 40,42 9,43 102,44 1.027,45 -0.038,46 126134,47 1.407,48 1.976,49 59.13,50 1.623,51 1.768,52 1.597,53 1.538,54 266,55 29.704,56 -0.014,58 5.282,59 447.302,60 447.302,61 447.302,62 447.302,63 5.108,64 5.108,65 19.713,66 19.713,67 19.713,68 9.087,69 4.615}
{0 CHEMBL2332533,2 3,3 1,4 37.209,5 447.302,6 17,7 547.882,9 7.657,11 36.022,12 1.138,13 5.936,15 4.171,16 0.076,17 3.704,18 0.75,19 5557,20 20.896,21 309.238,22 1.915,23 1.874,24 2,25 0.996,26 11.089,27 51.569,28 0.5,29 0.329,30 5.838,32 1.793,33 0.945,34 4,35 769207,36 5.419,37 102.142,38 13.722,39 592.209,40 91,41 40,42 9,43 100,44 1.016,45 -0.03,46 106834,47 1.417,48 1.964,49 59.563,50 1.593,51 1.762,52 1.595,53 1.535,54 235,55 29.705,56 -0.006,58 5.262,59 447.302,60 447.302,61 447.302,62 447.302,63 5.108,64 5.108,65 19.713,66 19.713,67 19.713,68 9.087,69 5.041}
{0 CHEMBL2332534,2 3,3 1,4 37.002,5 447.302,6 17,7 587.03,9 7.657,11 36.022,12 1.14,13 5.936,15 4.171,16 0.076,17 3.704,18 0.75,19 5557,20 20.939,21 294.278,22 1.915,23 1.874,24 2,25 0.997,26 11.052,27 51.569,28 0.5,29 0.329,30 5.833,32 1.793,33 0.923,34 4,35 769207,36 5.416,37 101.747,38 13.853,39 592.209,40 91,41 40,42 9,43 100,44 1.012,45 -0.015,46 106834,47 1.33,48 1.965,49 60.74,50 1.593,51 1.762,52 1.595,53 1.535,54 235,55 29.705,56 -0.001,58 5.261,59 447.302,60 447.302,61 447.302,62 447.302,63 5.108,64 5.108,65 19.713,66 19.713,67 19.713,68 9.087,69 4.93}
{0 CHEMBL2332535,2 3,3 1,4 11.964,5 200.109,6 2,7 328.696,8 1,9 5.859,10 1,12 0.536,13 4.55,15 4.016,16 0.129,17 3.356,18 1,19 1091,20 7.459,21 200.109,22 1.503,23 1.449,25 0.17,26 4.482,27 23.621,28 1,29 0.35,30 4.772,32 1.285,33 0.862,35 10491,36 4.478,37 48.542,38 5.517,39 240.215,40 44,41 17,43 46,44 0.877,45 -0.141,46 26104,47 0.508,48 1.966,49 20.679,50 1.487,51 1.284,52 1.043,53 0.974,54 85,55 17.193,56 -0.119,58 4.35,59 200.109,60 200.109,61 200.109,62 200.109,63 4.105,64 4.105,65 10.156,66 10.156,67 10.156,68 6.501,69 4.436}
{0 CHEMBL2332536,2 3,3 1,4 12.704,5 200.109,6 2,7 250.399,8 1,9 5.859,10 1,12 0.536,13 4.55,14 1,15 4.018,16 0.129,17 3.356,18 1,19 1091,20 7.488,21 230.029,22 1.503,23 1.449,25 0.159,26 4.623,27 23.621,28 1,29 0.35,30 4.8,31 1,32 1.285,33 0.94,35 10491,36 4.496,37 49.333,38 5.255,39 240.215,40 44,41 17,43 46,44 0.839,45 -0.213,46 26104,47 0.688,48 1.964,49 19.049,50 1.487,51 1.284,52 1.043,53 0.974,54 85,55 17.193,56 -0.147,58 4.36,59 200.109,60 200.109,61 200.109,62 200.109,63 4.107,64 4.107,65 10.156,66 10.156,67 10.156,68 6.501,69 4.267}
{0 CHEMBL2332537,2 5,3 1,4 12.42,5 200.109,6 2,7 351.892,8 1,9 6.772,10 1,12 0.536,13 4.585,14 1,15 4.054,16 0.115,17 3.611,18 1,19 1669,20 7.398,21 200.109,22 1.509,23 1.594,25 0.213,26 4.521,27 31.446,28 0.83,29 0.306,30 4.86,31 1,32 1.529,33 0.952,35 16379,36 4.569,37 53.658,38 5.428,39 268.078,40 48,41 17,43 50,44 0.866,45 -0.264,46 45064,47 0.672,48 1.981,49 17.707,50 1.541,51 1.598,52 1.192,53 1.16,54 116,55 17.128,56 -0.201,58 4.453,59 200.109,60 200.109,61 200.109,62 200.109,63 4.098,64 4.098,65 10.112,66 10.112,67 10.112,68 6.488,69 4.291}
{0 CHEMBL2332538,2 3,3 1,4 17.968,5 270.735,6 4,7 321.025,8 1,9 5.859,10 1,12 0.604,13 4.534,14 1,15 4.028,16 0.129,17 3.356,18 1,19 1091,20 10.452,21 270.735,22 1.555,23 1.471,25 0.372,26 6.312,27 23.621,28 1,29 0.35,30 4.878,32 1.469,33 0.874,35 10491,36 4.639,37 55.484,38 5.581,39 282.193,40 50,41 23,43 52,44 0.914,45 -0.21,46 19216,47 0.617,48 1.985,49 23.012,50 1.487,51 1.418,52 1.208,53 1.128,54 85,55 17.193,56 -0.169,57 6,58 4.47,59 270.735,60 270.735,61 270.735,62 270.735,63 4.11,64 4.11,65 10.156,66 10.156,67 10.156,68 6.501,69 4.523}
{0 CHEMBL2332539,2 5,3 1,4 19.026,5 270.735,6 4,7 343.025,8 1,9 6.15,10 1,12 0.574,13 4.594,14 1,15 4.021,16 0.121,17 3.427,18 1,19 1337,20 9.584,21 270.735,22 1.574,23 1.534,25 0.374,26 6.105,27 26.307,28 1,29 0.328,30 4.867,31 1,32 1.532,33 0.811,35 13297,36 4.681,37 57.903,38 5.769,39 296.423,40 52,41 23,43 54,44 0.82,45 -0.176,46 26306,47 0.655,48 1.965,49 22.455,50 1.453,51 1.512,52 1.197,53 1.124,54 95,55 17.223,56 -0.113,58 4.528,59 270.735,60 270.735,61 270.735,62 270.735,63 4.111,64 4.111,65 10.18,66 10.18,67 10.18,68 6.506,69 4.539}
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{0 CHEMBL2332541,2 3,3 1,4 37.002,5 447.302,6 17,7 587.03,9 7.749,11 36.022,12 1.14,13 5.848,15 4.171,16 0.076,17 3.735,18 0.75,19 5631,20 20.939,21 294.278,22 1.914,23 1.874,24 2,25 0.997,26 11.052,27 52.992,28 0.5,29 0.329,30 5.833,32 1.793,33 0.923,34 4,35 769207,36 5.416,37 101.747,38 13.852,39 592.209,40 91,41 40,42 9,43 100,44 1.006,45 -0.036,46 109298,47 1.33,48 1.966,49 61.092,50 1.593,51 1.761,52 1.595,53 1.535,54 272,55 29.704,56 -0.019,58 5.261,59 447.302,60 447.302,61 447.302,62 447.302,63 5.108,64 5.108,65 19.713,66 19.713,67 19.713,68 9.087,69 4.963}
{0 CHEMBL2332542,2 4,3 1,4 40.403,5 482.615,6 18,7 594.195,9 7.752,11 36.022,12 1.141,13 5.972,15 4.172,16 0.075,17 3.718,18 0.63,19 5900,20 22.006,21 329.591,22 1.916,23 1.875,24 2,25 0.998,26 11.851,27 53.598,28 0.5,29 0.323,30 5.85,32 1.794,33 0.916,34 4,35 787742,36 5.459,37 106.427,38 13.979,39 624.136,40 95,41 43,42 9,43 104,44 1.003,45 -0.024,46 107013,47 1.399,48 1.965,49 61.178,50 1.581,51 1.762,52 1.595,53 1.535,54 243,55 29.705,56 -0.002,58 5.299,59 482.615,60 482.615,61 482.615,62 482.615,63 5.108,64 5.108,65 19.713,66 19.713,67 19.713,68 9.087,69 4.716}
{0 CHEMBL2332543,2 3,3 1,4 40.052,5 482.615,6 18,7 583.195,9 7.657,11 36.022,12 1.17,13 5.922,15 4.172,16 0.076,17 3.704,18 0.75,19 5557,20 22.446,21 329.591,22 1.916,23 1.875,24 2,25 1.003,26 11.959,27 51.569,28 0.5,29 0.329,30 5.852,32 1.794,33 0.929,34 4,35 769207,36 5.449,37 105.218,38 13.885,39 616.131,40 94,41 43,42 9,43 103,44 1.019,45 -0.031,46 98242,47 1.383,48 1.978,49 61.471,50 1.593,51 1.762,52 1.596,53 1.536,54 235,55 29.705,56 -0.014,57 3,58 5.286,59 482.615,60 482.615,61 482.615,62 482.615,63 5.108,64 5.108,65 19.713,66 19.713,67 19.713,68 9.087,69 4.887}
{0 CHEMBL2332544,2 3,3 1,4 38.173,5 459.073,6 17,7 559.653,9 7.598,11 36.022,12 1.14,13 5.848,15 4.171,16 0.077,17 3.7,18 0.75,19 5252,20 21.396,21 306.049,22 1.916,23 1.874,24 2,25 0.998,26 11.389,27 50.04,28 0.5,29 0.334,30 5.834,32 1.794,33 0.95,34 4,35 751664,36 5.416,37 101.803,38 13.531,39 592.209,40 91,41 41,42 9,43 100,44 1.009,45 -0.029,46 95551,47 1.342,48 1.967,49 59.975,50 1.541,51 1.762,52 1.595,53 1.535,54 230,55 29.704,56 -0.01,58 5.257,59 459.073,60 459.073,61 459.073,62 459.073,63 5.108,64 5.108,65 19.713,66 19.713,67 19.713,68 9.087,69 4.74}
{0 CHEMBL2332545,2 4,3 1,4 31.898,5 423.76,6 10,7 499.194,9 8.357,11 18.011,12 1.147,13 5.636,15 4.158,16 0.077,17 3.831,18 0.63,19 5616,20 18.658,21 341.362,22 1.903,23 1.867,24 1,25 0.791,26 10.354,27 55.269,28 0.5,29 0.305,30 5.658,32 1.733,33 0.939,34 2,35 400715,36 5.278,37 95.182,38 11.527,39 552.659,40 86,41 37,42 5,43 94,44 0.958,45 -0.038,46 100088,47 1.12,48 2.095,49 48.836,50 1.353,51 1.744,52 1.549,53 1.499,54 232,55 25.976,56 -0.03,58 5.131,59 423.76,60 423.76,61 423.76,62 423.76,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 4.928}
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{0 CHEMBL2332547,2 3,3 1,4 17.674,5 270.735,6 2,7 321.025,9 6.695,12 0.708,13 4.736,15 4.13,16 0.101,17 3.574,18 0.75,19 1859,20 10.602,21 270.735,22 1.69,23 1.646,25 0.415,26 6.367,27 30.99,28 0.83,29 0.282,30 5.05,32 1.597,33 0.907,35 52587,36 4.736,37 61.484,38 6.394,39 325.212,40 56,41 23,43 60,44 0.847,45 -0.114,46 36112,47 0.632,48 2.095,49 25.315,50 1.301,51 1.57,52 1.448,53 1.408,54 120,55 17.537,56 -0.083,58 4.602,59 270.735,60 270.735,61 270.735,62 270.735,63 4.142,64 4.142,65 10.434,66 10.434,67 10.434,68 6.572,69 4.636}
{0 CHEMBL2332548,2 4,3 1,4 28.683,5 376.675,6 10,7 452.11,9 7.565,11 18.011,12 1.101,13 5.345,15 4.122,16 0.093,17 3.729,18 0.75,19 3344,20 16.392,21 294.278,22 1.87,23 1.848,24 1,25 0.706,26 9.148,27 42.791,28 0.67,29 0.37,30 5.518,32 1.729,33 0.98,34 2,35 142045,36 5.137,37 82.351,38 10.005,39 459.5,40 74,41 33,42 5,43 80,44 0.971,45 -0.081,46 62262,47 1.011,48 1.97,49 43.518,50 1.384,51 1.744,52 1.544,53 1.496,54 185,55 25.976,56 -0.064,58 4.981,59 376.675,60 376.675,61 376.675,62 376.675,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 4.788}
{0 CHEMBL2332549,2 4,3 1,4 32.303,5 423.76,6 12,7 499.194,9 7.718,11 18.011,12 1.106,13 5.494,15 4.125,16 0.089,17 3.739,18 0.63,19 3844,20 18.477,21 341.362,22 1.878,23 1.853,24 1,25 0.716,26 10.286,27 45.735,28 0.67,29 0.355,30 5.568,32 1.729,33 0.926,34 2,35 162859,36 5.222,37 89.182,38 10.713,39 505.754,40 80,41 37,42 5,43 86,44 1.003,45 -0.087,46 66656,47 1.095,48 1.986,49 46.409,50 1.512,51 1.744,52 1.545,53 1.496,54 187,55 25.976,56 -0.074,57 6,58 5.055,59 423.76,60 423.76,61 423.76,62 423.76,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 4.749}
{0 CHEMBL2332550,2 6,3 1,4 33.162,5 423.76,6 12,7 521.194,9 7.938,11 18.011,12 1.101,13 5.559,15 4.124,16 0.086,17 3.768,18 0.75,19 4422,20 17.604,21 341.362,22 1.866,23 1.848,24 1,25 0.706,26 10.072,27 49.404,28 0.67,29 0.341,30 5.563,32 1.729,33 0.893,34 2,35 185089,36 5.246,37 91.6,38 10.902,39 521.319,40 82,41 37,42 5,43 88,44 0.954,45 -0.069,46 81474,47 1.129,48 1.966,49 45.927,50 1.486,51 1.744,52 1.544,53 1.496,54 195,55 25.976,56 -0.043,58 5.087,59 423.76,60 423.76,61 423.76,62 423.76,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 5.026}
{0 CHEMBL2332974,2 4,3 1,4 26.232,5 353.133,6 10,7 506.865,9 7.718,11 18.011,12 1.1,13 5.561,15 4.123,16 0.089,17 3.739,18 0.63,19 3844,20 15.47,21 270.735,22 1.861,23 1.845,24 1,25 0.705,26 8.455,27 45.735,28 0.5,29 0.355,30 5.517,32 1.729,33 0.917,34 2,35 162859,36 5.136,37 82.239,38 10.65,39 459.5,40 74,41 31,42 5,43 80,44 0.986,45 -0.04,46 81164,47 0.987,48 1.967,49 44.999,50 1.512,51 1.744,52 1.544,53 1.496,54 187,55 25.976,56 -0.038,58 4.99,59 353.133,60 353.133,61 353.133,62 353.133,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 4.705}
{0 CHEMBL2332975,2 4,3 1,4 26.818,5 353.133,6 10,7 428.568,9 7.718,11 18.011,12 1.088,13 5.561,15 4.123,16 0.089,17 3.739,18 0.63,19 3844,20 15.438,21 300.656,22 1.863,23 1.846,24 1,25 0.705,26 8.562,27 45.735,28 0.5,29 0.355,30 5.53,32 1.729,33 0.967,34 2,35 162859,36 5.145,37 83.031,38 10.388,39 459.5,40 74,41 31,42 5,43 80,44 0.985,45 -0.083,46 81164,47 1.164,48 1.965,49 42.798,50 1.512,51 1.744,52 1.544,53 1.496,54 187,55 25.976,56 -0.054,58 4.995,59 353.133,60 353.133,61 353.133,62 353.133,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 5.456}
{0 CHEMBL2332976,2 6,3 0.5,4 26.487,5 353.133,6 10,7 530.062,9 8.392,11 18.011,12 1.102,13 5.567,15 4.129,16 0.083,17 3.862,18 0.63,19 5174,20 15.377,21 270.735,22 1.87,23 1.862,24 1,25 0.709,26 8.457,27 55.488,28 0.5,29 0.328,30 5.559,32 1.732,33 0.978,34 2,35 207595,36 5.184,37 87.355,38 10.561,39 490.261,40 78,41 31,42 5,43 84,44 1.006,45 -0.107,46 116064,47 1.146,48 1.982,49 41.824,50 1.571,51 1.745,52 1.545,53 1.496,54 230,55 25.976,56 -0.077,58 5.045,59 353.133,60 353.133,61 353.133,62 353.133,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 4.741}
{0 CHEMBL2332977,2 4,3 1,4 22.559,5 329.591,6 10,7 561.62,9 8.038,11 18.011,12 1.099,13 5.561,15 4.123,16 0.086,17 3.808,18 0.63,19 4468,20 14.444,21 247.193,22 1.836,23 1.837,24 1,25 0.699,26 7.721,27 50.359,28 0.5,29 0.341,30 5.515,32 1.728,33 0.861,34 2,35 183933,36 5.135,37 82.127,38 11.292,39 459.5,40 74,41 29,42 5,43 80,44 0.994,45 -0.061,46 106210,47 0.963,48 1.964,49 45.921,50 1.59,51 1.744,52 1.544,53 1.496,54 228,55 25.976,56 -0.064,58 4.999,59 329.591,60 329.591,61 329.591,62 329.591,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 4.674}
{0 CHEMBL2332978,2 4,3 1,4 32.303,5 423.76,6 12,7 499.194,9 7.93,11 18.011,12 1.106,13 5.328,15 4.124,16 0.089,17 3.809,18 0.63,19 3960,20 18.477,21 341.362,22 1.886,23 1.857,24 1,25 0.77,26 10.286,27 48.37,28 0.67,29 0.355,30 5.568,32 1.731,33 0.926,34 2,35 162859,36 5.222,37 89.182,38 10.711,39 505.754,40 80,41 37,42 5,43 86,44 0.992,45 -0.126,46 67648,47 1.095,48 1.982,49 46.387,50 1.512,51 1.744,52 1.546,53 1.496,54 224,55 25.976,56 -0.114,57 6,58 5.055,59 423.76,60 423.76,61 423.76,62 423.76,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 4.599}
{0 CHEMBL2332979,2 4,3 1,4 26.232,5 353.133,6 10,7 506.865,9 7.93,11 18.011,12 1.1,13 5.345,15 4.123,16 0.089,17 3.809,18 0.63,19 3960,20 15.47,21 270.735,22 1.851,23 1.842,24 1,25 0.7,26 8.455,27 48.37,28 0.5,29 0.355,30 5.516,32 1.728,33 0.917,34 2,35 162859,36 5.136,37 82.239,38 10.647,39 459.5,40 74,41 31,42 5,43 80,44 0.97,45 -0.095,46 85324,47 0.987,48 1.968,49 45.975,50 1.512,51 1.744,52 1.544,53 1.496,54 224,55 25.976,56 -0.086,58 4.99,59 353.133,60 353.133,61 353.133,62 353.133,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 4.491}
{0 CHEMBL2332980,2 4,3 1,4 26.818,5 353.133,6 10,7 428.568,9 7.93,11 18.011,12 1.091,13 5.345,15 4.123,16 0.089,17 3.809,18 0.63,19 3960,20 15.438,21 300.656,22 1.856,23 1.845,24 1,25 0.695,26 8.562,27 48.37,28 0.5,29 0.355,30 5.53,32 1.729,33 0.967,34 2,35 162859,36 5.145,37 83.031,38 10.385,39 459.5,40 74,41 31,42 5,43 80,44 0.995,45 -0.079,46 85324,47 1.164,48 1.967,49 42.957,50 1.512,51 1.744,52 1.544,53 1.496,54 224,55 25.976,56 -0.077,58 4.995,59 353.133,60 353.133,61 353.133,62 353.133,63 4.851,64 4.851,65 17.408,66 17.408,67 17.408,68 8.511,69 5.399}
{0 CHEMBL2332981,2 3,3 1,4 39.768,5 482.615,6 17,7 583.195,9 7.952,11 36.022,12 1.196,13 6.023,15 4.185,16 0.071,17 3.756,18 0.75,19 6580,20 22.545,21 329.591,22 1.918,23 1.877,24 2,25 1.01,26 12.004,27 57.005,28 0.5,29 0.308,30 5.887,32 1.798,33 0.933,34 4,35 957166,36 5.472,37 108.218,38 14.292,39 640.192,40 97,41 43,42 9,43 107,44 1.001,45 -0.014,46 117490,47 1.403,48 2.088,49 62.611,50 1.52,51 1.765,52 1.606,53 1.55,54 262,55 29.705,56 0.001,58 5.317,59 482.615,60 482.615,61 482.615,62 482.615,63 5.108,64 5.108,65 19.713,66 19.713,67 19.713,68 9.087,69 5.192}
{0 CHEMBL2333925,1 2,2 16,3 0.5,4 37.32,5 529.7,6 18,7 552.471,9 11.965,11 35.041,12 1.145,13 5.763,15 4.117,16 0.08,17 4.479,18 0.63,19 3384,20 21.036,21 435.531,22 1.909,23 1.885,24 1,25 0.761,26 12.469,27 56.418,28 0.5,29 0.27,30 5.643,32 1.837,33 1.079,34 3,35 63372,36 5.292,37 96.839,38 11.773,39 552.659,40 86,41 47,42 13,43 89,44 1.136,45 0.005,46 62920,47 1.177,48 2.072,49 49.752,50 1.14,51 1.809,52 1.629,53 1.563,54 269,55 18.879,56 0.013,57 16,58 5.081,59 541.471,60 541.471,61 541.471,62 541.471,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.028}
{0 CHEMBL2333926,1 2,2 17,3 0.5,4 38.697,5 553.242,6 19,7 576.013,9 12.448,11 35.041,12 1.149,13 5.717,15 4.117,16 0.078,17 4.538,18 0.63,19 3676,20 21.903,21 459.073,22 1.934,23 1.895,24 1,25 0.803,26 12.983,27 60.1,28 0.5,29 0.264,30 5.684,32 1.855,33 1.092,34 3,35 67151,36 5.328,37 100.254,38 12.273,39 576.34,40 89,41 49,42 14,43 92,44 1.129,45 0.007,46 68031,47 1.216,48 2.072,49 51.543,50 1.125,51 1.831,52 1.656,53 1.591,54 284,55 18.879,56 0.015,57 18,58 5.115,59 565.013,60 565.013,61 565.013,62 565.013,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.693}
{0 CHEMBL2333927,1 2,2 10,3 1,4 29.061,5 376.675,6 12,7 438.595,9 9.153,11 35.041,12 1.002,13 5.565,15 4.117,16 0.091,17 4.097,18 0.75,19 2144,20 15.506,21 306.049,22 1.843,23 1.816,24 1,25 0.621,26 9.084,27 41.183,28 0.5,29 0.307,30 5.357,32 1.596,33 0.942,34 3,35 47055,36 5.043,37 76.292,38 9.094,39 413.947,40 68,41 34,42 7,43 71,44 1.171,45 -0.019,46 44359,47 0.93,48 2.07,49 41.101,50 1.333,51 1.561,52 1.402,53 1.35,54 200,55 18.902,56 -0.02,57 6,58 4.849,59 388.446,60 388.446,61 388.446,62 388.446,63 4.214,64 4.214,65 11.364,66 11.364,67 11.364,68 6.833,69 7.18}
{0 CHEMBL2333928,1 2,2 12,3 0.5,4 32.147,5 423.76,6 14,7 485.679,9 10.146,11 35.041,12 1.012,13 5.676,15 4.118,16 0.086,17 4.244,18 0.63,19 2562,20 17.356,21 329.591,22 1.872,23 1.863,24 1,25 0.75,26 10.156,27 46.741,28 0.5,29 0.291,30 5.461,32 1.645,33 0.98,34 3,35 53941,36 5.133,37 83.122,38 10.094,39 459.5,40 74,41 38,42 9,43 77,44 1.129,45 -0.007,46 53257,47 1.009,48 2.07,49 45.35,50 1.3,51 1.628,52 1.416,53 1.363,54 226,55 18.902,56 -0.005,57 8,58 4.934,59 435.531,60 435.531,61 435.531,62 435.531,63 4.214,64 4.214,65 11.364,66 11.364,67 11.364,68 6.833,69 7.73}
{0 CHEMBL2333929,1 2,2 13,3 0.5,4 33.658,5 447.302,6 15,7 509.222,9 10.639,11 35.041,12 1.052,13 5.728,15 4.118,16 0.084,17 4.313,18 0.63,19 2807,20 18.267,21 353.133,22 1.875,23 1.869,24 1,25 0.752,26 10.686,27 49.63,28 0.5,29 0.284,30 5.51,32 1.713,33 0.996,34 3,35 57550,36 5.175,37 86.537,38 10.594,39 482.543,40 77,41 40,42 10,43 80,44 1.123,45 -0.003,46 58046,47 1.048,48 2.07,49 47.397,50 1.283,51 1.69,52 1.475,53 1.408,54 240,55 18.902,56 0.001,57 10,58 4.974,59 459.073,60 459.073,61 459.073,62 459.073,63 4.214,64 4.214,65 11.364,66 11.364,67 11.364,68 6.833,69 7.726}
{0 CHEMBL2333930,1 2,2 15,3 0.5,4 36.628,5 494.386,6 17,7 556.306,9 11.621,11 35.041,12 1.138,13 5.779,15 4.118,16 0.08,17 4.441,18 0.63,19 3335,20 20.064,21 400.217,22 1.886,23 1.877,24 1,25 0.756,26 11.739,27 55.655,28 0.5,29 0.271,30 5.6,32 1.807,33 1.027,34 3,35 65105,36 5.254,37 93.368,38 11.594,39 529.128,40 83,41 44,42 12,43 86,44 1.108,45 0.004,46 68324,47 1.127,48 2.07,49 51.363,50 1.252,51 1.779,52 1.59,53 1.522,54 269,55 18.902,56 0.01,57 14,58 5.049,59 506.157,60 506.157,61 506.157,62 506.157,63 4.214,64 4.214,65 11.364,66 11.364,67 11.364,68 6.833,69 7.754}
{0 CHEMBL2333931,1 2,2 13,3 0.5,4 33.118,5 459.073,6 15,7 481.844,9 9.506,11 35.041,12 1.081,13 5.676,15 4.116,16 0.086,17 4.14,18 0.63,19 2496,20 18.405,21 364.904,22 1.866,23 1.851,24 1,25 0.729,26 10.915,27 41.111,28 0.5,29 0.291,30 5.511,32 1.677,33 1.036,34 3,35 41810,36 5.175,37 86.593,38 10.27,39 482.543,40 77,41 41,42 10,43 80,44 1.113,45 0.007,46 46419,47 1.059,48 2.072,49 44.024,50 1.189,51 1.648,52 1.438,53 1.367,54 208,55 18.879,56 0.014,57 10,58 4.969,59 470.844,60 470.844,61 470.844,62 470.844,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.542}
{0 CHEMBL2333932,1 2,2 9,3 1,4 27.331,5 364.904,6 11,7 387.675,9 8.518,11 35.041,12 0.974,13 5.507,15 4.115,16 0.096,17 3.984,18 1,19 1780,20 14.784,21 317.82,22 1.757,23 1.746,24 1,25 0.609,26 8.806,27 36.328,28 1,29 0.324,30 5.302,32 1.593,33 0.966,34 2,35 39915,36 4.995,37 72.932,38 8.278,39 391.454,40 65,41 33,42 6,43 68,44 1.173,45 -0.01,46 33303,47 0.901,48 2.071,49 36.446,50 1.259,51 1.556,52 1.397,53 1.342,54 176,55 18.879,56 -0.02,57 6,58 4.799,59 376.675,60 376.675,61 376.675,62 376.675,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.296}
{0 CHEMBL2333933,1 2,2 10,3 1,4 28.806,5 388.446,6 12,7 411.217,9 9.016,11 35.041,12 1.002,13 5.565,15 4.115,16 0.093,17 4.067,18 1,19 1964,20 15.702,21 317.82,22 1.846,23 1.818,24 1,25 0.633,26 9.338,27 38.775,28 0.83,29 0.315,30 5.358,32 1.596,33 0.986,34 3,35 42952,36 5.043,37 76.348,38 8.773,39 413.947,40 68,41 35,42 7,43 71,44 1.211,45 -0.017,46 36902,47 0.941,48 2.072,49 38.416,50 1.241,51 1.562,52 1.402,53 1.349,54 188,55 18.879,56 -0.015,57 6,58 4.844,59 400.217,60 400.217,61 400.217,62 400.217,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.383}
{0 CHEMBL2333934,1 2,2 11,3 0.5,4 30.261,5 411.989,6 13,7 434.76,9 9.512,11 35.041,12 1.006,13 5.621,15 4.115,16 0.091,17 4.144,18 0.75,19 2148,20 16.61,21 317.82,22 1.867,23 1.851,24 1,25 0.733,26 9.867,27 41.433,28 0.67,29 0.307,30 5.412,32 1.603,33 1.005,34 3,35 46092,36 5.089,37 79.763,38 9.273,39 436.632,40 71,41 37,42 8,43 74,44 1.2,45 -0.012,46 40705,47 0.98,48 2.072,49 40.394,50 1.223,51 1.577,52 1.405,53 1.354,54 200,55 18.879,56 -0.008,57 6,58 4.888,59 423.76,60 423.76,61 423.76,62 423.76,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.402}
{0 CHEMBL2333935,1 2,2 12,3 0.5,4 31.701,5 435.531,6 14,7 458.302,9 10.007,11 35.041,12 1.012,13 5.676,15 4.116,16 0.088,17 4.218,18 0.63,19 2366,20 17.51,21 341.362,22 1.872,23 1.863,24 1,25 0.75,26 10.392,27 44.171,28 0.67,29 0.299,30 5.463,32 1.648,33 1.022,34 3,35 49336,36 5.133,37 83.178,38 9.773,39 459.5,40 74,41 39,42 9,43 77,44 1.167,45 -0.007,46 44716,47 1.02,48 2.072,49 42.33,50 1.206,51 1.631,52 1.417,53 1.363,54 213,55 18.879,56 -0.002,57 8,58 4.929,59 447.302,60 447.302,61 447.302,62 447.302,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.629}
{0 CHEMBL2333936,1 2,2 13,3 0.5,4 33.125,5 459.073,6 15,7 481.844,9 10.5,11 35.041,12 1.052,13 5.728,15 4.116,16 0.086,17 4.288,18 0.63,19 2584,20 18.401,21 364.904,22 1.875,23 1.869,24 1,25 0.752,26 10.915,27 46.988,28 0.5,29 0.291,30 5.511,32 1.715,33 1.038,34 3,35 52685,36 5.175,37 86.593,38 10.273,39 482.543,40 77,41 41,42 10,43 80,44 1.16,45 -0.003,46 48939,47 1.059,48 2.072,49 44.23,50 1.189,51 1.692,52 1.475,53 1.408,54 226,55 18.879,56 0.003,57 10,58 4.969,59 470.844,60 470.844,61 470.844,62 470.844,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.793}
{0 CHEMBL2333937,1 2,2 15,3 0.5,4 35.933,5 506.157,6 17,7 528.928,9 11.479,11 35.041,12 1.139,13 5.779,15 4.116,16 0.082,17 4.418,18 0.63,19 3092,20 20.164,21 411.989,22 1.887,23 1.878,24 1,25 0.756,26 11.953,27 53.197,28 0.5,29 0.277,30 5.601,32 1.808,33 1.066,34 3,35 59702,36 5.255,37 93.424,38 11.273,39 529.128,40 83,41 45,42 12,43 86,44 1.143,45 0.003,46 58037,47 1.138,48 2.072,49 47.937,50 1.156,51 1.78,52 1.59,53 1.522,54 254,55 18.879,56 0.01,57 14,58 5.045,59 517.928,60 517.928,61 517.928,62 517.928,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.45}
{0 CHEMBL2334725,1 1,2 7,3 1,4 28.427,5 231.386,6 8,7 378.844,8 1,9 6.99,11 36.022,12 0.556,13 4.937,15 4.067,16 0.132,17 3.696,18 0.88,19 1322,20 9.042,21 167.984,22 1.436,23 1.48,24 2,25 0.159,26 4.752,27 27.301,28 0.83,29 0.344,30 4.92,32 1.308,33 0.813,34 2,35 7608,36 4.652,37 53.367,38 7.662,39 261.066,40 47,41 19,42 2,43 48,44 1.015,45 -0.139,46 41346,47 0.714,48 1.89,49 34.599,50 1.751,51 1.277,52 1.064,53 1.027,54 108,55 16.715,56 -0.115,57 6,58 4.513,59 200.109,60 200.109,61 200.109,62 200.109,63 4.003,64 4.003,65 9.962,66 9.962,67 9.962,68 6.403,69 4.576}
{0 CHEMBL2334726,1 1,2 7,3 1,4 19.099,5 231.386,6 8,7 261.398,8 1,9 6.99,10 1,11 36.022,12 0.554,13 4.937,14 1,15 4.067,16 0.147,17 3.696,18 1,19 1322,20 8.486,21 167.984,22 1.449,23 1.498,24 2,25 0.159,26 4.8,27 27.301,28 1,29 0.344,30 4.951,31 1,32 1.308,33 0.919,34 2,35 7608,36 4.693,37 54.554,38 7.203,39 261.066,40 47,41 19,42 2,43 48,44 1.072,45 0.063,46 41346,47 0.959,48 1.89,49 28.93,50 1.751,51 1.322,52 1.063,53 1.022,54 108,55 16.715,56 -0.036,57 6,58 4.536,59 200.109,60 200.109,61 207.868,62 200.109,63 4.004,64 4.004,65 9.962,66 9.962,67 9.962,68 6.403,69 4.143}
{0 CHEMBL2334727,1 1,2 8,3 1,4 20.038,5 231.386,6 9,7 273.17,8 1,9 7.412,10 1,11 36.022,12 0.557,13 5.079,14 1,15 4.067,16 0.135,17 3.785,18 1,19 1606,20 8.764,21 179.756,22 1.465,23 1.53,24 2,25 0.249,26 5.071,27 30.476,28 0.83,29 0.385,30 5.056,31 1,32 1.315,33 0.928,34 2,35 8870,36 4.765,37 58.309,38 7.82,39 282.193,40 50,41 20,42 3,43 51,44 1.057,45 0.043,46 51592,47 1.072,48 1.89,49 31.98,50 1.741,51 1.367,52 1.069,53 1.041,54 124,55 18.681,56 -0.063,57 6,58 4.608,59 211.88,60 211.88,61 221.819,62 211.88,63 4.191,64 4.191,65 11.927,66 11.927,67 11.927,68 7.207,69 4.471}
{0 CHEMBL2334728,1 1,2 9,3 1,4 18.811,5 231.386,6 10,7 261.398,9 8.054,11 36.022,12 0.557,13 5.105,15 4.067,16 0.138,17 3.902,18 0.75,19 2238,20 8.563,21 167.984,22 1.465,23 1.552,24 2,25 0.268,26 4.829,27 35.519,28 0.83,29 0.479,30 5.166,32 1.389,33 0.918,34 2,35 11574,36 4.855,37 62.743,38 8.711,39 303.58,40 53,41 19,42 4,43 54,44 1.101,45 0.049,46 80484,47 1.354,48 1.89,49 32.483,50 1.855,51 1.436,52 1.101,53 1.078,54 160,55 26.404,56 -0.049,57 6,58 4.711,59 200.109,60 200.109,61 211.516,62 200.109,63 4.799,64 4.799,65 16.764,66 16.764,67 16.764,68 8.712,69 4.08}
{0 CHEMBL2334729,1 1,2 7,3 1,4 19.131,5 243.158,6 7,7 273.17,8 1,9 6.08,10 1,11 36.022,12 0.58,13 5.044,14 1,15 4.066,16 0.151,17 3.473,18 1,19 810,20 8.732,21 167.984,22 1.558,23 1.524,24 2,25 0.151,26 5.081,27 20.896,28 1,29 0.393,30 4.838,31 1,32 1.261,33 0.911,34 2,35 5394,36 4.586,37 50.12,38 6.352,39 240.215,40 44,41 20,42 4,43 45,44 1.09,45 0.056,46 20210,47 0.708,48 1.89,49 27.095,50 1.555,51 1.241,52 1.062,53 1.016,54 80,55 16.525,56 0.059,57 5,58 4.412,59 211.88,60 211.88,61 211.88,62 211.88,63 3.989,64 3.989,65 9.833,66 9.833,67 9.833,68 6.362,69 4.69}
{0 CHEMBL2334730,1 1,2 8,3 1,4 20.806,5 266.7,6 8,7 296.712,8 1,9 6.337,10 1,11 36.022,12 0.756,13 5.123,14 1,15 4.066,16 0.146,17 3.544,18 1,19 931,20 9.641,21 156.213,22 1.596,23 1.594,24 2,25 0.156,26 5.62,27 22.989,28 1,29 0.378,30 4.936,31 1,32 1.287,33 0.967,34 2,35 5922,36 4.657,37 53.535,38 6.898,39 261.066,40 47,41 22,42 4,43 48,44 1.064,45 0.127,46 21593,47 0.746,48 1.89,49 30.421,50 1.541,51 1.333,52 1.066,53 1.027,54 97,55 16.526,56 0.13,57 5,58 4.479,59 235.422,60 235.422,61 235.422,62 235.422,63 3.989,64 3.989,65 9.833,66 9.833,67 9.833,68 6.362,69 4.851}
{0 CHEMBL2334731,1 1,2 9,3 1,4 22.521,5 290.242,6 9,7 320.254,8 1,9 6.633,10 1,11 36.022,12 0.757,13 5.199,14 1,15 4.066,16 0.14,17 3.622,18 1,19 1062,20 10.542,21 191.527,22 1.601,23 1.613,24 2,25 0.27,26 6.154,27 25.373,28 1,29 0.364,30 5.016,31 1,32 1.371,33 0.996,34 2,35 6498,36 4.724,37 56.95,38 7.42,39 282.193,40 50,41 24,42 5,43 51,44 1.051,45 0.093,46 23160,47 0.784,48 1.89,49 32.69,50 1.526,51 1.396,52 1.076,53 1.051,54 114,55 16.526,56 0.113,57 8,58 4.541,59 258.964,60 258.964,61 258.964,62 258.964,63 3.989,64 3.989,65 9.833,66 9.833,67 9.833,68 6.362,69 4.716}
{0 CHEMBL2334732,1 1,2 8,3 1,4 22.494,5 290.242,6 9,7 320.254,8 1,9 6.539,10 1,11 36.022,12 0.756,13 5.023,14 1,15 4.067,16 0.14,17 3.589,18 1,19 1042,20 10.532,21 144.442,22 1.598,23 1.602,24 2,25 0.271,26 6.154,27 24.544,28 1,29 0.364,30 5.015,31 1,32 1.308,33 0.966,34 2,35 6452,36 4.724,37 56.95,38 7.289,39 282.193,40 50,41 24,42 5,43 51,44 1.042,45 0.103,46 22980,47 0.784,48 1.89,49 32.89,50 1.57,51 1.339,52 1.066,53 1.03,54 92,55 16.527,56 0.075,57 5,58 4.541,59 258.964,60 258.964,61 258.964,62 258.964,63 3.989,64 3.989,65 9.833,66 9.833,67 9.833,68 6.362,69 4.492}
{0 CHEMBL2334733,1 1,2 10,3 1,4 24.196,5 313.784,6 10,7 343.796,8 1,9 6.962,10 1,11 36.022,12 0.759,13 5.157,14 1,15 4.067,16 0.135,17 3.703,18 1,19 1229,20 11.433,21 215.069,22 1.612,23 1.631,24 2,25 0.273,26 6.683,27 27.761,28 0.83,29 0.351,30 5.091,32 1.491,33 1.022,34 2,35 7123,36 4.787,37 60.365,38 7.92,39 303.58,40 53,41 26,42 6,43 54,44 1.066,45 0.09,46 24915,47 0.823,48 1.89,49 34.933,50 1.51,51 1.472,52 1.194,53 1.136,54 132,55 16.526,56 0.11,57 10,58 4.599,59 282.506,60 282.506,61 282.506,62 282.506,63 3.989,64 3.989,65 9.833,66 9.833,67 9.833,68 6.362,69 4.708}
{0 CHEMBL2334734,1 1,2 9,3 1,4 24.221,5 313.784,6 10,7 343.796,8 1,9 6.868,10 1,11 36.022,12 0.757,13 5.105,14 1,15 4.067,16 0.135,17 3.672,18 1,19 1208,20 11.436,21 226.84,22 1.603,23 1.619,24 2,25 0.375,26 6.683,27 26.897,28 1,29 0.351,30 5.081,31 1,32 1.379,33 0.976,34 2,35 7076,36 4.787,37 60.365,38 7.786,39 303.58,40 53,41 26,42 4,43 54,44 1.04,45 -0.014,46 24731,47 0.823,48 1.89,49 34.368,50 1.561,51 1.408,52 1.082,53 1.063,54 109,55 16.526,56 -0.004,57 11,58 4.599,59 282.506,60 282.506,61 282.506,62 282.506,63 3.989,64 3.989,65 9.833,66 9.833,67 9.833,68 6.362,69 4.583}
{0 CHEMBL2334735,1 1,2 8,3 1,4 21.497,5 294.077,6 8,7 324.089,8 1,9 6.633,10 1,11 36.022,12 0.756,13 5.182,14 1,15 4.066,16 0.14,17 3.622,18 1,19 1062,20 9.5,21 179.756,22 1.589,23 1.584,24 2,25 0.153,26 5.349,27 25.373,28 1,29 0.364,30 4.934,31 1,32 1.275,33 0.992,34 2,35 6498,36 4.655,37 53.479,38 7.283,39 261.066,40 47,41 21,42 4,43 48,44 1.054,45 0.063,46 28140,47 0.735,48 1.89,49 32.81,50 1.526,51 1.317,52 1.066,53 1.027,54 114,55 16.526,56 0.086,57 5,58 4.489,59 223.651,60 223.651,61 223.651,62 223.651,63 3.989,64 3.989,65 9.833,66 9.833,67 9.833,68 6.362,69 4.267}
{0 CHEMBL2334736,1 1,2 8,3 1,4 28.085,5 231.386,6 8,7 378.844,8 1,9 7.056,11 36.022,12 0.753,13 5.123,15 4.066,16 0.131,17 3.708,18 0.88,19 1344,20 9.036,21 156.213,22 1.516,23 1.553,24 2,25 0.151,26 4.752,27 28.143,28 0.83,29 0.343,30 4.931,32 1.263,33 0.864,34 2,35 7656,36 4.652,37 53.367,38 7.784,39 261.066,40 47,41 19,42 4,43 48,44 1.051,45 -0.055,46 41570,47 0.714,48 1.89,49 36.984,50 1.734,51 1.28,52 1.065,53 1.028,54 108,55 16.654,56 -0.005,57 5,58 4.513,59 200.109,60 200.109,61 200.109,62 200.109,63 3.989,64 3.989,65 9.961,66 9.961,67 9.961,68 6.397,69 4.203}
{0 CHEMBL2334737,1 1,2 8,3 1,4 18.931,5 231.386,6 8,7 261.398,8 1,9 7.056,10 1,11 36.022,12 0.743,13 5.123,14 1,15 4.066,16 0.147,17 3.708,18 1,19 1344,20 8.486,21 156.213,22 1.554,23 1.575,24 2,25 0.151,26 4.8,27 28.143,28 1,29 0.343,30 4.962,31 1,32 1.268,33 0.975,34 2,35 7656,36 4.693,37 54.554,38 7.325,39 261.066,40 47,41 19,42 4,43 48,44 1.112,45 0.137,46 41570,47 0.959,48 1.89,49 30.457,50 1.734,51 1.338,52 1.065,53 1.025,54 108,55 16.654,56 0.075,57 5,58 4.536,59 200.109,60 200.109,61 207.868,62 200.109,63 3.989,64 3.989,65 9.961,66 9.961,67 9.961,68 6.397,69 4.229}
{0 CHEMBL2334738,1 1,2 9,3 1,4 19.856,5 231.386,6 9,7 273.17,8 1,9 7.472,10 1,11 36.022,12 0.756,13 5.254,14 1,15 4.067,16 0.135,17 3.794,18 1,19 1630,20 8.763,21 167.984,22 1.588,23 1.603,24 2,25 0.243,26 5.071,27 31.467,28 0.83,29 0.385,30 5.066,31 1,32 1.339,33 0.982,34 2,35 8920,36 4.765,37 58.309,38 7.941,39 282.193,40 50,41 20,42 5,43 51,44 1.095,45 0.11,46 51836,47 1.072,48 1.89,49 33.585,50 1.736,51 1.4,52 1.069,53 1.043,54 124,55 18.623,56 0.04,57 5,58 4.608,59 211.88,60 211.88,61 221.819,62 211.88,63 4.191,64 4.191,65 11.927,66 11.927,67 11.927,68 7.207,69 4.357}
{0 CHEMBL2334739,1 1,2 10,3 1,4 18.503,5 231.386,6 10,7 261.398,9 8.106,11 36.022,12 0.756,13 5.27,15 4.067,16 0.138,17 3.909,18 0.75,19 2266,20 8.56,21 156.213,22 1.587,23 1.614,24 2,25 0.255,26 4.829,27 36.156,28 0.67,29 0.479,30 5.174,32 1.421,33 0.971,34 2,35 11628,36 4.854,37 62.743,38 8.833,39 303.58,40 53,41 19,42 6,43 54,44 1.14,45 0.109,46 80780,47 1.354,48 1.89,49 34.714,50 1.857,51 1.481,52 1.122,53 1.103,54 160,55 26.404,56 0.057,57 5,58 4.711,59 200.109,60 200.109,61 211.516,62 200.109,63 4.799,64 4.799,65 16.764,66 16.764,67 16.764,68 8.712,69 4.224}
{0 CHEMBL2334740,1 1,2 6,3 1,4 19.195,5 243.158,6 7,7 273.17,8 1,9 5.995,10 1,11 36.022,12 0.541,13 4.845,14 1,15 4.066,16 0.152,17 3.454,18 1,19 792,20 8.732,21 179.756,22 1.448,23 1.455,24 2,25 0.159,26 5.081,27 20.083,28 1,29 0.394,30 4.826,31 1,32 1.308,33 0.854,34 2,35 5350,36 4.586,37 50.12,38 6.231,39 240.215,40 44,41 20,42 2,43 45,44 1.05,45 -0.029,46 20038,47 0.708,48 1.89,49 26.227,50 1.577,51 1.241,52 1.058,53 1.002,54 80,55 16.614,56 -0.047,57 6,58 4.412,59 211.88,60 211.88,61 211.88,62 211.88,63 4.003,64 4.003,65 9.862,66 9.862,67 9.862,68 6.397,69 4.495}
{0 CHEMBL2334741,1 1,2 7,3 1,4 20.853,5 266.7,6 8,7 296.712,8 1,9 6.258,10 1,11 36.022,12 0.557,13 4.937,14 1,15 4.067,16 0.146,17 3.528,18 1,19 912,20 9.642,21 167.984,22 1.47,23 1.516,24 2,25 0.161,26 5.62,27 22.138,28 1,29 0.379,30 4.925,31 1,32 1.308,33 0.914,34 2,35 5877,36 4.657,37 53.535,38 6.776,39 261.066,40 47,41 22,42 2,43 48,44 1.027,45 0.05,46 21417,47 0.746,48 1.89,49 29.691,50 1.575,51 1.318,52 1.065,53 1.026,54 97,55 16.615,56 0.036,57 6,58 4.479,59 235.422,60 235.422,61 235.422,62 235.422,63 4.003,64 4.003,65 9.862,66 9.862,67 9.862,68 6.397,69 4.449}
{0 CHEMBL2334742,1 1,2 8,3 1,4 22.556,5 290.242,6 9,7 320.254,8 1,9 6.559,10 1,11 36.022,12 0.561,13 5.023,14 1,15 4.067,16 0.141,17 3.609,18 1,19 1042,20 10.544,21 203.298,22 1.485,23 1.545,24 2,25 0.373,26 6.154,27 24.544,28 1,29 0.365,30 5.006,31 1,32 1.341,33 0.947,34 2,35 6452,36 4.724,37 56.95,38 7.298,39 282.193,40 50,41 24,42 3,43 51,44 1.016,45 0.023,46 22980,47 0.784,48 1.89,49 32.076,50 1.57,51 1.364,52 1.073,53 1.047,54 114,55 16.615,56 0.028,57 9,58 4.541,59 258.964,60 258.964,61 258.964,62 258.964,63 4.003,64 4.003,65 9.862,66 9.862,67 9.862,68 6.397,69 4.152}
{0 CHEMBL2334743,1 1,2 7,3 1,4 22.528,5 290.242,6 9,7 320.254,8 1,9 6.464,10 1,11 36.022,12 0.558,13 4.848,14 1,15 4.067,16 0.141,17 3.576,18 1,19 1022,20 10.534,21 156.213,22 1.471,23 1.524,24 2,25 0.373,26 6.154,27 23.716,28 1,29 0.365,30 5.005,31 1,32 1.308,33 0.917,34 2,35 6406,36 4.724,37 56.95,38 7.167,39 282.193,40 50,41 24,42 3,43 51,44 1.007,45 0.032,46 22800,47 0.784,48 1.89,49 32.276,50 1.577,51 1.322,52 1.066,53 1.029,54 92,55 16.615,56 -0.009,57 6,58 4.541,59 258.964,60 258.964,61 258.964,62 258.964,63 4.003,64 4.003,65 9.862,66 9.862,67 9.862,68 6.397,69 4.386}
{0 CHEMBL2334744,1 1,2 9,3 1,4 24.221,5 313.784,6 10,7 343.796,8 1,9 6.893,10 1,11 36.022,12 0.712,13 5.105,14 1,15 4.067,16 0.136,17 3.691,18 1,19 1208,20 11.436,21 226.84,22 1.567,23 1.586,24 2,25 0.373,26 6.683,27 26.897,28 1,29 0.352,30 5.081,31 1,32 1.447,33 0.976,34 2,35 7076,36 4.787,37 60.365,38 7.798,39 303.58,40 53,41 26,42 4,43 54,44 1.033,45 0.025,46 24731,47 0.823,48 1.89,49 34.42,50 1.561,51 1.428,52 1.157,53 1.1,54 132,55 16.615,56 0.034,57 11,58 4.599,59 282.506,60 282.506,61 282.506,62 282.506,63 4.003,64 4.003,65 9.862,66 9.862,67 9.862,68 6.397,69 4.204}
{0 CHEMBL2334745,1 1,2 8,3 1,4 24.246,5 313.784,6 10,7 343.796,8 1,9 6.798,10 1,11 36.022,12 0.562,13 4.94,14 1,15 4.067,16 0.136,17 3.66,18 1,19 1187,20 11.439,21 238.611,22 1.487,23 1.554,24 2,25 0.458,26 6.683,27 26.036,28 1,29 0.352,30 5.071,31 1,32 1.345,33 0.931,34 2,35 7029,36 4.787,37 60.365,38 7.664,39 303.58,40 53,41 26,42 2,43 54,44 1.007,45 -0.079,46 24547,47 0.823,48 1.89,49 33.855,50 1.579,51 1.371,52 1.076,53 1.054,54 109,55 16.615,56 -0.08,57 12,58 4.599,59 282.506,60 282.506,61 282.506,62 282.506,63 4.003,64 4.003,65 9.862,66 9.862,67 9.862,68 6.397,69 4.386}
{0 CHEMBL2334746,1 1,2 7,3 1,4 21.613,5 294.077,6 8,7 324.089,8 1,9 6.559,10 1,11 36.022,12 0.557,13 4.996,14 1,15 4.067,16 0.141,17 3.609,18 1,19 1042,20 9.5,21 191.527,22 1.464,23 1.506,24 2,25 0.16,26 5.349,27 24.544,28 1,29 0.365,30 4.923,31 1,32 1.308,33 0.941,34 2,35 6452,36 4.656,37 53.479,38 7.161,39 261.066,40 47,41 21,42 2,43 48,44 1.018,45 -0.017,46 27948,47 0.735,48 1.89,49 31.588,50 1.57,51 1.307,52 1.065,53 1.026,54 114,55 16.615,56 -0.013,57 6,58 4.489,59 223.651,60 223.651,61 223.651,62 223.651,63 4.003,64 4.003,65 9.862,66 9.862,67 9.862,68 6.397,69 4.266}
{0 CHEMBL2337261,2 3,3 1,4 9.908,5 148.989,6 1,7 214.078,8 1,9 5.557,10 1,12 0.218,13 4.658,14 1,15 4.005,16 0.137,17 3.369,18 1,19 511,20 4.801,21 117.711,22 1.163,23 1.233,26 2.971,27 16.73,28 1,29 0.44,30 4.325,31 1,32 1.131,33 0.798,34 4,35 6977,36 4.154,37 36.621,38 4.028,39 166.465,40 33,41 12,43 35,44 0.803,45 -0.006,46 14749,47 0.453,48 1.901,49 11.453,50 1.418,51 1.137,52 0.886,53 0.839,54 74,55 16.956,56 -0.081,58 4.056,59 117.711,60 117.711,61 117.711,62 117.711,63 4.01,64 4.01,65 10.131,66 10.131,67 10.131,68 6.492,69 4.016}
{0 CHEMBL2337263,2 4,3 1,4 12.816,5 172.531,6 2,7 248.62,8 1,9 5.514,10 1,12 0.446,13 4.736,14 1,15 4.011,16 0.129,17 3.322,18 1,19 686,20 5.489,21 141.253,22 1.2,23 1.315,25 0.056,26 3.472,27 17.89,28 1,29 0.418,30 4.397,31 1,32 1.274,33 0.689,34 4,35 8845,36 4.297,37 41.245,38 4.476,39 192.75,40 37,41 14,43 39,44 0.984,45 0.005,46 17795,47 0.511,48 1.897,49 12.449,50 1.478,51 1.234,52 1.083,53 1.012,54 75,55 17.367,56 -0.053,58 4.188,59 141.253,60 141.253,61 141.253,62 141.253,63 4.059,64 4.059,65 10.449,66 10.449,67 10.449,68 6.573,69 4.199}
{0 CHEMBL2337265,2 2,3 1,4 5.854,5 101.904,7 241.36,8 1,9 5.353,10 1,12 0.153,13 4.89,14 1,15 4.005,16 0.137,17 3.296,18 1,19 493,20 3.785,21 70.627,22 1.128,23 1.131,26 2.197,27 15.642,28 1,29 0.441,30 4.314,31 1,32 1.13,33 0.9,34 6,35 6897,36 4.032,37 34.415,38 3.889,39 153.58,40 31,41 10,43 33,44 0.916,45 -0.047,46 16385,47 0.431,48 1.894,49 9.471,50 1.51,51 1.133,52 0.883,53 0.839,54 61,55 16.971,56 -0.143,58 3.97,59 70.627,60 70.627,61 70.627,62 70.627,63 4.018,64 4.018,65 10.14,66 10.14,67 10.14,68 6.494,69 5.666}
{0 CHEMBL2337267,2 2,3 1,4 7.764,5 113.675,7 167.764,8 1,9 5.119,10 1,12 0.182,13 4.89,14 1,15 4.006,16 0.143,17 3.22,18 1,19 446,20 4.499,21 82.398,22 1.159,23 1.235,26 2.556,27 14.13,28 1,29 0.461,30 4.319,31 1,32 1.131,33 0.906,34 6,35 6022,36 4.06,37 34.495,38 3.752,39 153.58,40 31,41 11,43 33,44 0.97,45 -0.053,46 12412,47 0.462,48 1.908,49 10.927,50 1.441,51 1.14,52 0.883,53 0.839,54 56,55 16.965,56 -0.134,58 3.966,59 82.398,60 82.398,61 82.398,62 82.398,63 4.012,64 4.012,65 10.136,66 10.136,67 10.136,68 6.493,69 4.074}
{0 CHEMBL2337268,2 3,3 1,4 4.964,5 113.675,7 218.511,8 1,9 5.313,10 1,12 0.212,13 4.89,14 1,15 4.041,16 0.158,17 3.259,18 1,19 578,20 3.568,21 82.398,22 1.159,23 1.284,26 2.177,27 16.273,28 1,29 0.445,30 4.319,31 1,32 1.131,33 0.936,34 4,35 7934,36 4.06,37 34.498,38 3.86,39 153.58,40 31,41 9,43 33,44 0.93,45 -0.024,46 18764,47 0.463,48 1.928,49 8.523,50 1.495,51 1.141,52 0.883,53 0.839,54 68,55 17.753,56 -0.039,58 3.996,59 82.398,60 82.398,61 82.398,62 82.398,63 4.082,64 4.082,65 10.678,66 10.678,67 10.678,68 6.657,69 4.242}
{0 CHEMBL2337269,2 3,3 1,4 4.964,5 113.675,7 218.511,8 1,9 5.55,10 1,12 0.212,13 4.89,14 1,15 4.034,16 0.157,17 3.346,18 1,19 590,20 3.568,21 82.398,22 1.159,23 1.261,26 2.177,27 17.074,28 1,29 0.423,30 4.319,31 1,32 1.131,33 0.936,34 4,35 7934,36 4.06,37 34.498,38 3.859,39 153.58,40 31,41 9,43 33,44 0.935,45 -0.047,46 19772,47 0.463,48 1.927,49 8.253,50 1.495,51 1.14,52 0.883,53 0.839,54 68,55 16.973,56 -0.096,58 3.996,59 82.398,60 82.398,61 82.398,62 82.398,63 4.017,64 4.017,65 10.141,66 10.141,67 10.141,68 6.494,69 4.493}
{0 CHEMBL2337271,2 6,3 1,4 25.247,5 341.362,6 11,7 388.507,8 1,9 7.272,10 1,12 0.825,13 4.929,14 1,15 4.062,16 0.122,17 3.771,18 1,19 1222,20 13.447,21 294.278,22 1.575,23 1.539,25 0.574,26 7.879,27 30.378,28 1,29 0.352,30 5.193,32 1.534,33 0.926,35 25383,36 4.897,37 63.939,38 7.591,39 332.475,40 57,41 29,42 4,43 60,44 1.131,45 -0.136,46 23969,47 0.759,48 1.935,49 33.172,50 1.333,51 1.521,52 1.221,53 1.159,54 122,55 18.021,56 -0.12,57 5,58 4.715,59 341.362,60 341.362,61 341.362,62 341.362,63 4.227,64 4.227,65 10.926,66 10.926,67 10.926,68 6.724,69 5.124}
{0 CHEMBL2337272,2 2,3 1,4 9.528,5 148.989,6 1,7 203.078,8 1,9 5.119,10 1,12 0.215,13 4.851,14 1,15 4.009,16 0.143,17 3.22,18 1,19 446,20 5.262,21 117.711,22 1.159,23 1.258,26 3.06,27 14.13,28 1,29 0.461,30 4.334,31 1,32 1.131,33 0.852,34 4,35 6022,36 4.12,37 35.411,38 3.934,39 160,40 32,41 12,43 34,44 0.969,45 -0.086,46 11508,47 0.434,48 1.927,49 11.794,50 1.441,51 1.14,52 0.883,53 0.839,54 56,55 16.965,56 -0.161,57 3,58 4.01,59 117.711,60 117.711,61 117.711,62 117.711,63 4.012,64 4.012,65 10.136,66 10.136,67 10.136,68 6.493,69 4.769}
{0 CHEMBL2337276,2 2,3 1,4 1.342,5 101.904,7 234.291,8 1,9 5.185,10 1,12 0.152,13 4.858,14 1,15 4.005,16 0.142,17 3.23,18 1,19 487,20 3.049,21 70.627,22 1.124,23 1.131,26 1.839,27 15.152,28 1,29 0.449,30 4.24,31 1,32 1.01,33 0.808,34 4,35 6897,36 3.984,37 31.884,38 4.224,39 140.881,40 29,41 8,43 31,44 0.857,45 -0.037,46 17617,47 0.369,48 1.897,49 8.757,50 1.51,51 0.984,52 0.849,53 0.827,54 61,55 17.209,56 -0.109,58 3.929,59 70.627,60 70.627,61 70.627,62 70.627,63 4.038,64 4.038,65 10.323,66 10.323,67 10.323,68 6.547,69 4.72}
{0 CHEMBL2337278,2 2,3 1,4 5.332,5 113.675,6 1,7 167.764,8 1,9 5.996,10 1,12 0.218,13 4.601,14 1,15 4.014,16 0.178,17 3.467,18 1,19 685,20 3.769,21 82.398,22 1.16,23 1.132,26 2.303,27 19.928,28 1,29 0.466,30 4.36,31 1,32 1.107,33 0.895,34 4,35 8893,36 4.18,37 36.431,38 4.507,39 160,40 32,41 9,43 34,44 0.917,45 -0.091,46 25765,47 0.68,48 1.919,49 7.21,50 1.72,51 1.115,52 0.883,53 0.821,54 75,55 18.571,56 -0.127,58 4.101,59 82.398,60 82.398,61 90.157,62 82.398,63 4.176,64 4.176,65 11.659,66 11.659,67 11.659,68 7.111,69 4.577}
{0 CHEMBL2337280,2 3,3 1,4 9.908,5 148.989,6 1,7 214.078,8 1,9 5.365,10 1,12 0.215,13 4.9,14 1,15 4.005,16 0.137,17 3.299,18 1,19 501,20 4.801,21 117.711,22 1.159,23 1.274,26 2.971,27 15.85,28 1,29 0.441,30 4.325,31 1,32 1.131,33 0.798,34 4,35 6977,36 4.154,37 36.621,38 4.028,39 166.465,40 33,41 12,43 35,44 0.991,45 -0.006,46 14301,47 0.453,48 1.901,49 11.453,50 1.418,51 1.141,52 0.883,53 0.839,54 63,55 16.967,56 -0.081,58 4.056,59 117.711,60 117.711,61 117.711,62 117.711,63 4.012,64 4.012,65 10.137,66 10.137,67 10.137,68 6.493,69 4.564}
{0 CHEMBL243254,2 2,3 1,4 5.854,5 101.904,7 241.36,8 1,9 5.275,10 1,12 0.156,13 3.986,14 1,15 4.006,16 0.138,17 3.271,18 1,19 490,20 3.785,21 70.627,22 1.131,23 1.132,26 2.197,27 15.492,28 1,29 0.448,30 4.314,31 1,32 1.131,33 0.9,34 8,35 6897,36 4.032,37 34.415,38 3.889,39 153.58,40 31,41 10,43 33,44 0.884,45 -0.041,46 16085,47 0.431,48 1.894,49 9.54,50 1.51,51 1.137,52 0.883,53 0.839,54 61,55 17.21,56 -0.124,58 3.97,59 70.627,60 70.627,61 70.627,62 70.627,63 4.044,64 4.044,65 10.303,66 10.303,67 10.303,68 6.542,69 4.573}
{0 CHEMBL246681,1 1,3 1,4 7.046,5 82.398,7 119.314,8 1,9 3.846,10 1,12 0.22,13 4.789,14 1,15 4.158,16 0.167,17 2.707,18 1,19 272,20 4.503,21 94.169,22 1.207,23 1.197,26 2.509,27 9.069,28 0.83,29 0.563,30 4.383,31 1,32 0.972,33 0.799,34 2,35 14818,36 4.085,37 31.867,38 3.344,39 140.881,40 29,41 10,43 32,44 1.331,45 -0.046,46 7801,47 0.371,48 2.123,49 10.646,50 1.378,51 0.949,52 0.702,53 0.628,54 41,55 20.377,56 -0.014,58 3.979,59 94.169,60 94.169,61 94.169,62 94.169,63 4.385,64 4.385,65 12.377,66 12.377,67 12.377,68 7.117,69 4}
{0 CHEMBL251940,2 4,3 1,4 21.364,5 291.184,6 8,7 301.648,8 1,9 6.056,10 1,11 16.602,12 0.825,13 5.084,14 1,15 4.037,16 0.159,17 3.455,18 1,19 1124,20 10.92,21 188.338,22 1.513,23 1.429,25 0.259,26 6.243,27 22.864,28 1,29 0.392,30 5.1,31 1,32 1.392,33 0.94,34 2,35 22635,36 4.723,37 54.776,38 6.884,39 275.121,40 49,41 23,42 4,43 52,44 1.031,45 0.071,46 19541,47 0.705,48 1.99,49 33.987,50 1.239,51 1.376,52 1.153,53 1.064,54 114,55 18.916,56 0.044,58 4.548,59 258.964,60 258.964,61 258.964,62 258.964,63 4.17,64 4.17,65 11.382,66 11.382,67 11.382,68 6.837,69 6.638}
{0 CHEMBL253386,1 2,2 4,3 1,4 19.67,5 247.193,6 7,7 283.338,8 1,9 5.098,10 1,12 0.772,13 5.054,14 1,15 4.142,16 0.124,17 3.131,18 1,19 1083,20 11.059,21 213.595,22 1.619,23 1.59,25 0.218,26 6.178,27 20.346,28 1,29 0.422,30 4.992,31 1,32 1.394,33 0.883,34 2,35 22581,36 4.718,37 56.066,38 6.57,39 282.193,40 50,41 23,42 4,43 53,44 1.15,45 0.123,46 16897,47 0.708,48 2.082,49 25.98,50 1.447,51 1.369,52 1.136,53 1.066,54 95,55 20.359,56 0.165,57 6,58 4.548,59 247.193,60 247.193,61 247.193,62 247.193,63 4.393,64 4.393,65 12.664,66 12.664,67 12.664,68 7.192,69 5.3}
{0 CHEMBL255304,1 2,2 9,3 1,4 25.678,5 329.591,6 9,7 408.419,9 9.106,10 1,11 36.022,12 0.824,13 5.613,15 4.114,16 0.096,17 4.048,18 1,19 1965,20 14.076,21 282.506,22 1.668,23 1.7,24 2,25 0.596,26 8.177,27 36.292,28 1,29 0.315,30 5.285,32 1.553,33 1.026,34 6,35 38240,36 4.952,37 71.936,38 8.251,39 384,40 64,41 31,42 6,43 67,44 1.173,45 0.021,46 45420,47 0.891,48 2.072,49 35.706,50 1.241,51 1.538,52 1.315,53 1.254,54 157,55 18.879,56 0.046,57 6,58 4.775,59 329.591,60 329.591,61 329.591,62 329.591,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.009}
{0 CHEMBL255502,1 2,2 8,3 1,4 24.089,5 306.049,6 8,7 384.877,8 1,9 8.605,10 1,11 36.022,12 0.759,13 5.623,15 4.114,16 0.099,17 3.965,18 1,19 1778,20 13.128,21 282.506,22 1.636,23 1.659,24 2,25 0.564,26 7.631,27 33.66,28 1,29 0.324,30 5.224,32 1.528,33 1.007,34 6,35 35585,36 4.899,37 68.521,38 7.751,39 361.775,40 61,41 29,42 5,43 64,44 1.197,45 0.017,46 41221,47 0.852,48 2.072,49 33.523,50 1.259,51 1.513,52 1.273,53 1.218,54 146,55 18.879,56 0.04,57 6,58 4.726,59 306.049,60 306.049,61 306.049,62 306.049,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.507}
{0 CHEMBL256919,1 2,2 13,3 0.5,4 31.788,5 423.76,6 13,7 502.588,9 11.086,11 36.022,12 1.095,13 5.659,15 4.116,16 0.086,17 4.34,18 0.75,19 2851,20 17.756,21 376.675,22 1.882,23 1.852,24 2,25 0.659,26 10.322,27 48.11,28 0.67,29 0.284,30 5.497,32 1.693,33 1.089,34 6,35 49850,36 5.139,37 85.597,38 10.251,39 474.842,40 76,41 39,42 10,43 79,44 1.115,45 0.03,46 64456,47 1.048,48 2.072,49 43.88,50 1.172,51 1.693,52 1.486,53 1.444,54 205,55 18.879,56 0.058,57 14,58 4.95,59 423.76,60 423.76,61 423.76,62 423.76,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.562}
{0 CHEMBL258744,1 2,2 4,3 1,4 17.051,5 211.88,6 7,7 211.88,8 1,9 4.437,10 1,11 18.011,12 0.635,13 4.922,14 1,15 4.111,16 0.16,17 2.956,18 1,19 436,20 9.737,21 188.338,22 1.441,23 1.381,24 1,25 0.168,26 5.532,27 12.576,28 1,29 0.54,30 4.893,31 1,32 1.335,33 1.074,34 4,35 7031,36 4.529,37 45.232,38 5.43,39 212.877,40 40,41 21,42 5,43 42,44 1.27,45 0.089,46 5726,47 0.596,48 2.072,49 23.201,50 1.105,51 1.303,52 1.026,53 0.916,54 65,55 18.879,56 0.119,57 6,58 4.326,59 211.88,60 211.88,61 211.88,62 211.88,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.706}
{0 CHEMBL258893,1 1,2 2,3 1,4 17.529,5 176.567,6 4,7 255.879,8 1,9 5.325,10 1,12 0.58,13 4.908,14 1,15 4.251,16 0.115,17 3.277,18 0.88,19 814,20 7.59,21 211.88,22 1.574,23 1.537,25 0.363,26 4.74,27 19.947,28 1,29 0.407,30 4.68,31 1,32 1.487,33 0.541,35 53206,36 4.606,37 48.865,38 5.208,39 240.215,40 44,41 18,43 48,44 1.164,45 -0.042,46 19446,47 0.573,48 2.2,49 16.633,50 1.399,51 1.515,52 1.177,53 1.107,54 84,55 19.957,56 -0.038,58 4.476,59 211.88,60 211.88,61 211.88,62 211.88,63 4.353,64 4.353,65 12.208,66 12.208,67 12.208,68 7.069,69 5.199}
{0 CHEMBL258926,1 2,2 5,3 1,4 18.495,5 235.422,6 8,7 235.422,8 1,9 4.821,10 1,11 18.011,12 0.741,13 5.008,14 1,15 4.112,16 0.153,17 3.107,18 1,19 532,20 10.629,21 188.338,22 1.456,23 1.395,24 1,25 0.202,26 6.059,27 14.72,28 1,29 0.516,30 4.976,31 1,32 1.381,33 1.099,34 4,35 7958,36 4.605,37 48.647,38 5.93,39 233.329,40 43,41 23,42 6,43 45,44 1.2,45 0.086,46 6601,47 0.635,48 2.072,49 25.053,50 1.076,51 1.341,52 1.123,53 1.041,54 78,55 18.879,56 0.115,57 6,58 4.398,59 235.422,60 235.422,61 235.422,62 235.422,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.64}
{0 CHEMBL258928,1 2,2 9,3 1,4 24.045,5 329.591,6 12,7 329.591,8 1,9 6.56,10 1,11 18.011,12 0.901,13 5.127,15 4.113,16 0.129,17 3.603,18 1,19 976,20 14.085,21 282.506,22 1.657,23 1.632,24 1,25 0.546,26 8.122,27 24,28 1,29 0.436,30 5.255,32 1.44,33 1.175,34 4,35 12446,36 4.861,37 62.308,38 7.93,39 317.975,40 55,41 31,42 10,43 57,44 1.134,45 0.074,46 11341,47 0.789,48 2.072,49 32.068,50 0.974,51 1.415,52 1.225,53 1.157,54 130,55 18.879,56 0.1,57 14,58 4.644,59 329.591,60 329.591,61 329.591,62 329.591,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.553}
{0 CHEMBL295124,1 1,2 2,3 1,4 17.724,5 176.567,6 5,7 255.879,8 1,9 5.386,10 1,12 0.578,13 4.926,14 1,15 4.168,16 0.118,17 3.301,18 0.88,19 735,20 7.807,21 188.338,22 1.575,23 1.539,25 0.307,26 4.766,27 19.136,28 1,29 0.39,30 4.734,31 1,32 1.485,33 0.639,35 49516,36 4.608,37 47.865,38 5.392,39 233.329,40 43,41 18,42 1,43 47,44 1.129,45 -0.029,46 18054,47 0.57,48 2.108,49 18.488,50 1.311,51 1.51,52 1.162,53 1.119,54 79,55 18.611,56 -0.034,58 4.475,59 211.88,60 211.88,61 211.88,62 211.88,63 4.245,64 4.245,65 11.312,66 11.312,67 11.312,68 6.814,69 4.74}
{0 CHEMBL327134,2 5,3 1,4 24.95,5 306.049,6 11,7 364.964,8 1,9 5.502,10 1,11 16.786,12 0.725,13 5.34,14 1,15 4.176,16 0.125,17 3.281,18 1,19 992,20 12.841,21 258.964,22 1.607,23 1.57,25 0.55,26 7.421,27 21.471,28 1,29 0.392,30 5.169,31 1,32 1.557,33 0.892,34 3,35 29915,36 4.881,37 62.022,38 7.726,39 317.975,40 55,41 28,42 4,43 58,44 0.981,45 -0.055,46 17661,47 0.771,48 1.971,49 31.868,50 1.447,51 1.521,52 1.229,53 1.152,54 82,55 19.331,56 -0.024,57 6,58 4.695,59 317.82,60 317.82,61 317.82,62 317.82,63 4.303,64 4.303,65 11.761,66 11.761,67 11.761,68 6.941,69 5.304}
{0 CHEMBL32823,1 4,2 10,3 1,4 33.618,5 447.302,6 15,7 447.302,9 9.59,11 36.022,12 1.146,13 4.916,15 4.136,16 0.08,17 4.043,18 0.63,19 2470,20 19.776,21 400.217,22 1.948,23 1.901,24 2,25 0.757,26 11.027,27 37.803,28 0.33,29 0.27,30 5.6,32 1.795,33 1.086,34 6,35 141712,36 5.204,37 86.467,38 11.042,39 482.543,40 77,41 40,42 13,43 82,44 1.188,45 0.066,46 49468,47 1.103,48 2.072,49 47.218,50 0.842,51 1.771,52 1.563,53 1.489,54 133,55 18.879,56 0.097,57 18,58 5.007,59 447.302,60 447.302,61 447.302,62 447.302,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.979}
{0 CHEMBL350032,2 3,3 1,4 12.704,5 200.109,6 2,7 250.399,8 1,9 6.179,10 1,12 0.529,13 4.187,14 1,15 4.016,16 0.129,17 3.482,18 1,19 1143,20 7.488,21 230.029,22 1.483,23 1.441,25 0.218,26 4.623,27 25.333,28 1,29 0.348,30 4.801,31 1,32 1.279,33 0.94,35 10491,36 4.496,37 49.333,38 5.253,39 240.215,40 44,41 17,43 46,44 0.861,45 -0.204,46 28536,47 0.688,48 1.965,49 19.219,50 1.487,51 1.285,52 1.035,53 0.969,54 106,55 17.118,56 -0.196,58 4.36,59 200.109,60 200.109,61 200.109,62 200.109,63 4.095,64 4.095,65 10.106,66 10.106,67 10.106,68 6.487,69 4.515}
{0 CHEMBL367067,1 4,2 10,3 1,4 36.846,5 491.293,6 15,7 459.073,9 9.493,11 18.011,12 1.142,13 5.583,15 4.131,16 0.104,17 4.05,18 0.63,19 2732,20 19.724,21 411.989,22 1.947,23 1.901,24 1,25 0.757,26 11.092,27 39.911,28 0.33,29 0.264,30 5.563,32 1.771,33 0.997,34 3,35 143565,36 5.216,37 87.387,38 11.239,39 490.261,40 78,41 40,42 10,43 83,44 1.197,45 0.076,46 53905,47 1.121,48 2.072,49 51.028,50 1.03,51 1.736,52 1.55,53 1.486,54 142,55 18.879,56 0.073,57 12,58 5.02,59 459.073,60 459.073,61 459.073,62 459.073,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.377}
{0 CHEMBL389283,2 7,3 1,4 16.681,5 211.88,6 6,7 258.964,8 1,9 6.242,10 1,12 0.612,13 3.622,14 1,15 3.979,16 0.139,17 3.508,18 1,19 376,20 9.081,21 211.88,22 1.379,23 1.326,25 0.218,26 5.633,27 14.123,28 1,29 0.367,30 4.849,31 1,32 1.107,33 1.162,35 2544,36 4.494,37 45.149,38 4.896,39 212.877,40 40,41 22,42 4,43 41,44 0.96,45 -0.031,46 6477,47 0.564,48 1.917,49 21.336,50 0.503,51 1.062,52 0.886,53 0.821,54 48,55 11.756,56 -0.044,57 4,58 4.276,59 258.964,60 258.964,61 258.964,62 258.964,63 3.457,64 3.457,65 6.968,66 6.968,67 6.968,68 5.341,69 5}
{0 CHEMBL395926,1 1,2 4,3 1,4 19.136,5 235.422,6 5,7 297.483,8 1,9 6.263,10 1,11 18.011,12 0.584,13 4.854,14 1,15 4.161,16 0.123,17 3.521,18 1,19 1049,20 9.936,21 247.193,22 1.568,23 1.569,24 1,25 0.421,26 5.822,27 24.798,28 1,29 0.413,30 5.001,31 1,32 1.337,33 0.704,34 3,35 34477,36 4.716,37 54.858,38 5.456,39 275.121,40 49,41 22,42 1,43 52,44 1.087,45 -0.153,46 19552,47 0.707,48 2.123,49 25.644,50 1.675,51 1.342,52 1.174,53 1.142,54 102,55 20.378,56 -0.159,58 4.534,59 247.193,60 247.193,61 247.193,62 247.193,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 5.55}
{0 CHEMBL396226,2 2,3 1,4 0.63,5 113.675,7 167.764,8 1,9 5.025,10 1,11 45.954,12 0.177,13 4.858,14 1,15 4.003,16 0.146,17 3.187,18 1,19 440,20 3.523,21 82.398,22 1.125,23 1.131,26 2.121,27 13.8,28 1,29 0.468,30 4.238,31 1,32 1.054,33 0.84,34 4,35 6022,36 3.982,37 31.838,38 4.174,39 140.881,40 29,41 9,43 31,44 0.871,45 0.032,46 13772,47 0.37,48 1.902,49 9.592,50 1.441,51 1.009,52 0.873,53 0.83,54 56,55 17.171,56 -0.02,58 3.912,59 82.398,60 82.398,61 82.398,62 82.398,63 4.029,64 4.029,65 10.287,66 10.287,67 10.287,68 6.538,69 6.538}
{0 CHEMBL399528,2 7,3 1,4 20.675,5 282.506,6 8,7 372.022,8 1,9 7.96,12 0.825,13 4.764,15 3.961,16 0.144,17 3.883,18 0.88,19 1080,20 11.061,21 258.964,22 1.513,23 1.462,25 0.308,26 6.477,27 29.846,28 0.83,29 0.344,30 5.047,32 1.429,33 0.979,35 11354,36 4.719,37 56.076,38 6.912,39 282.193,40 50,41 24,42 4,43 52,44 0.77,45 -0.035,46 26159,47 0.662,48 1.929,49 32.562,50 1.14,51 1.376,52 1.153,53 1.064,54 110,55 16.191,56 -0.056,57 2,58 4.538,59 282.506,60 282.506,61 282.506,62 282.506,63 3.886,64 3.886,65 9.632,66 9.632,67 9.632,68 6.389,69 4}
{0 CHEMBL403083,1 2,2 7,3 1,4 22.47,5 282.506,6 7,7 361.335,8 1,9 8.104,10 1,11 36.022,12 0.755,13 5.569,14 1,15 4.114,16 0.102,17 3.877,18 1,19 1623,20 12.165,21 282.506,22 1.614,23 1.618,24 2,25 0.554,26 7.08,27 31.076,28 1,29 0.334,30 5.159,31 1,32 1.515,33 0.985,34 4,35 33027,36 4.843,37 65.106,38 7.257,39 339.763,40 58,41 27,42 4,43 61,44 1.184,45 0.023,46 37238,47 0.813,48 2.072,49 31.293,50 1.277,51 1.5,52 1.236,53 1.181,54 136,55 18.879,56 0.035,57 6,58 4.675,59 282.506,60 282.506,61 282.506,62 282.506,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.426}
{0 CHEMBL405686,2 7,3 1,4 39.523,5 506.157,6 13,7 648.049,9 8.938,12 1.087,13 5.652,15 4.114,16 0.06,17 4.025,18 0.63,19 5834,20 19.413,21 411.989,22 1.938,23 1.921,25 0.835,26 11.54,27 65.658,28 0.5,29 0.192,30 5.67,32 1.766,33 0.777,35 2043250,36 5.419,37 110.684,38 12.265,39 656.306,40 99,41 43,42 6,43 106,44 1.07,45 -0.08,46 158987,47 1.34,48 2.021,49 50.102,50 1.445,51 1.778,52 1.544,53 1.496,54 372,55 19.685,56 -0.068,58 5.269,59 506.157,60 506.157,61 506.157,62 506.157,63 4.299,64 4.299,65 12.097,66 12.097,67 12.097,68 7.034,69 5.377}
{0 CHEMBL407765,1 2,2 3,3 1,4 15.574,5 188.338,6 6,7 188.338,8 1,9 4.091,10 1,11 18.011,12 0.609,13 4.831,14 1,15 4.111,16 0.168,17 2.8,18 1,19 348,20 8.831,21 188.338,22 1.426,23 1.381,24 1,25 0.129,26 4.999,27 10.667,28 1,29 0.567,30 4.802,31 1,32 1.217,33 1.045,34 2,35 6180,36 4.447,37 41.817,38 4.936,39 192.75,40 37,41 19,42 4,43 39,44 1.312,45 0.109,46 4967,47 0.557,48 2.071,49 21.319,50 1.135,51 1.202,52 0.925,53 0.852,54 52,55 18.879,56 0.127,57 6,58 4.248,59 188.338,60 188.338,61 188.338,62 188.338,63 4.206,64 4.206,65 11.348,66 11.348,67 11.348,68 6.829,69 7.51}
{0 CHEMBL442866,2 13,4 23.622,5 282.506,6 5,7 461.628,9 8.749,11 17.888,12 1.064,13 4.988,15 4.004,16 0.076,17 3.981,18 0.5,19 5896,20 12.039,21 306.049,22 1.874,23 1.897,24 1,25 0.309,26 7.343,27 65.834,28 0.5,29 0.22,30 5.359,32 1.68,33 1.046,35 51354,36 5.036,37 83.777,38 9.238,39 467.161,40 75,41 29,42 3,43 79,44 1.016,45 -0.084,46 114421,47 1.004,48 1.911,49 37.055,50 1.299,51 1.74,52 1.368,53 1.305,54 332,55 18.28,56 -0.074,58 4.936,59 306.049,60 306.049,61 306.408,62 306.049,63 4.124,64 4.124,65 11.009,66 11.009,67 11.009,68 6.731,69 4.312}
{0 CHEMBL448060,2 3,3 1,4 12.211,5 153.024,6 3,7 221.447,8 1,9 4.737,10 1,12 0.492,13 4.514,14 1,15 4.12,16 0.166,17 3.07,18 1,19 508,20 6.185,21 164.795,22 1.473,23 1.426,26 3.709,27 14.24,28 1,29 0.517,30 4.406,31 1,32 1.308,33 0.794,35 7576,36 4.278,37 37.744,38 4.35,39 172.974,40 34,41 14,43 36,44 1.073,45 -0.153,46 9937,47 0.409,48 1.957,49 13.905,50 1.441,51 1.239,52 0.934,53 0.804,54 62,55 18.912,56 -0.124,57 6,58 4.157,59 164.795,60 164.795,61 164.795,62 164.795,63 4.217,64 4.217,65 11.37,66 11.37,67 11.37,68 6.835,69 4.636}
{0 CHEMBL448673,2 8,3 1,4 25.14,5 341.362,6 10,7 377.507,8 1,9 7.747,10 1,12 0.892,13 5.073,14 1,15 4.055,16 0.12,17 3.864,18 1,19 1391,20 13.002,21 247.193,22 1.725,23 1.638,25 0.414,26 7.712,27 34.031,28 1,29 0.357,30 5.214,31 1,32 1.638,33 0.952,35 34905,36 4.912,37 65.311,38 7.628,39 339.763,40 58,41 29,42 2,43 61,44 0.895,45 0.045,46 25575,47 0.829,48 1.947,49 33.571,50 1.314,51 1.584,52 1.351,53 1.256,54 138,55 19.034,56 0.047,57 2,58 4.718,59 341.362,60 341.362,61 341.362,62 341.362,63 4.237,64 4.237,65 11.409,66 11.409,67 11.409,68 6.866,69 4.699}
{0 CHEMBL450898,2 12,3 0.5,4 21.348,5 282.506,6 5,7 461.628,9 7.682,12 1.062,13 4.748,15 4.002,16 0.082,17 3.714,18 0.63,19 4356,20 10.966,21 306.049,22 1.874,23 1.895,25 0.242,26 6.882,27 50.667,28 0.5,29 0.239,30 5.273,32 1.461,33 1.038,35 38352,36 4.94,37 75.282,38 8.41,39 413.947,40 68,41 26,42 3,43 72,44 1.003,45 -0.117,46 82940,47 0.8,48 1.91,49 33.813,50 1.268,51 1.505,52 1.225,53 1.216,54 242,55 18.28,56 -0.073,58 4.852,59 306.049,60 306.049,61 306.408,62 306.049,63 4.124,64 4.124,65 11.009,66 11.009,67 11.009,68 6.731,69 4.192}
{0 CHEMBL452742,2 13,3 0.5,4 24.651,5 317.82,6 6,7 483.015,9 8.192,12 1.064,13 4.877,15 4.003,16 0.081,17 3.855,18 0.38,19 5100,20 12.051,21 341.362,22 1.874,23 1.896,25 0.365,26 7.648,27 57.822,28 0.5,29 0.229,30 5.316,32 1.604,33 0.995,35 44542,36 5.018,37 81.196,38 8.959,39 451.857,40 73,41 29,42 3,43 77,44 1.04,45 -0.094,46 93638,47 0.904,48 1.91,49 35.971,50 1.241,51 1.625,52 1.287,53 1.241,54 308,55 18.28,56 -0.065,58 4.917,59 341.362,60 341.362,61 341.722,62 341.362,63 4.124,64 4.124,65 11.009,66 11.009,67 11.009,68 6.731,69 4.339}
{0 CHEMBL454594,2 3,3 1,4 17.968,5 270.735,6 4,7 321.025,8 1,9 6.179,10 1,12 0.646,13 4.214,14 1,15 4.024,16 0.129,17 3.482,18 1,19 1143,20 10.452,21 270.735,22 1.612,23 1.549,25 0.291,26 6.312,27 25.333,28 1,29 0.348,30 4.877,32 1.451,33 0.874,35 10491,36 4.639,37 55.484,38 5.579,39 282.193,40 50,41 23,43 52,44 0.885,45 -0.285,46 19776,47 0.617,48 1.981,49 22.989,50 1.487,51 1.407,52 1.2,53 1.124,54 106,55 17.118,56 -0.245,57 6,58 4.47,59 270.735,60 270.735,61 270.735,62 270.735,63 4.095,64 4.095,65 10.106,66 10.106,67 10.106,68 6.487,69 4.455}
{0 CHEMBL455600,3 1,4 9.047,5 94.169,6 1,7 117.711,8 1,9 3.381,10 1,11 16.786,12 0.202,13 4.454,14 1,15 4.22,16 0.201,17 2.541,18 1,19 128,20 4.768,21 117.711,22 1.127,23 1.062,26 2.862,27 6.02,28 0.67,29 0.693,30 4.204,32 0.946,33 0.78,34 3,35 3356,36 4.004,37 27.865,38 2.732,39 116.096,40 25,41 11,43 27,44 1.077,45 -0.151,46 2729,47 0.368,48 1.987,49 11.128,50 1.264,51 0.907,52 0.753,53 0.697,54 25,55 18.132,56 -0.161,58 3.834,59 117.711,60 117.711,61 117.711,62 117.711,63 4.188,64 4.188,65 11.094,66 11.094,67 11.094,68 6.755,69 6.268}
{0 CHEMBL460447,2 6,3 1,4 39.618,5 553.242,6 24,7 614.532,9 7.021,11 18.011,12 1.026,13 5.555,15 4.128,16 0.103,17 3.709,18 0.75,19 2118,20 22.352,21 482.615,22 1.77,23 1.719,24 1,25 0.75,26 12.567,27 41.187,28 0.67,29 0.399,30 5.709,32 1.693,33 0.973,34 2,35 61160,36 5.334,37 94.174,38 12.572,39 529.128,40 83,41 48,42 10,43 86,44 1.002,45 -0.074,46 28168,47 1.144,48 2.053,49 57.059,50 1.807,51 1.683,52 1.445,53 1.403,54 158,55 24.028,56 -0.105,57 27,58 5.119,59 553.242,60 553.242,61 553.242,62 553.242,63 4.732,64 4.732,65 15.164,66 15.164,67 15.164,68 7.983,69 5}
{0 CHEMBL463194,2 1,3 1,4 18.799,5 270.735,6 13,7 324.419,8 1,9 3.818,10 1,12 0.712,13 4.784,14 1,15 4.064,16 0.207,17 2.666,18 1,19 239,20 10.948,21 188.338,22 1.518,23 1.447,25 0.273,26 6.414,27 7.474,28 1,29 0.736,30 4.985,31 1,32 1.313,33 1.078,34 1,35 4805,36 4.588,37 46.401,38 6.771,39 219.66,40 41,41 24,42 6,43 43,44 0.925,45 -0.183,46 3741,47 0.544,48 2.008,49 27.189,50 1.873,51 1.291,52 0.936,53 0.845,54 35,55 22.236,56 -0.204,57 11,58 4.386,59 270.735,60 270.735,61 270.735,62 270.735,63 4.61,64 4.61,65 13.991,66 13.991,67 13.991,68 7.656,69 4.963}
{0 CHEMBL463196,3 1,4 21.62,5 270.735,6 15,7 398.785,8 1,9 3.516,10 1,12 0.726,13 4.726,14 1,15 4.092,16 0.198,17 2.525,18 1,19 240,20 12.507,21 211.88,22 1.48,23 1.425,25 0.343,26 6.838,27 7.593,28 0.83,29 0.788,30 5.188,31 1,32 1.308,33 1.069,34 5,35 5486,36 4.696,37 50.026,38 7.443,39 240.215,40 44,41 26,42 7,43 46,44 0.815,45 -0.229,46 3880,47 0.586,48 2.002,49 35.471,50 1.955,51 1.239,52 0.934,53 0.825,54 31,55 24.993,56 -0.188,57 16,58 4.508,59 270.735,60 270.735,61 270.735,62 270.735,63 4.818,64 4.818,65 15.755,66 15.755,67 15.755,68 8.165,69 4.627}
{0 CHEMBL464724,2 2,3 1,4 32.879,5 423.76,6 19,7 509.126,8 1,9 6.317,11 18.011,12 1.048,13 5.601,15 4.139,16 0.114,17 3.551,18 0.75,19 1294,20 19.7,21 329.591,22 1.758,23 1.696,24 1,25 0.706,26 10.68,27 26.733,28 1,29 0.433,30 5.57,32 1.564,33 1.019,34 5,35 61904,36 5.14,37 77.806,38 10.866,39 421.488,40 69,41 39,42 9,43 73,44 0.878,45 -0.047,46 18971,47 0.945,48 2.007,49 48.6,50 1.687,51 1.523,52 1.337,53 1.272,54 122,55 23.229,56 -0.064,57 20,58 4.946,59 423.76,60 423.76,61 423.76,62 423.76,63 4.649,64 4.649,65 14.716,66 14.716,67 14.716,68 7.884,69 4.967}
{0 CHEMBL469423,2 1,3 1,4 14.896,5 176.567,6 5,7 230.25,8 1,9 3.901,10 1,11 18.011,12 0.565,13 4.919,14 1,15 4.111,16 0.156,17 2.668,18 1,19 406,20 8.201,21 129.482,22 1.522,23 1.47,24 1,25 0.139,26 4.611,27 9.93,28 1,29 0.546,30 4.742,31 1,32 1.122,33 0.842,34 4,35 16719,36 4.439,37 41.239,38 4.79,39 192.75,40 37,41 17,42 3,43 40,44 1.106,45 0.027,46 7401,47 0.494,48 2.079,49 20.227,50 1.361,51 1.094,52 0.936,53 0.889,54 42,55 20.159,56 0.031,58 4.286,59 176.567,60 176.567,61 176.567,62 176.567,63 4.381,64 4.381,65 12.562,66 12.562,67 12.562,68 7.155,69 4}
{0 CHEMBL469914,2 5,3 1,4 24.122,5 317.82,6 9,7 353.965,8 1,9 8.051,10 1,12 0.987,13 5.166,14 1,15 4.056,16 0.112,17 3.922,18 0.88,19 1514,20 12.619,21 247.193,22 1.703,23 1.671,25 0.537,26 7.321,27 35.862,28 1,29 0.336,30 5.226,31 1,32 1.587,33 0.969,35 54751,36 4.9,37 63.896,38 7.75,39 332.475,40 57,41 27,42 4,43 61,44 0.969,45 -0.01,46 30446,47 0.816,48 1.947,49 33.507,50 1.075,51 1.59,52 1.4,53 1.337,54 150,55 19.034,56 0.007,57 2,58 4.721,59 317.82,60 317.82,61 317.82,62 317.82,63 4.237,64 4.237,65 11.409,66 11.409,67 11.409,68 6.866,69 5.524}
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{0 CHEMBL478193,2 8,3 1,4 25.747,5 341.362,6 9,7 442.19,8 1,9 8.49,10 1,12 0.867,13 4.86,14 1,15 4.023,16 0.118,17 3.944,18 1,19 1436,20 12.532,21 294.278,22 1.757,23 1.719,25 0.469,26 7.683,27 30.391,28 1,29 0.366,30 5.133,31 1,32 1.451,33 0.773,34 2,35 19834,36 4.909,37 67.566,38 6.967,39 354.413,40 60,41 30,42 2,43 62,44 1.172,45 -0.151,46 33080,47 0.79,48 1.958,49 32.405,50 1.697,51 1.428,52 1.155,53 1.094,54 108,55 19.233,56 -0.143,57 6,58 4.726,59 341.362,60 341.362,61 341.362,62 341.362,63 4.251,64 4.251,65 11.724,66 11.724,67 11.724,68 7.122,69 6.15}
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{0 CHEMBL499836,3 1,4 8,5 82.398,6 1,7 145.089,8 1,9 3.598,10 1,11 16.786,12 0.201,13 4.454,14 1,15 4.221,16 0.191,17 2.652,18 1,19 160,20 4.292,21 105.94,22 1.124,23 1.06,26 2.51,27 7.067,28 0.83,29 0.655,30 4.2,32 0.912,33 0.687,34 3,35 3983,36 4.002,37 27.809,38 3.053,39 116.096,40 25,41 10,43 27,44 1.109,45 -0.197,46 4250,47 0.357,48 1.985,49 12.045,50 1.429,51 0.874,52 0.74,53 0.699,54 29,55 18.18,56 -0.216,58 3.848,59 105.94,60 105.94,61 105.94,62 105.94,63 4.199,64 4.199,65 11.137,66 11.137,67 11.137,68 6.764,69 4.796}
{0 CHEMBL500603,2 8,3 1,4 40.875,5 541.471,6 24,7 638.905,9 6.852,11 36.022,12 1.017,13 5.728,15 4.13,16 0.095,17 3.641,18 0.88,19 2628,20 22.435,21 470.844,22 1.754,23 1.724,24 2,25 0.73,26 12.576,27 42.377,28 0.83,29 0.371,30 5.737,32 1.695,33 0.997,34 3,35 70367,36 5.354,37 97.593,38 13.119,39 552.659,40 86,41 48,42 10,43 89,44 0.93,45 -0.005,46 37688,47 1.174,48 2.051,49 59.517,50 1.796,51 1.693,52 1.443,53 1.404,54 180,55 24.056,56 -0.046,57 25,58 5.154,59 541.471,60 541.471,61 541.471,62 541.471,63 4.738,64 4.738,65 15.2,66 15.2,67 15.2,68 7.987,69 4.602}
{0 CHEMBL500712,2 12,3 0.5,4 21.799,5 282.506,6 5,7 479.289,9 7.921,12 1.064,13 4.828,15 4.002,16 0.081,17 3.783,18 0.5,19 4716,20 11.234,21 306.049,22 1.874,23 1.895,25 0.278,26 7.051,27 54.194,28 0.5,29 0.234,30 5.294,32 1.474,33 1.04,35 41344,36 4.961,37 77.781,38 8.645,39 429.05,40 70,41 27,42 3,43 74,44 1.008,45 -0.114,46 90015,47 0.863,48 1.91,49 34.579,50 1.254,51 1.521,52 1.235,53 1.219,54 275,55 18.28,56 -0.077,58 4.869,59 306.049,60 306.049,61 306.408,62 306.049,63 4.124,64 4.124,65 11.009,66 11.009,67 11.009,68 6.731,69 4.402}
{0 CHEMBL502,2 6,3 1,4 25.247,5 341.362,6 11,7 388.507,8 1,9 7.272,10 1,12 0.825,13 4.929,14 1,15 4.062,16 0.122,17 3.771,18 1,19 1222,20 13.447,21 294.278,22 1.575,23 1.539,25 0.574,26 7.879,27 30.378,28 1,29 0.352,30 5.193,32 1.534,33 0.926,35 25383,36 4.897,37 63.939,38 7.591,39 332.475,40 57,41 29,42 4,43 60,44 1.131,45 -0.136,46 23969,47 0.759,48 1.935,49 33.172,50 1.333,51 1.521,52 1.221,53 1.159,54 122,55 18.021,56 -0.12,57 5,58 4.715,59 341.362,60 341.362,61 341.362,62 341.362,63 4.227,64 4.227,65 10.926,66 10.926,67 10.926,68 6.724,69 5.444}
{0 CHEMBL503053,2 13,4 23.699,5 282.506,6 5,7 436.483,9 8.749,11 17.888,12 1.064,13 4.988,15 4.004,16 0.076,17 3.981,18 0.5,19 5896,20 11.862,21 306.049,22 1.874,23 1.897,24 1,25 0.317,26 7.303,27 65.834,28 0.5,29 0.22,30 5.353,32 1.648,33 1.027,35 51354,36 5.032,37 83.488,38 9.458,39 467.161,40 75,41 29,42 3,43 79,44 0.983,45 -0.147,46 114421,47 0.993,48 1.911,49 39.255,50 1.299,51 1.667,52 1.389,53 1.335,54 332,55 18.28,56 -0.101,58 4.932,59 306.049,60 306.049,61 306.408,62 306.049,63 4.124,64 4.124,65 11.009,66 11.009,67 11.009,68 6.731,69 4.144}
{0 CHEMBL511533,2 1,3 1,4 20.115,5 294.278,6 15,7 347.961,8 1,9 3.776,10 1,12 0.716,13 4.629,14 1,15 4.066,16 0.207,17 2.604,18 1,19 216,20 11.731,21 200.109,22 1.548,23 1.463,25 0.316,26 6.84,27 7.384,28 1,29 0.731,30 5.081,31 1,32 1.314,33 1.121,34 1,35 4762,36 4.664,37 48.816,38 7.229,39 233.329,40 43,41 26,42 6,43 45,44 0.893,45 -0.17,46 3350,47 0.573,48 2.014,49 29.057,50 1.873,51 1.27,52 0.983,53 0.887,54 31,55 22.105,56 -0.201,57 14,58 4.453,59 294.278,60 294.278,61 294.278,62 294.278,63 4.588,64 4.588,65 13.891,66 13.891,67 13.891,68 7.635,69 4.579}
{0 CHEMBL512904,2 7,3 1,4 27.59,5 364.904,6 12,7 401.049,8 1,9 8.516,10 1,12 1.046,13 5.277,14 1,15 4.056,16 0.11,17 4.005,18 0.88,19 1713,20 14.688,21 270.735,22 1.797,23 1.745,25 0.64,26 8.407,27 39.203,28 1,29 0.326,30 5.366,31 1,32 1.624,33 1.029,35 59306,36 5.005,37 69.727,38 8.752,39 369.16,40 62,41 31,42 6,43 66,44 1.013,45 -0.031,46 32388,47 0.891,48 1.947,49 38.586,50 1.058,51 1.631,52 1.425,53 1.37,54 165,55 19.034,56 -0.005,57 4,58 4.817,59 364.904,60 364.904,61 364.904,62 364.904,63 4.237,64 4.237,65 11.409,66 11.409,67 11.409,68 6.866,69 5.243}
{0 CHEMBL512948,3 1,4 19.52,5 282.506,6 13,7 367.873,8 1,9 3.758,10 1,12 0.709,13 4.629,14 1,15 4.039,16 0.203,17 2.618,18 1,19 195,20 11.459,21 200.109,22 1.528,23 1.459,25 0.273,26 6.681,27 7.377,28 0.83,29 0.746,30 5.05,31 1,32 1.308,33 1.094,34 3,35 2748,36 4.624,37 48.816,38 6.73,39 233.329,40 43,41 26,42 6,43 44,44 0.979,45 -0.212,46 3258,47 0.558,48 2.011,49 29.631,50 1.904,51 1.239,52 0.939,53 0.833,54 24,55 21.629,56 -0.237,57 14,58 4.416,59 282.506,60 282.506,61 282.506,62 282.506,63 4.563,64 4.563,65 13.42,66 13.42,67 13.42,68 7.517,69 4.356}
{0 CHEMBL513587,2 8,3 1,4 24.895,5 341.362,6 9,7 377.507,8 1,9 8.203,10 1,12 1.002,13 5.111,14 1,15 4.055,16 0.116,17 3.95,18 1,19 1558,20 12.874,21 223.651,22 1.756,23 1.702,25 0.476,26 7.721,27 37.524,28 1,29 0.346,30 5.189,31 1,32 1.638,33 0.93,35 38386,36 4.911,37 66.311,38 7.615,39 347.076,40 59,41 29,42 2,43 62,44 0.927,45 0.05,46 28915,47 0.836,48 1.947,49 32.586,50 1.295,51 1.599,52 1.416,53 1.361,54 152,55 19.034,56 0.07,58 4.718,59 341.362,60 341.362,61 341.362,62 341.362,63 4.237,64 4.237,65 11.409,66 11.409,67 11.409,68 6.866,69 5.148}
{0 CHEMBL514534,2 7,3 1,4 24.247,5 317.82,6 8,7 418.648,8 1,9 7.987,10 1,12 0.862,13 4.872,14 1,15 4.023,16 0.121,17 3.854,18 1,19 1291,20 11.621,21 294.278,22 1.741,23 1.696,25 0.469,26 7.156,27 27.95,28 1,29 0.378,30 5.062,31 1,32 1.444,33 0.735,34 2,35 18192,36 4.854,37 64.151,38 6.467,39 332.475,40 57,41 28,42 1,43 59,44 1.157,45 -0.168,46 29667,47 0.751,48 1.958,49 30.08,50 1.713,51 1.398,52 1.131,53 1.049,54 100,55 19.233,56 -0.167,57 6,58 4.675,59 317.82,60 317.82,61 317.82,62 317.82,63 4.251,64 4.251,65 11.724,66 11.724,67 11.724,68 7.122,69 5.975}
{0 CHEMBL515199,2 7,3 1,4 23.344,5 317.82,6 8,7 353.965,8 1,9 7.747,10 1,12 0.886,13 5.03,14 1,15 4.055,16 0.119,17 3.864,18 1,19 1391,20 11.935,21 223.651,22 1.725,23 1.638,25 0.268,26 7.183,27 34.031,28 1,29 0.357,30 5.122,31 1,32 1.623,33 0.904,35 34905,36 4.856,37 62.896,38 7.12,39 325.212,40 56,41 27,42 1,43 59,44 0.867,45 0.064,46 26382,47 0.796,48 1.947,49 30.49,50 1.314,51 1.584,52 1.351,53 1.256,54 138,55 19.034,56 0.069,58 4.666,59 317.82,60 317.82,61 317.82,62 317.82,63 4.237,64 4.237,65 11.409,66 11.409,67 11.409,68 6.866,69 4.897}
{0 CHEMBL517307,2 1,3 1,4 22.063,5 270.735,6 15,7 398.785,8 1,9 3.564,10 1,12 0.734,13 4.698,14 1,15 4.101,16 0.194,17 2.565,18 1,19 284,20 12.989,21 223.651,22 1.479,23 1.43,25 0.349,26 6.838,27 8.531,28 1,29 0.805,30 5.21,31 1,32 1.308,33 1.057,34 5,35 5137,36 4.715,37 50.026,38 7.494,39 240.215,40 44,41 26,42 8,43 46,44 0.632,45 -0.232,46 4157,47 0.586,48 2.004,49 35.12,50 1.905,51 1.239,52 0.934,53 0.816,54 36,55 24.863,56 -0.203,57 15,58 4.53,59 270.735,60 270.735,61 270.735,62 270.735,63 4.848,64 4.848,65 16.104,66 16.104,67 16.104,68 8.192,69 4.36}
{0 CHEMBL539374,1 1,2 6,3 1,4 26.027,5 282.506,6 9,7 350.819,8 1,9 6.687,10 1,11 18.011,12 0.824,13 5.267,14 1,15 4.173,16 0.1,17 3.644,18 0.88,19 1386,20 12.073,21 270.735,22 1.646,23 1.644,24 1,25 0.529,26 7.294,27 32.56,28 1,29 0.333,30 5.118,31 1,32 1.548,33 0.73,34 2,35 77328,36 4.935,37 65.313,38 7.205,39 339.763,40 58,41 28,42 2,43 62,44 1.006,45 -0.043,46 26273,47 0.838,48 2.113,49 30.114,50 1.347,51 1.536,52 1.284,53 1.23,54 134,55 18.619,56 -0.042,58 4.751,59 317.82,60 317.82,61 317.82,62 317.82,63 4.248,64 4.248,65 11.319,66 11.319,67 11.319,68 6.815,69 5.199}
{0 CHEMBL541019,1 1,2 4,3 1,4 23.152,5 282.506,6 8,7 344.567,8 1,9 6.691,10 1,11 18.011,12 0.825,13 5.222,14 1,15 4.171,16 0.109,17 3.63,18 0.88,19 1404,20 12.471,21 247.193,22 1.603,23 1.603,24 1,25 0.428,26 7.055,27 29.36,28 1,29 0.37,30 5.258,31 1,32 1.519,33 0.858,34 1,35 58195,36 4.886,37 62.689,38 7.245,39 325.212,40 56,41 26,42 3,43 60,44 0.913,45 0.016,46 24934,47 0.806,48 2.13,49 33.872,50 1.481,51 1.518,52 1.281,53 1.245,54 130,55 20.572,56 0.032,57 2,58 4.706,59 294.278,60 294.278,61 294.278,62 294.278,63 4.415,64 4.415,65 12.572,66 12.572,67 12.572,68 7.168,69 5.17}
{0 CHEMBL54126,2 3,3 1,4 15.458,5 223.651,6 5,7 259.796,8 1,9 4.32,10 1,12 0.469,13 3.678,14 1,15 3.984,16 0.235,17 2.902,18 1,19 258,20 6.649,21 223.651,22 1.417,23 1.308,25 0.107,26 4.367,27 9.641,28 1,29 0.731,30 4.5,31 1,32 1.308,33 0.561,35 1056,36 4.401,37 39.945,38 3.239,39 179.525,40 35,41 19,43 35,44 1.25,45 -0.459,46 3784,47 0.474,48 1.93,49 17.473,50 1.805,51 1.239,52 0.934,53 0.804,54 34,55 18.67,56 -0.402,58 4.16,59 223.651,60 223.651,61 223.651,62 223.651,63 4.24,64 4.24,65 11.69,66 11.69,67 11.69,68 7.116,69 7.155}
{0 CHEMBL541672,1 1,2 5,3 1,4 22.713,5 247.193,6 6,7 315.506,8 1,9 7.084,11 18.011,12 0.852,13 5.434,15 4.174,16 0.092,17 3.731,18 0.88,19 1732,20 11.389,21 235.422,22 1.645,23 1.642,24 1,25 0.525,26 6.717,27 35.711,28 0.83,29 0.306,30 5.107,32 1.548,33 0.825,34 2,35 122968,36 4.865,37 63.4,38 7.045,39 332.475,40 57,41 25,42 2,43 62,44 1.006,45 -0.032,46 35351,47 0.767,48 2.113,49 28.261,50 1.11,51 1.536,52 1.285,53 1.236,54 150,55 18.619,56 -0.029,58 4.72,59 282.506,60 282.506,61 282.506,62 282.506,63 4.248,64 4.248,65 11.319,66 11.319,67 11.319,68 6.815,69 6.391}
{0 CHEMBL549666,1 1,2 5,3 1,4 23.795,5 282.506,6 8,7 355.567,8 1,9 7.171,10 1,11 18.011,12 0.825,13 5.258,14 1,15 4.17,16 0.106,17 3.734,18 0.88,19 1604,20 11.93,21 270.735,22 1.578,23 1.588,24 1,25 0.466,26 6.948,27 32.604,28 1,29 0.359,30 5.239,31 1,32 1.506,33 0.821,34 2,35 62859,36 4.905,37 63.898,38 7.241,39 332.475,40 57,41 26,42 1,43 61,44 0.95,45 0.042,46 31555,47 0.821,48 2.13,49 33.422,50 1.459,51 1.506,52 1.262,53 1.24,54 145,55 20.572,56 0.028,58 4.732,59 294.278,60 294.278,61 294.278,62 294.278,63 4.415,64 4.415,65 12.572,66 12.572,67 12.572,68 7.168,69 5.323}
{0 CHEMBL549935,1 1,2 7,3 1,4 23.997,5 306.049,6 8,7 368.11,8 1,9 6.905,10 1,11 18.011,12 0.869,13 5.164,14 1,15 4.17,16 0.112,17 3.675,18 1,19 1456,20 12.802,21 223.651,22 1.725,23 1.638,24 1,25 0.466,26 7.475,27 31.44,28 1,29 0.381,30 5.221,31 1,32 1.582,33 0.817,34 2,35 42563,36 4.897,37 65.104,38 7.11,39 339.763,40 58,41 28,42 1,43 61,44 0.87,45 0.085,46 23703,47 0.827,48 2.13,49 33.181,50 1.615,51 1.578,52 1.351,53 1.256,54 130,55 20.572,56 0.099,58 4.703,59 317.82,60 317.82,61 317.82,62 317.82,63 4.415,64 4.415,65 12.572,66 12.572,67 12.572,68 7.168,69 5.012}
{0 CHEMBL549936,1 1,2 4,3 1,4 12.833,5 153.024,6 3,7 257.769,8 1,9 5.42,10 1,11 18.011,12 0.491,13 5.162,14 1,15 4.168,16 0.132,17 3.315,18 1,19 828,20 7.36,21 141.253,22 1.401,23 1.458,24 1,25 0.013,26 4.199,27 21.104,28 1,29 0.449,30 4.792,31 1,32 1.284,33 0.886,34 3,35 28055,36 4.468,37 45.531,38 5.276,39 219.66,40 41,41 16,42 1,43 44,44 1.131,45 0.156,46 18546,47 0.546,48 2.13,49 19.759,50 1.388,51 1.287,52 1.02,53 0.954,54 112,55 20.572,56 0.203,58 4.338,59 164.795,60 164.795,61 164.795,62 164.795,63 4.415,64 4.415,65 12.572,66 12.572,67 12.572,68 7.168,69 4.274}
{0 CHEMBL550075,1 1,2 4,3 1,4 23.049,5 282.506,6 8,7 344.567,8 1,9 7.011,10 1,11 18.011,12 0.825,13 5.258,14 1,15 4.163,16 0.109,17 3.692,18 0.88,19 1344,20 12.562,21 247.193,22 1.58,23 1.569,24 1,25 0.424,26 7.055,27 28.907,28 1,29 0.364,30 5.261,31 1,32 1.554,33 0.881,34 3,35 60319,36 4.883,37 62.689,38 7.216,39 325.212,40 56,41 26,42 4,43 60,44 0.96,45 -0.009,46 26310,47 0.806,48 2.123,49 34.105,50 1.481,51 1.544,52 1.285,53 1.218,54 128,55 20.378,56 -0.009,57 2,58 4.705,59 294.278,60 294.278,61 294.278,62 294.278,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 6.222}
{0 CHEMBL550076,1 1,2 6,3 1,4 22.427,5 282.506,6 7,7 344.567,8 1,9 6.435,10 1,11 18.011,12 0.869,13 5.086,14 1,15 4.17,16 0.116,17 3.567,18 1,19 1289,20 11.835,21 223.651,22 1.72,23 1.638,24 1,25 0.428,26 6.929,27 28.043,28 1,29 0.393,30 5.157,31 1,32 1.562,33 0.784,34 1,35 39009,36 4.841,37 61.689,38 6.616,39 317.975,40 55,41 26,43 58,44 0.861,45 0.092,46 21470,47 0.787,48 2.13,49 30.914,50 1.636,51 1.558,52 1.351,53 1.256,54 116,55 20.572,56 0.096,58 4.651,59 294.278,60 294.278,61 294.278,62 294.278,63 4.415,64 4.415,65 12.572,66 12.572,67 12.572,68 7.168,69 5.089}
{0 CHEMBL551226,1 1,2 4,3 1,4 19.247,5 235.422,6 5,7 297.483,8 1,9 5.94,10 1,11 18.011,12 0.599,13 4.813,14 1,15 4.169,16 0.123,17 3.451,18 1,19 1043,20 9.839,21 247.193,22 1.544,23 1.547,24 1,25 0.427,26 5.822,27 24.524,28 1,29 0.419,30 4.997,31 1,32 1.352,33 0.675,34 1,35 33345,36 4.72,37 54.858,38 5.485,39 275.121,40 49,41 22,43 52,44 1.042,45 -0.121,46 18384,47 0.707,48 2.13,49 25.419,50 1.675,51 1.359,52 1.19,53 1.14,54 101,55 20.572,56 -0.105,58 4.536,59 247.193,60 247.193,61 247.193,62 247.193,63 4.415,64 4.415,65 12.572,66 12.572,67 12.572,68 7.168,69 5.298}
{0 CHEMBL551430,1 1,2 3,3 1,4 10.903,5 129.482,6 2,7 234.226,8 1,9 5.048,10 1,11 18.011,12 0.428,13 5.09,14 1,15 4.168,16 0.137,17 3.193,18 1,19 716,20 6.225,21 141.253,22 1.341,23 1.392,24 1,26 3.599,27 18.472,28 1,29 0.466,30 4.691,31 1,32 1.166,33 0.85,34 1,35 25413,36 4.381,37 42.116,38 4.781,39 199.421,40 38,41 14,43 41,44 1.178,45 0.176,46 16853,47 0.504,48 2.13,49 16.985,50 1.406,51 1.189,52 0.929,53 0.885,54 96,55 20.572,56 0.199,58 4.262,59 141.253,60 141.253,61 141.253,62 141.253,63 4.415,64 4.415,65 12.572,66 12.572,67 12.572,68 7.168,69 4.163}
{0 CHEMBL556249,1 1,2 6,3 1,4 22.328,5 282.506,6 7,7 344.567,8 1,9 6.758,10 1,11 18.011,12 0.869,13 5.122,14 1,15 4.162,16 0.115,17 3.63,18 1,19 1253,20 11.921,21 223.651,22 1.72,23 1.638,24 1,25 0.422,26 6.929,27 27.608,28 1,29 0.387,30 5.16,31 1,32 1.569,33 0.809,34 3,35 40377,36 4.838,37 61.689,38 6.586,39 317.975,40 55,41 26,42 1,43 58,44 0.926,45 0.065,46 22742,47 0.787,48 2.123,49 31.149,50 1.636,51 1.568,52 1.351,53 1.256,54 115,55 20.378,56 0.05,58 4.649,59 294.278,60 294.278,61 294.278,62 294.278,63 4.386,64 4.386,65 12.378,66 12.378,67 12.378,68 7.118,69 5.285}
{0 CHEMBL559266,1 1,2 5,3 1,4 20.867,5 258.964,6 6,7 321.025,8 1,9 6.381,10 1,11 18.011,12 0.612,13 4.907,14 1,15 4.169,16 0.119,17 3.564,18 1,19 1202,20 10.848,21 247.193,22 1.567,23 1.574,24 1,25 0.466,26 6.378,27 27.985,28 1,29 0.406,30 5.073,31 1,32 1.404,33 0.718,34 2,35 36533,36 4.783,37 58.273,38 5.979,39 296.423,40 52,41 24,42 1,43 55,44 0.908,45 -0.111,46 20257,47 0.747,48 2.13,49 27.93,50 1.656,51 1.422,52 1.24,53 1.218,54 116,55 20.572,56 -0.082,58 4.595,59 270.735,60 270.735,61 270.735,62 270.735,63 4.415,64 4.415,65 12.572,66 12.572,67 12.572,68 7.168,69 5.567}
{0 CHEMBL559502,1 1,3 1,4 6.237,5 94.169,7 131.085,8 1,9 3.627,10 1,12 0.227,13 4.681,14 1,15 4.157,16 0.175,17 2.584,18 1,19 232,20 3.991,21 105.94,22 1.163,23 1.107,26 2.407,27 7.901,28 0.83,29 0.589,30 4.317,32 0.859,33 0.832,35 12977,36 4.014,37 29.369,38 3.173,39 128.382,40 27,41 9,43 30,44 1.288,45 0.046,46 6552,47 0.279,48 2.125,49 10.136,50 1.233,51 0.831,52 0.623,53 0.563,54 28,55 20.365,56 0.073,58 3.917,59 105.94,60 105.94,61 105.94,62 105.94,63 4.38,64 4.38,65 12.365,66 12.365,67 12.365,68 7.115,69 5.397}
{0 CHEMBL559822,1 1,2 4,3 1,4 22.111,5 258.964,6 7,7 332.025,8 1,9 6.691,10 1,11 18.011,12 0.825,13 5.185,14 1,15 4.17,16 0.109,17 3.63,18 0.88,19 1404,20 10.903,21 270.735,22 1.565,23 1.57,24 1,25 0.428,26 6.388,27 29.36,28 1,29 0.37,30 5.176,31 1,32 1.478,33 0.789,34 1,35 58195,36 4.849,37 60.483,38 6.747,39 310.764,40 54,41 24,43 58,44 0.967,45 0.045,46 28582,47 0.781,48 2.13,49 30.957,50 1.481,51 1.476,52 1.235,53 1.208,54 130,55 20.572,56 0.018,58 4.681,59 270.735,60 270.735,61 270.735,62 270.735,63 4.415,64 4.415,65 12.572,66 12.572,67 12.572,68 7.168,69 4.932}
{0 CHEMBL563713,1 1,2 5,3 1,4 24.788,5 306.049,6 9,7 368.11,8 1,9 7.171,10 1,11 18.011,12 0.858,13 5.294,14 1,15 4.171,16 0.106,17 3.734,18 0.88,19 1604,20 13.471,21 247.193,22 1.642,23 1.63,24 1,25 0.466,26 7.61,27 32.604,28 1,29 0.359,30 5.317,31 1,32 1.555,33 0.884,34 2,35 62859,36 4.94,37 66.104,38 7.74,39 347.076,40 59,41 28,42 4,43 63,44 0.898,45 0.014,46 27535,47 0.846,48 2.13,49 36.144,50 1.459,51 1.547,52 1.317,53 1.265,54 145,55 20.572,56 0.038,57 2,58 4.756,59 317.82,60 317.82,61 317.82,62 317.82,63 4.415,64 4.415,65 12.572,66 12.572,67 12.572,68 7.168,69 5.205}
{0 CHEMBL570,2 4,3 1,4 19.247,5 255.87,6 6,7 223.651,8 1,9 5.25,10 1,12 0.478,13 4.769,15 4.04,16 0.177,17 3.193,18 1,19 844,20 8.547,21 200.109,22 1.417,23 1.324,25 0.208,26 5.126,27 19.764,28 1,29 0.454,30 4.806,32 1.308,33 0.757,35 12460,36 4.62,37 49.088,38 5.742,39 233.329,40 43,41 19,42 1,43 45,44 1.031,45 -0.049,46 17338,47 0.84,48 1.989,49 24.354,50 1.697,51 1.239,52 0.976,53 0.909,54 82,55 19.345,56 -0.038,58 4.438,59 223.651,60 223.651,61 231.41,62 223.651,63 4.248,64 4.248,65 11.802,66 11.802,67 11.802,68 7.127,69 5.131}
{0 CHEMBL589352,1 3,2 21,3 0.5,4 46.563,5 642.924,6 23,7 659.242,9 14.951,11 36.022,12 1.211,13 6.017,15 4.118,16 0.07,17 4.787,18 0.63,19 6207,20 24.098,21 494.386,22 1.949,23 1.902,24 2,25 0.923,26 13.996,27 85.081,28 0.5,29 0.223,30 5.822,32 1.854,33 1.082,34 5,35 125968,36 5.486,37 114.503,38 14.996,39 672.479,40 101,41 54,42 15,43 105,44 1.117,45 0.013,46 134128,47 1.475,48 2.072,49 62.389,50 0.986,51 1.843,52 1.621,53 1.56,54 325,55 18.879,56 0.037,57 16,58 5.278,59 612.097,60 612.097,61 612.097,62 612.097,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.23}
{0 CHEMBL589384,1 3,2 20,3 0.5,4 45.104,5 619.381,6 22,7 635.7,9 14.479,11 36.022,12 1.201,13 5.974,15 4.118,16 0.071,17 4.739,18 0.63,19 5728,20 23.227,21 470.844,22 1.933,23 1.902,24 2,25 0.918,26 13.48,27 80.087,28 0.5,29 0.227,30 5.787,32 1.847,33 1.071,34 5,35 120455,36 5.456,37 111.088,38 14.496,39 648.242,40 98,41 52,42 14,43 102,44 1.116,45 0.012,46 126005,47 1.437,48 2.072,49 60.487,50 0.998,51 1.834,52 1.615,53 1.553,54 307,55 18.879,56 0.037,57 14,58 5.249,59 588.555,60 588.555,61 588.555,62 588.555,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.3}
{0 CHEMBL589405,1 3,2 18,3 0.5,4 42.147,5 572.297,6 20,7 588.615,9 13.531,11 36.022,12 1.163,13 5.885,15 4.117,16 0.075,17 4.636,18 0.63,19 4868,20 21.468,21 447.302,22 1.891,23 1.882,24 2,25 0.76,26 12.443,27 70.727,28 0.5,29 0.236,30 5.712,32 1.834,33 1.047,34 4,35 109806,36 5.391,37 104.257,38 13.521,39 600.168,40 92,41 48,42 12,43 96,44 1.129,45 0.011,46 110631,47 1.36,48 2.072,49 56.592,50 1.023,51 1.815,52 1.602,53 1.539,54 273,55 18.879,56 0.029,57 14,58 5.188,59 541.471,60 541.471,61 541.471,62 541.471,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.29}
{0 CHEMBL589409,1 3,2 17,3 0.5,4 40.646,5 548.755,6 19,7 565.073,9 13.041,11 36.022,12 1.155,13 5.973,15 4.117,16 0.076,17 4.581,18 0.63,19 4590,20 20.58,21 400.217,22 1.934,23 1.897,24 2,25 0.767,26 11.921,27 66.773,28 0.5,29 0.241,30 5.673,32 1.82,33 1.034,34 5,35 104520,36 5.358,37 100.842,38 12.996,39 576.34,40 89,41 46,42 11,43 93,44 1.155,45 0.009,46 103484,47 1.322,48 2.072,49 54.606,50 1.036,51 1.803,52 1.59,53 1.535,54 264,55 18.879,56 0.032,57 8,58 5.156,59 517.928,60 517.928,61 517.928,62 517.928,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.23}
{0 CHEMBL589419,1 3,2 15,3 0.5,4 37.595,5 501.67,6 17,7 517.989,9 12.069,11 36.022,12 1.143,13 5.884,15 4.116,16 0.079,17 4.464,18 0.63,19 3891,20 18.784,21 376.675,22 1.884,23 1.869,24 2,25 0.748,26 10.872,27 58.349,28 0.5,29 0.252,30 5.59,32 1.755,33 1.005,34 5,35 94604,36 5.286,37 94.012,38 11.996,39 529.128,40 83,41 42,42 9,43 87,44 1.154,45 0.006,46 89642,47 1.245,48 2.072,49 50.509,50 1.062,51 1.75,52 1.524,53 1.47,54 234,55 18.879,56 0.027,57 6,58 5.088,59 470.844,60 470.844,61 470.844,62 470.844,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.04}
{0 CHEMBL589495,1 3,2 19,3 0.5,4 43.632,5 595.839,6 21,7 612.158,9 14.005,11 36.022,12 1.172,13 5.93,15 4.117,16 0.073,17 4.688,18 0.63,19 5297,20 22.35,21 470.844,22 1.905,23 1.898,24 2,25 0.91,26 12.963,27 75.305,28 0.5,29 0.232,30 5.75,32 1.841,33 1.059,34 5,35 115068,36 5.424,37 107.672,38 13.996,39 624.136,40 95,41 50,42 13,43 99,44 1.113,45 0.011,46 118174,47 1.399,48 2.072,49 58.557,50 1.01,51 1.825,52 1.608,53 1.546,54 290,55 18.879,56 0.035,57 14,58 5.219,59 565.013,60 565.013,61 565.013,62 565.013,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.88}
{0 CHEMBL589496,1 3,2 16,3 0.5,4 39.129,5 525.213,6 18,7 541.531,9 12.556,11 36.022,12 1.145,13 5.929,15 4.116,16 0.078,17 4.523,18 0.63,19 4240,20 19.686,21 376.675,22 1.911,23 1.884,24 2,25 0.748,26 11.398,27 62.526,28 0.5,29 0.247,30 5.632,32 1.796,33 1.019,34 5,35 99501,36 5.323,37 97.427,38 12.496,39 552.659,40 86,41 44,42 10,43 90,44 1.155,45 0.007,46 96425,47 1.284,48 2.072,49 52.578,50 1.049,51 1.781,52 1.569,53 1.513,54 249,55 18.879,56 0.03,57 6,58 5.122,59 494.386,60 494.386,61 494.386,62 494.386,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.17}
{0 CHEMBL589978,1 3,2 17,3 0.5,4 41.028,5 572.297,6 20,7 552.471,9 12.68,11 36.022,12 1.201,13 5.838,15 4.117,16 0.075,17 4.524,18 0.5,19 3872,20 21.694,21 423.76,22 1.948,23 1.901,24 2,25 0.771,26 12.514,27 59.383,28 0.67,29 0.252,30 5.708,32 1.815,33 1.066,34 5,35 97838,36 5.366,37 100.838,38 13.171,39 576.34,40 89,41 48,42 13,43 93,44 1.14,45 0.009,46 82713,47 1.329,48 2.072,49 54.829,50 0.916,51 1.788,52 1.59,53 1.521,54 235,55 18.879,56 0.042,57 14,58 5.151,59 541.471,60 541.471,61 541.471,62 541.471,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.87}
{0 CHEMBL590055,1 3,2 15,3 0.5,4 37.595,5 501.67,6 17,7 517.989,9 12.071,11 36.022,12 1.142,13 5.932,15 4.116,16 0.079,17 4.465,18 0.63,19 3891,20 18.784,21 376.675,22 1.884,23 1.864,24 2,25 0.748,26 10.872,27 58.349,28 0.5,29 0.252,30 5.59,32 1.781,33 1.005,34 5,35 94570,36 5.286,37 94.012,38 11.996,39 529.128,40 83,41 42,42 9,43 87,44 1.17,45 0.006,46 89730,47 1.245,48 2.072,49 50.509,50 1.062,51 1.761,52 1.554,53 1.493,54 235,55 18.879,56 0.027,57 6,58 5.088,59 470.844,60 470.844,61 470.844,62 470.844,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8}
{0 CHEMBL590059,1 3,2 16,3 0.5,4 39.129,5 525.213,6 18,7 541.531,9 12.56,11 36.022,12 1.155,13 5.976,15 4.116,16 0.078,17 4.524,18 0.63,19 4200,20 19.686,21 400.217,22 1.893,23 1.874,24 2,25 0.757,26 11.398,27 62.476,28 0.5,29 0.247,30 5.632,32 1.809,33 1.019,34 5,35 99468,36 5.323,37 97.427,38 12.496,39 552.659,40 86,41 44,42 10,43 90,44 1.169,45 0.007,46 96533,47 1.284,48 2.072,49 52.578,50 1.049,51 1.787,52 1.58,53 1.519,54 249,55 18.879,56 0.03,57 8,58 5.122,59 494.386,60 494.386,61 494.386,62 494.386,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.05}
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{0 CHEMBL591394,1 1,2 7,3 1,4 26.956,5 294.278,6 7,7 384.59,9 9.198,11 16.786,12 1.041,13 5.804,15 4.224,16 0.071,17 4.106,18 0.75,19 3598,20 13.145,21 282.506,22 1.836,23 1.802,25 0.578,26 7.753,27 50.921,28 0.67,29 0.245,30 5.31,32 1.661,33 0.806,34 4,35 656081,36 5.073,37 77.649,38 8.987,39 429.05,40 70,41 29,42 2,43 77,44 1.178,45 0.018,46 81350,47 0.921,48 2.109,49 34.268,50 1.097,51 1.669,52 1.476,53 1.434,54 209,55 19.041,56 0.024,58 4.946,59 329.591,60 329.591,61 329.591,62 329.591,63 4.255,64 4.255,65 11.741,66 11.741,67 11.741,68 6.937,69 6.845}
{0 CHEMBL591724,1 1,2 9,3 1,4 30.53,5 341.362,6 9,7 431.675,9 10.206,11 16.786,12 1.046,13 5.817,15 4.224,16 0.068,17 4.257,18 0.75,19 4205,20 15.29,21 306.049,22 1.938,23 1.902,25 0.629,26 8.913,27 58.53,28 0.67,29 0.235,30 5.419,32 1.665,33 0.849,34 4,35 718387,36 5.161,37 84.479,38 9.987,39 474.842,40 76,41 33,42 4,43 83,44 1.135,45 0.035,46 95444,47 1.005,48 2.109,49 39.597,50 1.078,51 1.676,52 1.481,53 1.442,54 239,55 19.041,56 0.05,57 2,58 5.023,59 376.675,60 376.675,61 376.675,62 376.675,63 4.255,64 4.255,65 11.741,66 11.741,67 11.741,68 6.937,69 6.971}
{0 CHEMBL591975,1 1,2 6,3 1,4 25.118,5 270.735,6 6,7 361.048,9 8.697,11 16.786,12 0.956,13 5.756,15 4.224,16 0.073,17 4.024,18 0.75,19 3300,20 12.044,21 282.506,22 1.708,23 1.704,25 0.578,26 7.166,27 47.2,28 0.67,29 0.25,30 5.251,32 1.653,33 0.781,34 4,35 625551,36 5.026,37 74.234,38 8.493,39 406.428,40 67,41 27,42 1,43 74,44 1.143,45 0.026,46 74743,47 0.879,48 2.108,49 31.555,50 1.106,51 1.655,52 1.428,53 1.377,54 194,55 19.041,56 0.01,58 4.905,59 306.049,60 306.049,61 306.049,62 306.049,63 4.255,64 4.255,65 11.741,66 11.741,67 11.741,68 6.937,69 7.538}
{0 CHEMBL592015,1 1,2 8,3 1,4 28.759,5 317.82,6 8,7 408.132,9 9.701,11 16.786,12 1.044,13 5.769,15 4.224,16 0.07,17 4.184,18 0.75,19 3900,20 14.227,21 282.506,22 1.905,23 1.863,25 0.626,26 8.335,27 54.612,28 0.67,29 0.24,30 5.366,32 1.663,33 0.828,34 4,35 687026,36 5.118,37 81.064,38 9.487,39 451.857,40 73,41 31,42 3,43 80,44 1.181,45 0.027,46 88249,47 0.963,48 2.109,49 36.981,50 1.087,51 1.673,52 1.479,53 1.44,54 224,55 19.041,56 0.038,58 4.985,59 353.133,60 353.133,61 353.133,62 353.133,63 4.255,64 4.255,65 11.741,66 11.741,67 11.741,68 6.937,69 7.004}
{0 CHEMBL592062,1 1,2 10,3 1,4 32.271,5 364.904,6 10,7 455.217,9 10.711,11 16.786,12 1.052,13 5.788,15 4.224,16 0.067,17 4.326,18 0.75,19 4512,20 16.336,21 329.591,22 1.949,23 1.926,25 0.634,26 9.485,27 62.479,28 0.5,29 0.23,30 5.469,32 1.689,33 0.868,34 4,35 750165,36 5.202,37 87.894,38 10.487,39 497.999,40 79,41 35,42 5,43 86,44 1.125,45 0.041,46 102939,47 1.046,48 2.109,49 42.126,50 1.068,51 1.686,52 1.485,53 1.446,54 254,55 19.041,56 0.059,57 4,58 5.06,59 400.217,60 400.217,61 400.217,62 400.217,63 4.255,64 4.255,65 11.741,66 11.741,67 11.741,68 6.937,69 7.066}
{0 CHEMBL592644,1 2,2 10,3 1,4 29.297,5 329.591,6 10,7 420.122,9 10,12 1.024,13 5.773,15 4.174,16 0.092,17 4.244,18 0.75,19 3742,20 14.058,21 294.278,22 1.729,23 1.709,25 0.603,26 8.321,27 59.533,28 0.33,29 0.246,30 5.356,32 1.659,33 0.876,35 332987,36 5.111,37 79.645,38 9.666,39 436.632,40 71,41 31,42 5,43 77,44 1.117,45 0.031,46 84318,47 1.025,48 2.109,49 37.535,50 1.064,51 1.668,52 1.441,53 1.38,54 252,55 18.619,56 0.064,57 4,58 4.963,59 364.904,60 364.904,61 364.904,62 364.904,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.548}
{0 CHEMBL596896,2 6,3 1,4 22.786,5 317.82,6 9,7 368.11,8 1,9 5.975,10 1,11 18.011,12 0.825,13 5.027,14 1,15 4.004,16 0.132,17 3.383,18 1,19 1271,20 12.792,21 270.735,22 1.654,23 1.578,24 1,25 0.415,26 7.5,27 22.892,28 1,29 0.351,30 5.153,32 1.429,33 1.026,34 2,35 6654,36 4.821,37 61.813,38 6.935,39 317.975,40 55,41 28,42 5,43 57,44 0.97,45 -0.07,46 17643,47 0.756,48 1.963,49 31.683,50 1.399,51 1.419,52 1.154,53 1.116,54 100,55 16.905,56 -0.08,57 8,58 4.626,59 317.82,60 317.82,61 317.82,62 317.82,63 4.064,64 4.064,65 10.182,66 10.182,67 10.182,68 6.516,69 4.765}
{0 CHEMBL597192,1 3,2 12,3 0.5,4 33.597,5 454.586,6 15,7 434.76,9 10.206,11 36.022,12 1.129,13 5.767,15 4.115,16 0.084,17 4.197,18 0.63,19 2468,20 17.253,21 329.591,22 1.863,23 1.825,24 2,25 0.738,26 9.905,27 41.247,28 0.67,29 0.284,30 5.492,32 1.596,33 0.992,34 5,35 74763,36 5.179,37 83.762,38 10.671,39 459.5,40 74,41 38,42 8,43 78,44 1.194,45 -0.001,46 55358,47 1.137,48 2.072,49 45.074,50 0.983,51 1.604,52 1.365,53 1.313,54 171,55 18.879,56 0.033,57 6,58 4.972,59 423.76,60 423.76,61 423.76,62 423.76,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.54}
{0 CHEMBL597801,1 3,2 14,3 0.5,4 36.041,5 478.128,6 16,7 494.447,9 11.581,11 36.022,12 1.143,13 5.837,15 4.116,16 0.082,17 4.402,18 0.63,19 3544,20 17.876,21 353.133,22 1.87,23 1.855,24 2,25 0.748,26 10.343,27 54.24,28 0.5,29 0.258,30 5.544,32 1.695,33 0.989,34 4,35 89828,36 5.249,37 90.596,38 11.521,39 505.754,40 80,41 40,42 8,43 84,44 1.176,45 0.004,46 83131,47 1.207,48 2.072,49 48.363,50 1.076,51 1.707,52 1.442,53 1.392,54 219,55 18.879,56 0.018,57 6,58 5.053,59 447.302,60 447.302,61 447.302,62 447.302,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.97}
{0 CHEMBL597993,2 6,3 1,4 14.228,5 188.338,6 3,7 301.948,8 1,9 7.96,12 0.507,13 4.825,15 3.962,16 0.119,17 3.883,18 0.88,19 1080,20 8.34,21 200.109,22 1.375,23 1.424,25 0.218,26 5.031,27 29.846,28 0.83,29 0.344,30 4.846,32 1.226,33 0.966,35 11354,36 4.521,37 50.12,38 5.787,39 247.133,40 45,41 19,42 2,43 47,44 0.77,45 -0.008,46 28070,47 0.602,48 1.929,49 25.443,50 1.14,51 1.186,52 1.028,53 0.969,54 110,55 16.191,56 -0.025,57 2,58 4.364,59 223.651,60 223.651,61 223.651,62 223.651,63 3.888,64 3.888,65 9.632,66 9.632,67 9.632,68 6.389,69 5}
{0 CHEMBL598110,2 7,3 1,4 15.45,5 176.567,6 3,7 273.17,8 1,9 6.196,10 1,11 18.011,12 0.55,13 4.986,14 1,15 4.011,16 0.136,17 3.498,18 1,19 1166,20 7.8,21 211.88,22 1.509,23 1.519,24 1,25 0.218,26 4.847,27 23.373,28 1,29 0.36,30 4.796,31 1,32 1.422,33 0.955,34 2,35 5944,36 4.545,37 50.445,38 4.986,39 247.133,40 45,41 19,42 2,43 47,44 0.832,45 -0.085,46 22404,47 0.639,48 1.919,49 20.952,50 1.3,51 1.437,52 1.148,53 1.076,54 114,55 16.822,56 -0.117,58 4.392,59 211.88,60 211.88,61 211.88,62 211.88,63 4.014,64 4.014,65 10.086,66 10.086,67 10.086,68 6.483,69 4.517}
{0 CHEMBL598313,2 8,3 1,4 23.232,5 294.278,6 8,7 379.881,8 1,9 6.53,10 1,11 18.011,12 0.816,13 4.916,14 1,15 4.043,16 0.119,17 3.558,18 1,19 1530,20 13.073,21 329.591,22 1.7,23 1.66,24 1,25 0.469,26 7.691,27 27.933,28 1,29 0.331,30 5.153,32 1.524,33 0.956,34 2,35 8680,36 4.858,37 66.311,38 7.236,39 347.076,40 59,41 29,42 2,43 61,44 1.035,45 -0.063,46 24536,47 0.823,48 1.993,49 31.449,50 1.506,51 1.529,52 1.32,53 1.259,54 118,55 17.6,56 -0.075,57 14,58 4.667,59 329.591,60 329.591,61 329.591,62 329.591,63 4.134,64 4.134,65 10.587,66 10.587,67 10.587,68 6.644,69 4.699}
{0 CHEMBL598525,2 7,3 1,4 24.266,5 341.362,6 10,7 391.652,8 1,9 6.516,10 1,11 18.011,12 0.886,13 4.866,15 4.002,16 0.127,17 3.567,18 1,19 1438,20 13.715,21 294.278,22 1.706,23 1.678,24 1,25 0.469,26 8.029,27 26.786,28 1,29 0.336,30 5.242,32 1.429,33 1.066,34 2,35 7443,36 4.876,37 65.228,38 7.576,39 339.763,40 58,41 30,42 5,43 60,44 0.85,45 -0.044,46 19500,47 0.795,48 1.961,49 34.343,50 1.379,51 1.387,52 1.153,53 1.079,54 116,55 16.806,56 -0.048,57 9,58 4.68,59 341.362,60 341.362,61 341.362,62 341.362,63 4.015,64 4.015,65 10.083,66 10.083,67 10.083,68 6.482,69 5.151}
{0 CHEMBL598528,1 1,2 9,3 1,4 27.714,5 317.82,6 9,7 408.132,9 8.826,12 0.894,13 5.457,15 4.171,16 0.083,17 4.073,18 0.75,19 2748,20 13.519,21 282.506,22 1.649,23 1.665,25 0.578,26 8.095,27 51.556,28 0.67,29 0.276,30 5.264,32 1.585,33 0.874,35 161456,36 5.016,37 73.566,38 8.583,39 398.93,40 66,41 30,42 4,43 71,44 1.087,45 0.034,46 55317,47 0.857,48 2.109,49 35.116,50 1.056,51 1.567,52 1.328,53 1.273,54 226,55 18.619,56 0.044,57 2,58 4.872,59 353.133,60 353.133,61 353.133,62 353.133,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.57}
{0 CHEMBL598649,2 2,3 1,4 7.664,5 94.169,6 1,7 207.779,8 1,9 5.262,10 1,12 0.326,13 4.142,14 1,15 3.937,16 0.175,17 3.239,18 1,19 344,20 4.25,21 129.482,22 1.292,23 1.226,26 2.735,27 11.778,28 1,29 0.507,30 4.266,31 1,32 1.004,33 0.745,35 2685,36 4.062,37 32.459,38 3.675,39 140.881,40 29,41 11,43 30,44 0.686,45 -0.087,46 10048,47 0.412,48 1.893,49 13.041,50 1.415,51 0.962,52 0.849,53 0.827,54 52,55 16.191,56 -0.121,58 3.905,59 129.482,60 129.482,61 129.482,62 129.482,63 3.888,64 3.888,65 9.632,66 9.632,67 9.632,68 6.389,69 4.959}
{0 CHEMBL598650,2 4,3 1,4 10.015,5 141.253,6 1,7 254.864,8 1,9 7.063,10 1,12 0.344,13 4.619,14 1,15 3.967,16 0.128,17 3.703,18 0.88,19 830,20 6.116,21 176.567,22 1.343,23 1.322,25 0.105,26 3.865,27 23.583,28 0.83,29 0.37,30 4.64,32 1.226,33 0.915,35 9242,36 4.349,37 43.289,38 4.812,39 206.131,40 39,41 15,43 41,44 0.9,45 -0.107,46 22864,47 0.52,48 1.926,49 18.922,50 1.189,51 1.186,52 1.028,53 0.969,54 88,55 16.191,56 -0.12,58 4.208,59 176.567,60 176.567,61 176.567,62 176.567,63 3.888,64 3.888,65 9.632,66 9.632,67 9.632,68 6.389,69 5.097}
{0 CHEMBL598936,2 6,3 1,4 22.01,5 294.278,6 8,7 355.567,8 1,9 5.975,10 1,11 18.011,12 0.825,13 4.982,14 1,15 4,16 0.132,17 3.383,18 1,19 1271,20 11.373,21 294.278,22 1.65,23 1.576,24 1,25 0.34,26 6.859,27 22.892,28 1,29 0.351,30 5.061,31 1,32 1.429,33 0.961,34 2,35 6654,36 4.781,37 59.607,38 6.437,39 303.58,40 53,41 26,42 2,43 55,44 0.947,45 -0.042,46 19847,47 0.729,48 1.962,49 29.367,50 1.399,51 1.418,52 1.153,53 1.111,54 100,55 16.905,56 -0.1,57 6,58 4.598,59 294.278,60 294.278,61 294.278,62 294.278,63 4.063,64 4.063,65 10.182,66 10.182,67 10.182,68 6.516,69 4.467}
{0 CHEMBL599136,2 7,3 1,4 20.938,5 270.735,6 7,7 343.025,8 1,9 6.287,10 1,11 18.011,12 0.825,13 4.834,14 1,15 3.98,16 0.132,17 3.508,18 1,19 1319,20 10.029,21 270.735,22 1.564,23 1.529,24 1,25 0.235,26 6.215,27 25.032,28 1,29 0.348,30 5.015,31 1,32 1.429,33 0.974,34 2,35 6714,36 4.734,37 57.401,38 6.177,39 289.294,40 51,41 24,42 2,43 53,44 0.841,45 0.006,46 23059,47 0.701,48 1.92,49 28.025,50 1.277,51 1.377,52 1.153,53 1.064,54 122,55 16.806,56 -0.052,58 4.567,59 270.735,60 270.735,61 270.735,62 270.735,63 4.011,64 4.011,65 10.083,66 10.083,67 10.083,68 6.482,69 4}
{0 CHEMBL599243,1 3,2 14,3 0.5,4 36.041,5 478.128,6 16,7 494.447,9 11.581,11 36.022,12 1.133,13 5.887,15 4.116,16 0.081,17 4.402,18 0.63,19 3582,20 17.876,21 376.675,22 1.874,23 1.854,24 2,25 0.748,26 10.343,27 54.295,28 0.5,29 0.258,30 5.545,32 1.731,33 0.989,34 5,35 89793,36 5.249,37 90.596,38 11.496,39 505.754,40 80,41 40,42 8,43 84,44 1.17,45 0.003,46 83199,47 1.207,48 2.072,49 48.395,50 1.076,51 1.722,52 1.5,53 1.443,54 221,55 18.879,56 0.024,57 6,58 5.053,59 447.302,60 447.302,61 447.302,62 447.302,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.97}
{0 CHEMBL599529,2 8,3 1,4 27.962,5 388.446,6 12,7 449.736,8 1,9 6.619,11 18.011,12 0.996,13 4.837,15 4.028,16 0.116,17 3.566,18 1,19 1724,20 15.004,21 388.446,22 1.763,23 1.738,24 1,25 0.469,26 8.967,27 29.704,28 1,29 0.321,30 5.311,32 1.613,33 0.979,34 2,35 9670,36 5,37 73.268,38 8.427,39 391.454,40 65,41 34,42 2,43 67,44 1.017,45 0.002,46 25223,47 0.885,48 1.993,49 37.704,50 1.492,51 1.594,52 1.395,53 1.336,54 124,55 17.6,56 -0.037,57 14,58 4.803,59 388.446,60 388.446,61 388.446,62 388.446,63 4.133,64 4.133,65 10.586,66 10.586,67 10.586,68 6.643,69 5.552}
{0 CHEMBL599650,1 3,2 13,3 0.5,4 35.118,5 478.128,6 16,7 458.302,9 10.706,11 36.022,12 1.142,13 5.763,15 4.116,16 0.082,17 4.269,18 0.63,19 2718,20 18.156,21 329.591,22 1.905,23 1.86,24 2,25 0.747,26 10.431,27 44.447,28 0.67,29 0.277,30 5.539,32 1.639,33 1.009,34 5,35 79142,36 5.22,37 87.178,38 11.171,39 482.543,40 77,41 40,42 9,43 81,44 1.187,45 0.001,46 60349,47 1.175,48 2.072,49 47.099,50 0.969,51 1.641,52 1.385,53 1.327,54 183,55 18.879,56 0.036,57 6,58 5.011,59 447.302,60 447.302,61 447.302,62 447.302,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.79}
{0 CHEMBL599651,1 3,2 14,3 0.5,4 36.62,5 501.67,6 17,7 481.844,9 11.204,11 36.022,12 1.147,13 5.812,15 4.116,16 0.08,17 4.337,18 0.63,19 2968,20 19.05,21 353.133,22 1.927,23 1.883,24 2,25 0.753,26 10.956,27 47.737,28 0.67,29 0.27,30 5.584,32 1.691,33 1.024,34 5,35 83638,36 5.258,37 90.593,38 11.671,39 505.754,40 80,41 42,42 10,43 84,44 1.163,45 0.004,46 65576,47 1.214,48 2.072,49 49.083,50 0.955,51 1.683,52 1.433,53 1.362,54 195,55 18.879,56 0.038,57 8,58 5.048,59 470.844,60 470.844,61 470.844,62 470.844,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 7.91}
{0 CHEMBL599652,1 3,2 13,3 0.5,4 34.467,5 454.586,6 15,7 470.904,9 11.089,11 36.022,12 1.132,13 5.841,15 4.115,16 0.084,17 4.337,18 0.63,19 3274,20 16.958,21 353.133,22 1.865,23 1.844,24 2,25 0.743,26 9.811,27 50.363,28 0.5,29 0.264,30 5.498,32 1.653,33 0.971,34 4,35 85136,36 5.21,37 87.181,38 11.021,39 482.543,40 77,41 38,42 7,43 81,44 1.194,45 0.002,46 76936,47 1.169,48 2.072,49 46.191,50 1.09,51 1.668,52 1.404,53 1.359,54 207,55 18.879,56 0.013,57 6,58 5.016,59 423.76,60 423.76,61 423.76,62 423.76,63 4.207,64 4.207,65 11.348,66 11.348,67 11.348,68 6.829,69 8.01}
{0 CHEMBL600182,1 2,2 9,3 1,4 27.545,5 306.049,6 9,7 396.58,9 9.518,12 0.901,13 5.782,15 4.174,16 0.094,17 4.172,18 0.75,19 3422,20 13.035,21 270.735,22 1.65,23 1.668,25 0.578,26 7.76,27 55.454,28 0.5,29 0.252,30 5.299,32 1.628,33 0.854,35 316130,36 5.066,37 76.23,38 9.166,39 413.947,40 68,41 29,42 4,43 74,44 1.128,45 0.025,46 77947,47 0.986,48 2.109,49 34.965,50 1.075,51 1.654,52 1.351,53 1.292,54 234,55 18.619,56 0.055,57 2,58 4.923,59 341.362,60 341.362,61 341.362,62 341.362,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.604}
{0 CHEMBL600586,1 2,2 6,3 1,4 22.084,5 235.422,6 6,7 325.954,9 8.097,12 0.853,13 5.633,15 4.174,16 0.101,17 3.928,18 0.75,19 2502,20 9.861,21 247.193,22 1.646,23 1.658,25 0.522,26 6.051,27 43.611,28 0.5,29 0.27,30 5.107,32 1.549,33 0.773,35 267805,36 4.917,37 65.985,38 7.672,39 347.076,40 59,41 23,42 1,43 65,44 1.176,45 0.022,46 60498,47 0.867,48 2.108,49 26.703,50 1.108,51 1.537,52 1.287,53 1.239,54 180,55 18.619,56 0.012,58 4.791,59 270.735,60 270.735,61 270.735,62 270.735,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.606}
{0 CHEMBL600587,1 2,2 8,3 1,4 25.76,5 282.506,6 8,7 373.038,9 9.04,12 0.853,13 5.734,15 4.174,16 0.097,17 4.095,18 0.75,19 3108,20 11.996,21 247.193,22 1.647,23 1.663,25 0.578,26 7.194,27 51.493,28 0.5,29 0.257,30 5.239,32 1.555,33 0.829,35 299648,36 5.019,37 72.815,38 8.666,39 391.454,40 65,41 27,42 3,43 71,44 1.181,45 0.018,46 71856,47 0.946,48 2.109,49 32.295,50 1.086,51 1.615,52 1.294,53 1.248,54 216,55 18.619,56 0.043,58 4.881,59 317.82,60 317.82,61 317.82,62 317.82,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.38}
{0 CHEMBL602662,1 1,2 6,3 1,4 22.554,5 247.193,6 6,7 337.506,8 1,9 7.502,10 1,12 0.853,13 5.364,15 4.171,16 0.09,17 3.821,18 0.88,19 1972,20 10.412,21 258.964,22 1.646,23 1.652,25 0.522,26 6.399,27 39.66,28 0.83,29 0.298,30 5.065,32 1.548,33 0.794,35 132058,36 4.86,37 63.32,38 7.089,39 332.475,40 57,41 24,42 1,43 62,44 1.069,45 0.033,46 42836,47 0.734,48 2.108,49 27.545,50 1.096,51 1.536,52 1.285,53 1.237,54 169,55 18.619,56 0.005,58 4.733,59 282.506,60 282.506,61 282.506,62 282.506,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.523}
{0 CHEMBL602663,1 1,2 7,3 1,4 24.309,5 270.735,6 7,7 361.048,8 1,9 7.933,12 0.853,13 5.428,15 4.171,16 0.088,17 3.908,18 0.88,19 2222,20 11.468,21 258.964,22 1.647,23 1.661,25 0.524,26 6.969,27 43.533,28 0.67,29 0.29,30 5.136,32 1.549,33 0.823,35 141502,36 4.915,37 66.735,38 7.583,39 354.413,40 60,41 26,42 2,43 65,44 1.13,45 0.019,46 46755,47 0.775,48 2.109,49 30.105,50 1.083,51 1.537,52 1.289,53 1.242,54 188,55 18.619,56 0.019,58 4.782,59 306.049,60 306.049,61 306.049,62 306.049,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.654}
{0 CHEMBL602861,1 1,2 8,3 1,4 26.028,5 294.278,6 8,7 384.59,9 8.375,12 0.853,13 5.394,15 4.171,16 0.086,17 3.992,18 0.75,19 2481,20 12.502,21 258.964,22 1.647,23 1.662,25 0.578,26 7.535,27 47.527,28 0.67,29 0.283,30 5.202,32 1.549,33 0.85,35 151301,36 4.967,37 70.151,38 8.083,39 376.569,40 63,41 28,42 3,43 68,44 1.138,45 0.027,46 50914,47 0.816,48 2.109,49 32.66,50 1.069,51 1.537,52 1.292,53 1.246,54 207,55 18.619,56 0.033,58 4.828,59 329.591,60 329.591,61 329.591,62 329.591,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.651}
{0 CHEMBL605344,1 1,2 10,3 1,4 29.369,5 341.362,6 10,7 431.675,9 9.283,12 1.004,13 5.431,15 4.172,16 0.081,17 4.149,18 0.75,19 3059,20 14.519,21 306.049,22 1.723,23 1.686,25 0.6,26 8.651,27 55.524,28 0.5,29 0.27,30 5.323,32 1.654,33 0.896,35 171968,36 5.063,37 76.981,38 9.083,39 421.488,40 69,41 32,42 5,43 74,44 1.08,45 0.039,46 59968,47 0.897,48 2.109,49 37.487,50 1.043,51 1.642,52 1.427,53 1.365,54 246,55 18.619,56 0.052,57 4,58 4.915,59 376.675,60 376.675,61 376.675,62 376.675,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.379}
{0 CHEMBL605631,2 7,3 1,4 21.809,5 294.278,6 8,7 355.567,8 1,9 6.287,10 1,11 18.011,12 0.825,13 4.883,14 1,15 3.985,16 0.132,17 3.508,18 1,19 1319,20 11.484,21 247.193,22 1.567,23 1.533,24 1,25 0.308,26 6.859,27 25.032,28 1,29 0.348,30 5.112,31 1,32 1.429,33 1.042,34 2,35 6714,36 4.776,37 59.607,38 6.675,39 303.58,40 53,41 26,42 5,43 55,44 0.874,45 -0.029,46 20647,47 0.729,48 1.923,49 30.496,50 1.277,51 1.377,52 1.153,53 1.064,54 122,55 16.806,56 -0.035,57 2,58 4.596,59 294.278,60 294.278,61 294.278,62 294.278,63 4.012,64 4.012,65 10.083,66 10.083,67 10.083,68 6.482,69 4.398}
{0 CHEMBL606203,1 2,2 7,3 1,4 23.94,5 258.964,6 7,7 349.496,9 8.565,12 0.853,13 5.684,15 4.174,16 0.099,17 4.014,18 0.75,19 2801,20 10.939,21 247.193,22 1.647,23 1.661,25 0.525,26 6.625,27 47.608,28 0.5,29 0.263,30 5.175,32 1.549,33 0.803,35 283540,36 4.969,37 69.4,38 8.166,39 369.16,40 62,41 25,42 2,43 68,44 1.193,45 0.008,46 66041,47 0.907,48 2.109,49 29.51,50 1.097,51 1.567,52 1.29,53 1.243,54 198,55 18.619,56 0.027,58 4.837,59 294.278,60 294.278,61 294.278,62 294.278,63 4.246,64 4.246,65 11.319,66 11.319,67 11.319,68 6.815,69 5.539}
{0 CHEMBL609132,2 1,3 1,4 19.522,5 267.642,6 7,7 235.422,8 1,9 4.347,10 1,12 0.8,13 4.392,14 1,15 4.065,16 0.177,17 2.846,18 0.88,19 600,20 10.122,21 176.567,22 1.478,23 1.429,25 0.248,26 5.654,27 12.364,28 1,29 0.469,30 5.012,31 1,32 1.287,33 0.916,35 25766,36 4.623,37 46.653,38 6.086,39 226.477,40 42,41 20,42 3,43 46,44 1.249,45 0.024,46 9068,47 0.597,48 2.011,49 31.062,50 0.946,51 1.266,52 1.008,53 0.948,54 48,55 19.731,58 4.452,59 235.422,60 235.422,61 235.422,62 235.422,63 4.272,64 4.272,65 12.2,66 12.2,67 12.2,68 7.058,69 5.523}
{0 CHEMBL610507,2 5,3 1,4 12.167,5 164.795,6 2,7 278.406,8 1,9 7.509,10 1,12 0.347,13 4.726,15 3.964,16 0.123,17 3.795,18 0.88,19 954,20 7.246,21 176.567,22 1.362,23 1.399,25 0.218,26 4.452,27 26.714,28 0.83,29 0.357,30 4.75,32 1.226,33 0.942,35 10268,36 4.439,37 46.705,38 5.287,39 226.477,40 42,41 17,42 1,43 44,44 0.791,45 -0.03,46 25375,47 0.561,48 1.928,49 22.404,50 1.164,51 1.186,52 1.028,53 0.969,54 99,55 16.191,56 -0.053,58 4.289,59 200.109,60 200.109,61 200.109,62 200.109,63 3.888,64 3.888,65 9.632,66 9.632,67 9.632,68 6.389,69 5.046}
{0 CHEMBL610796,2 8,3 1,4 16.533,5 211.88,6 4,7 336.709,9 8.424,12 0.609,13 4.918,15 4.001,16 0.136,17 3.971,18 0.88,19 1242,20 9.246,21 223.651,22 1.476,23 1.507,25 0.218,26 5.604,27 32.815,28 0.83,29 0.332,30 4.904,32 1.318,33 0.958,35 12481,36 4.598,37 53.454,38 6.062,39 268.078,40 48,41 21,42 2,43 50,44 0.843,45 -0.049,46 31157,47 0.612,48 1.948,49 27.283,50 1.117,51 1.294,52 1.094,53 1.029,54 120,55 16.191,56 -0.066,57 2,58 4.443,59 247.193,60 247.193,61 247.193,62 247.193,63 3.885,64 3.885,65 9.632,66 9.632,67 9.632,68 6.389,69 5.556}
{0 CHEMBL636,2 5,3 1,4 17.285,5 258.964,6 7,7 295.109,8 1,9 4.878,10 1,12 0.622,13 4.478,14 1,15 3.956,16 0.21,17 3.127,18 1,19 372,20 7.98,21 188.338,22 1.567,23 1.5,25 0.164,26 5.252,27 12.519,28 1,29 0.517,30 4.642,31 1,32 1.308,33 0.762,35 1461,36 4.518,37 45.567,38 4.427,39 212.877,40 40,41 22,42 1,43 40,44 1.193,45 -0.149,46 5366,47 0.54,48 1.922,49 19.749,50 1.585,51 1.239,52 0.934,53 0.885,54 50,55 15.845,56 -0.108,58 4.28,59 258.964,60 258.964,61 258.964,62 258.964,63 3.914,64 3.914,65 9.308,66 9.308,67 9.308,68 6.301,69 4.7}
{0 CHEMBL659,2 1,3 1,4 19.599,5 235.422,6 9,7 300.105,8 1,9 4.044,10 1,12 0.572,13 4.975,14 1,15 4.102,16 0.169,17 2.768,18 1,19 440,20 9.762,21 188.338,22 1.52,23 1.451,25 0.405,26 5.622,27 11.66,28 1,29 0.655,30 4.953,31 1,32 1.323,33 0.807,34 2,35 17777,36 4.637,37 47.279,38 5.987,39 226.477,40 42,41 21,42 4,43 45,44 1.205,45 -0.044,46 8114,47 0.58,48 1.944,49 26.749,50 1.648,51 1.307,52 1.091,53 1.038,54 52,55 24.188,56 -0.047,58 4.469,59 235.422,60 235.422,61 235.422,62 235.422,63 4.712,64 4.712,65 15.709,66 15.709,67 15.709,68 8.074,69 4.823}
{0 CHEMBL742,2 2,3 1,4 13.602,5 176.567,6 6,7 240.86,8 1,9 3.554,10 1,11 18.011,12 0.482,13 4.601,14 1,15 4.005,16 0.249,17 2.532,18 1,19 264,20 7.627,21 153.024,22 1.284,23 1.252,24 1,26 4.302,27 7.688,28 1,29 0.89,30 4.657,31 1,32 1.063,33 0.943,34 2,35 1676,36 4.289,37 35.973,38 4.588,39 160,40 32,41 16,42 4,43 33,44 1.156,45 0.061,46 4219,47 0.425,48 1.969,49 21.651,50 1.623,51 1.02,52 0.868,53 0.824,54 30,55 23.278,56 0.075,57 4,58 4.105,59 176.567,60 176.567,61 176.567,62 176.567,63 4.607,64 4.607,65 15.132,66 15.132,67 15.132,68 7.977,69 5}
{0 CHEMBL7568,1 2,2 9,3 1,4 25.526,5 341.362,6 10,7 391.51,9 6.435,11 18.011,12 0.869,13 5.116,15 4.162,16 0.111,17 3.541,18 1,19 1422,20 12.95,21 188.338,22 1.725,23 1.638,24 1,25 0.439,26 7.825,27 28.184,28 1,29 0.381,30 5.167,32 1.574,33 0.874,34 4,35 17729,36 4.891,37 65.461,38 7.501,39 339.763,40 58,41 30,42 3,43 60,44 0.969,45 0.108,46 19957,47 0.808,48 2.113,49 34.636,50 1.47,51 1.538,52 1.309,53 1.239,54 124,55 18.97,56 0.097,58 4.684,59 341.362,60 341.362,61 341.362,62 341.362,63 4.231,64 4.231,65 11.429,66 11.429,67 11.429,68 6.846,69 5.347}
{0 CHEMBL807,3 1,4 17.381,5 223.651,6 12,7 223.651,8 1,9 2.66,10 1,12 0.433,13 3.749,15 4.098,16 0.248,17 1.954,18 1,19 59,20 10.849,21 153.024,22 1.293,23 1.192,25 0.325,26 5.622,27 3.195,28 0.67,29 0.924,30 4.984,32 1.15,33 1.006,34 3,35 2352,36 4.501,37 38.65,38 5.69,39 172.974,40 34,41 21,42 6,43 36,45 -0.449,46 1065,47 0.489,48 2.086,49 26.516,50 1.776,51 1.084,52 0.79,53 0.665,54 11,55 21.861,56 -0.459,57 13,58 4.29,59 223.651,60 223.651,61 223.651,62 223.651,63 4.682,64 4.682,65 13.861,66 13.861,67 13.861,68 7.489,69 5}
{0 CHEMBL85139,3 1,4 10.733,5 141.253,6 2,7 166.398,8 1,9 4.63,10 1,11 16.786,12 0.402,13 5.015,14 1,15 4.173,16 0.147,17 3.048,18 0.88,19 518,20 6.153,21 117.711,22 1.3,23 1.352,25 0.114,26 3.382,27 14.19,28 0.83,29 0.46,30 4.681,31 1,32 1.143,33 0.876,34 3,35 35864,36 4.374,37 38.78,38 4.518,39 179.525,40 35,41 13,42 1,43 39,44 1.039,45 -0.051,46 11938,47 0.506,48 1.97,49 16.293,50 1.207,51 1.141,52 0.945,53 0.889,54 52,55 19.734,56 0.009,58 4.24,59 141.253,60 141.253,61 141.253,62 141.253,63 4.325,64 4.325,65 11.947,66 11.947,67 11.947,68 7,69 4}
{0 CHEMBL94,2 2,3 1,4 19.073,5 223.651,6 8,7 271.567,8 1,9 4.564,10 1,11 18.011,12 0.642,13 4.796,14 1,15 4.089,16 0.181,17 3.025,18 1,19 440,20 8.999,21 211.88,22 1.577,23 1.522,24 1,25 0.15,26 5.272,27 13.5,28 1,29 0.696,30 4.819,31 1,32 1.354,33 0.696,35 7381,36 4.62,37 46.651,38 5.158,39 219.66,40 41,41 21,42 1,43 43,44 0.738,45 -0.18,46 7706,47 0.61,48 1.903,49 23.144,50 1.776,51 1.291,52 1.014,53 0.899,54 64,55 23.813,56 -0.151,57 3,58 4.409,59 235.422,60 235.422,61 235.422,62 235.422,63 4.714,64 4.714,65 15.306,66 15.306,67 15.306,68 8.006,69 7.382}
{0 CHEMBL95,1 2,3 1,4 11.492,5 141.253,6 4,7 141.253,8 1,9 3.459,10 1,12 0.248,13 4.513,14 1,15 4.105,16 0.196,17 2.554,18 1,19 142,20 6.976,21 141.253,22 1.201,23 1.196,26 3.808,27 6.373,28 0.67,29 0.649,30 4.528,32 1.039,33 0.996,34 2,35 4073,36 4.181,37 32.488,38 3.834,39 140.881,40 29,41 14,42 4,43 31,44 1.139,45 -0.012,46 3058,47 0.42,48 2.069,49 16.162,50 1.231,51 1.002,52 0.699,53 0.623,54 20,55 18.567,56 0.032,57 6,58 4.005,59 141.253,60 141.253,61 141.253,62 141.253,63 4.185,64 4.185,65 11.036,66 11.036,67 11.036,68 6.769,69 7.678}