@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2971

@attribute molecule_id 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@attribute nArNHR numeric
@attribute SaaN numeric
@attribute MATS1p numeric
@attribute C.032 numeric
@attribute CATS2D_07_AA numeric
@attribute n124.Triazines numeric
@attribute Chi1_EA.dm. numeric
@attribute MATS1i numeric
@attribute MATS1v numeric
@attribute IC2 numeric
@attribute GATS1p numeric
@attribute Eta_betaS_A numeric
@attribute ATSC1i numeric
@attribute TIC2 numeric
@attribute SpMin3_Bh.e. numeric
@attribute P_VSA_m_2 numeric
@attribute SpMin4_Bh.v. numeric
@attribute Chi0_EA.dm. numeric
@attribute N.073 numeric
@attribute TIC3 numeric
@attribute SpMin4_Bh.p. numeric
@attribute nCIC numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SsssN numeric
@attribute Mi numeric
@attribute C. numeric
@attribute SpMin3_Bh.v. numeric
@attribute NssCH2 numeric
@attribute MPC08 numeric
@attribute GATS1v numeric
@attribute C.006 numeric
@attribute SssCH2 numeric
@attribute IC3 numeric
@attribute nHet numeric
@attribute piPC10 numeric
@attribute piPC03 numeric
@attribute ISIZ numeric
@attribute nAT numeric
@attribute SpMin3_Bh.m. numeric
@attribute nN numeric
@attribute nCsp3 numeric
@attribute MATS1m numeric
@attribute DLS_04 numeric
@attribute SpMin7_Bh.m. numeric
@attribute Mp numeric
@attribute H.047 numeric
@attribute SpMin3_Bh.s. numeric
@attribute ATSC6v numeric
@attribute IC5 numeric
@attribute SpMax3_Bh.v. numeric
@attribute nBM numeric
@attribute Uc numeric
@attribute SpMax3_Bh.p. numeric
@attribute NRS numeric
@attribute Eig03_AEA.ri. numeric
@attribute SpMin8_Bh.m. numeric
@attribute D.Dtr09 numeric
@attribute P_VSA_i_4 numeric
@attribute Eig03_EA.ri. numeric
@attribute ATS4i numeric
@attribute P_VSA_e_3 numeric
@attribute Mv numeric
@attribute piPC07 numeric
@attribute ATSC2m numeric
@attribute Eig08_AEA.dm. numeric
@attribute SpMin7_Bh.p. numeric
@attribute N.075 numeric
@attribute NaaN numeric
@attribute pXC50 numeric

@data
{2 8.82,3 0.009,5 1,7 2.498,8 -0.04,9 0.039,10 4.125,11 0.931,12 0.63,13 0.666,14 177.355,15 1.814,16 198.474,17 1.633,18 4.368,19 1,20 200.574,21 1.597,22 4,23 1.782,24 1.429,25 0.157,27 1.113,28 48.8,29 1.928,31 4.99,32 0.805,35 4.665,36 6,37 8.403,38 5.025,39 233.329,40 43,41 1.921,42 3,43 1,44 0.116,45 0.6,46 1.181,47 0.73,48 13,49 0.975,50 9.636,51 4.758,52 3.748,53 24,54 4.644,55 3.747,56 4,57 3.558,58 1.181,60 65.317,61 2.526,62 4.762,63 50.357,64 0.699,65 7.074,66 14.667,67 1.488,68 1.062,69 2,70 2,71 5.3}
{0 CHEMBL101253,1 1,2 12.929,3 0.023,5 1,7 28.435,8 0.037,9 0.028,10 4.091,11 0.8,12 0.63,13 0.569,14 163.658,15 1.827,16 203.188,17 1.544,18 18.364,19 1,20 188.877,21 1.553,22 4,23 1.793,24 1.354,25 0.116,27 1.111,28 50,29 1.939,30 1,31 4.812,32 0.771,34 0.72,35 4.722,36 5,37 8.027,38 4.951,39 212.877,40 40,41 1.943,42 4,43 1,44 0.023,45 0.6,46 1.181,47 0.736,48 10,49 1.033,50 7.282,51 4.872,52 3.758,53 23,54 4.585,55 3.757,56 3,57 3.508,58 1.122,60 68.122,61 2.46,62 4.732,63 68.122,64 0.702,65 6.84,66 10.545,67 1.288,68 1.062,69 3,70 3,71 5.35}
{0 CHEMBL101311,1 2,2 8.675,3 -0.056,4 1,5 2,7 48.136,8 -0.244,9 -0.01,10 4.681,11 0.988,12 0.667,13 0.772,14 248.07,15 1.699,16 203.05,17 1.837,18 29.83,19 2,20 272.07,21 1.842,22 3,23 1.653,24 1.654,25 0.101,26 1.907,27 1.131,28 39.6,29 1.905,30 2,31 4.533,32 0.91,33 2,34 0.773,35 5.133,36 9,37 7.286,38 4.76,39 303.58,40 53,41 1.894,42 5,43 5,44 0.007,45 1,46 1.239,47 0.684,48 19,49 1.054,50 12.098,51 5.171,52 3.631,53 18,54 4.248,55 3.609,56 3,57 3.511,58 1.191,60 72.717,61 2.378,62 5.112,63 72.717,64 0.65,65 6.148,66 19.414,67 2.054,68 1.239,69 2,70 2,71 6.9}
{0 CHEMBL103667,2 4.812,3 -0.067,5 1,7 47.755,8 -0.126,9 -0.005,10 4.582,11 1.168,12 0.647,13 1.114,14 348.22,15 1.784,16 245.668,17 1.946,18 36.989,19 1,20 390.539,21 1.919,22 5,23 1.737,24 1.735,25 0.084,26 2.346,27 1.128,28 40.8,29 1.977,30 6,31 5.165,32 1.032,33 6,34 4.856,35 5.139,36 8,37 7.802,38 5.201,39 474.842,40 76,41 1.992,42 5,43 11,44 0.071,45 0.9,46 1.598,47 0.652,48 23,49 1.211,50 18.535,51 5.326,52 3.734,53 23,54 4.585,55 3.737,56 4,57 3.921,58 1.513,60 57.585,61 2.833,62 5.615,63 57.585,64 0.614,65 7.013,66 32.2,67 2.177,68 1.576,69 1,70 1,71 5.3}
{0 CHEMBL104466,1 1,2 9.036,3 -0.083,7 26.603,8 -0.2,9 -0.004,10 4.135,11 1.26,12 0.67,13 0.618,14 177.82,15 1.444,16 128.589,17 1.54,18 18.876,20 187.82,21 1.525,22 3,23 1.404,24 1.194,25 0.135,27 1.136,28 37.2,29 1.666,30 4,31 4.533,32 1.063,34 3.576,35 4.368,36 6,37 7.048,38 4.582,39 233.329,40 43,41 1.626,42 3,43 8,44 0.051,45 1,46 1.34,47 0.633,48 10,49 0.825,50 8.693,51 4.507,52 3.364,53 11,54 3.585,55 3.335,56 2,57 3.472,58 1.113,60 51.582,61 2.371,62 4.947,63 51.582,64 0.603,65 6.525,66 18.776,67 1.023,68 1.293,69 2,70 2,71 4.301}
{0 CHEMBL105442,1 1,3 0.03,7 19.271,8 0.042,9 0.043,10 4.629,11 0.56,12 0.63,13 0.668,14 180.521,15 1.429,16 132.485,17 1.429,18 16.843,19 1,20 194.131,21 1.425,22 3,23 1.379,24 1.153,25 0.15,27 1.13,28 43.6,29 1.68,30 3,31 4.304,32 0.716,33 1,34 2.541,35 4.978,36 8,37 6.773,38 4.635,39 206.131,40 39,41 1.676,42 2,43 4,44 -0.002,45 0.8,46 1.093,47 0.754,48 7,49 1.015,50 6.804,51 4.978,52 3.775,53 13,54 3.807,55 3.788,56 3,57 3.652,58 1.006,60 68.556,61 2.547,62 4.655,63 38.636,64 0.708,65 5.966,66 4.693,67 1.985,68 1.016,71 5}
{0 CHEMBL1076221,2 13.576,3 -0.11,4 1,7 38.312,8 -0.307,9 -0.021,10 4.922,11 0.957,12 0.733,13 0.732,14 221.482,15 1.719,16 191.995,17 1.696,18 26.807,19 1,20 241.133,21 1.688,22 6,23 1.673,24 1.514,25 0.11,26 1.664,27 1.121,28 46.7,29 1.873,30 2,31 5.565,32 0.798,33 1,34 1.135,35 5.359,36 9,37 8.459,38 5.191,39 247.133,40 45,41 1.779,42 6,43 3,44 0.032,45 0.4,46 1.155,47 0.725,48 10,49 0.928,50 8.719,51 5.403,52 3.725,53 23,54 4.585,55 3.697,56 3,57 3.883,58 1.095,59 203.888,60 73.391,61 2.793,62 4.958,63 73.391,64 0.712,65 7.226,66 11.789,67 1.874,68 1.176,69 3,70 3,71 6.301}
{0 CHEMBL1076700,1 1,2 4.518,3 -0.086,7 48.48,8 -0.171,9 -0.012,10 5.008,11 1.186,12 0.665,13 1.246,14 380.578,15 1.802,16 235.934,17 1.931,18 34.343,19 1,20 414.578,21 1.918,22 5,23 1.772,24 1.692,25 0.08,26 4.055,27 1.137,28 40.8,29 1.968,30 8,31 5.389,32 1.023,33 7,34 4.96,35 5.455,36 10,37 8.607,38 5.253,39 474.842,40 76,41 1.949,42 5,43 11,44 0.054,45 0.9,46 1.559,47 0.651,48 28,49 1.177,50 18.519,51 5.481,52 3.793,53 23,54 4.585,55 3.777,56 4,57 3.946,58 1.513,59 193.83,60 88.976,61 2.862,62 5.595,63 59.056,64 0.624,65 7.267,66 31.682,67 2.559,68 1.602,69 1,70 1,71 8.301}
{0 CHEMBL1076721,2 8.022,3 -0.001,5 2,7 9.52,8 0.049,9 0.015,10 4.322,11 0.982,12 0.648,13 0.558,14 151.26,15 1.435,16 185.972,17 1.564,18 12.144,19 1,20 166.77,21 1.58,22 3,23 1.408,24 1.259,25 0.135,27 1.131,28 42.9,29 1.645,31 4.29,32 0.842,35 4.765,36 7,37 7.421,38 4.739,39 179.525,40 35,41 1.58,42 5,43 1,44 0.031,45 0.4,46 1.126,47 0.685,48 9,49 0.604,50 5.051,51 4.765,52 3.589,53 18,54 4.248,55 3.557,56 3,57 3.458,58 0.972,60 83.438,61 2.398,62 4.427,63 83.438,64 0.676,65 6.43,66 10.094,67 1.012,68 1.062,69 2,70 2,71 5.398}
{0 CHEMBL1077431,1 1,2 8.968,3 -0.045,4 1,5 2,7 34.965,8 -0.182,9 0.008,10 4.37,11 1.098,12 0.661,13 0.767,14 227.262,15 1.683,16 180.86,17 1.794,18 23.979,19 1,20 240.913,21 1.794,22 4,23 1.633,24 1.613,25 0.104,26 2.319,27 1.126,28 42.3,29 1.88,30 4,31 4.691,32 0.966,33 4,34 3.389,35 4.633,36 6,37 7.603,38 4.866,39 296.423,40 52,41 1.857,42 4,43 6,44 0.052,45 0.8,46 1.378,47 0.664,48 15,49 1.022,50 13.35,51 4.71,52 3.601,53 18,54 4.248,55 3.58,56 4,57 3.682,58 1.199,60 54.706,61 2.596,62 5.097,63 54.706,64 0.63,65 6.55,66 20.644,67 1.585,68 1.307,69 2,70 2,71 7.056}
{0 CHEMBL1077458,1 1,2 8.928,3 -0.081,4 1,5 2,7 42.12,8 -0.224,9 -0.008,10 4.262,11 1.112,12 0.672,13 0.795,14 221.629,15 1.674,16 210.088,17 1.797,18 26.781,19 1,20 246.158,21 1.801,22 4,23 1.622,24 1.611,25 0.11,26 2.315,27 1.128,28 42.3,29 1.877,30 4,31 4.745,32 0.956,33 4,34 3.371,35 4.734,36 7,37 7.638,38 4.818,39 296.423,40 52,41 1.855,42 5,43 5,44 0.057,45 0.8,46 1.206,47 0.669,48 17,49 1.021,50 12.494,51 4.917,52 3.589,53 19,54 4.322,55 3.566,56 4,57 3.559,58 1.181,60 72.717,61 2.48,62 5.013,63 72.717,64 0.64,65 6.55,66 19.854,67 1.579,68 1.269,69 2,70 2,71 6.056}
{0 CHEMBL1077575,1 1,2 8.906,3 -0.077,4 1,5 3,7 42.58,8 -0.21,9 -0.008,10 4.48,11 1.083,12 0.669,13 0.818,14 237.441,15 1.675,16 251.459,17 1.798,18 27.972,19 1,20 265.97,21 1.804,22 4,23 1.624,24 1.612,25 0.12,26 2.298,27 1.127,28 43.4,29 1.877,30 5,31 4.787,32 0.923,33 4,34 3.117,35 5.018,36 8,37 7.654,38 4.866,39 303.58,40 53,41 1.855,42 6,43 5,44 0.049,45 0.8,46 1.206,47 0.68,48 17,49 1.021,50 12.625,51 5.162,52 3.591,53 20,54 4.392,55 3.568,56 4,57 3.574,58 1.192,60 103.776,61 2.501,62 5.032,63 103.776,64 0.656,65 6.582,66 18.775,67 2.104,68 1.28,69 2,70 2,71 6.519}
{0 CHEMBL1077841,1 1,2 8.918,3 0.005,4 1,5 3,7 32.941,8 -0.141,9 0.016,10 4.473,11 0.929,12 0.653,13 0.825,14 237.05,15 1.686,16 244.073,17 1.791,18 23.088,19 1,20 257.58,21 1.772,22 4,23 1.639,24 1.625,25 0.124,26 2.404,27 1.122,28 43.4,29 1.865,30 5,31 4.779,32 0.877,33 5,34 4.501,35 4.86,36 8,37 7.723,38 4.896,39 303.58,40 53,41 1.822,42 6,43 5,44 0.058,45 0.8,46 1.197,47 0.702,48 19,49 1.04,50 13.418,51 5.011,52 3.608,53 20,54 4.392,55 3.615,56 4,57 3.715,58 1.181,60 103.776,61 2.678,62 5.029,63 103.776,64 0.665,65 6.629,66 22.004,67 2.258,68 1.293,69 2,70 2,71 7.161}
{0 CHEMBL1077842,1 1,2 8.848,3 -0.047,4 1,5 1,7 33.977,8 -0.158,9 0.018,10 4.711,11 1.164,12 0.654,13 0.914,14 273.234,15 1.867,16 246.608,17 1.829,18 24.46,19 1,20 293.763,21 1.846,22 4,23 1.861,24 1.667,25 0.139,26 2.147,27 1.125,28 41.4,29 1.986,30 6,31 4.844,32 0.93,33 6,34 2.245,35 5.065,36 10,37 7.761,38 4.947,39 339.763,40 58,41 1.901,42 6,43 6,44 0.168,45 0.8,46 1.429,47 0.688,48 21,49 1.134,50 13.643,51 5.134,52 3.828,53 22,54 4.524,55 3.845,56 4,57 3.739,58 1.181,60 103.776,61 2.692,62 5.236,63 103.776,64 0.659,65 6.634,66 24.341,67 2.392,68 1.376,69 2,70 2,71 7.284}
{0 CHEMBL1078005,1 1,2 9.089,3 -0.075,4 1,5 3,7 37.291,8 -0.204,9 -0.008,10 4.615,11 1.098,12 0.664,13 0.857,14 258.457,15 1.715,16 253.993,17 1.822,18 27.195,19 1,20 274.457,21 1.82,22 4,23 1.673,24 1.624,25 0.116,26 2.304,27 1.128,28 42.9,29 1.888,30 5,31 4.875,32 0.944,33 5,34 3.289,35 4.901,36 8,37 7.797,38 4.94,39 325.212,40 56,41 1.862,42 6,43 6,44 0.05,45 0.8,46 1.419,47 0.675,48 18,49 1.022,50 14.546,51 5.044,52 3.642,53 20,54 4.392,55 3.626,56 4,57 3.763,58 1.181,60 103.776,61 2.722,62 5.135,63 103.776,64 0.648,65 6.697,66 20.812,67 2.088,68 1.376,69 2,70 2,71 8.097}
{0 CHEMBL1078159,1 1,2 8.886,3 -0.077,4 1,5 2,7 35.82,8 -0.21,9 -0.008,10 4.586,11 1.083,12 0.669,13 0.818,14 243.05,15 1.678,16 251.459,17 1.797,18 24.769,19 1,20 267.58,21 1.803,22 4,23 1.629,24 1.612,25 0.119,26 2.296,27 1.127,28 43.4,29 1.877,30 5,31 4.787,32 0.923,33 5,34 3.26,35 5.049,36 8,37 7.706,38 4.896,39 303.58,40 53,41 1.855,42 6,43 5,44 0.049,45 0.8,46 1.209,47 0.68,48 19,49 1.021,50 12.765,51 5.162,52 3.598,53 20,54 4.392,55 3.575,56 4,57 3.68,58 1.203,60 103.776,61 2.633,62 5.031,63 103.776,64 0.656,65 6.619,66 18.906,67 1.951,68 1.299,69 2,70 2,71 6.264}
{0 CHEMBL1078165,1 1,2 9.024,3 -0.078,4 1,5 2,7 40.666,8 -0.212,9 -0.008,10 4.634,11 1.102,12 0.667,13 0.834,14 250.235,15 1.683,16 248.86,17 1.806,18 26.962,19 1,20 274.764,21 1.806,22 4,23 1.63,24 1.614,25 0.122,26 2.322,27 1.128,28 42.6,29 1.883,30 6,31 4.745,32 0.955,33 6,34 4.363,35 5.088,36 7,37 7.605,38 4.834,39 310.764,40 54,41 1.857,42 6,43 6,44 0.058,45 0.8,46 1.363,47 0.673,48 21,49 1.022,50 13.46,51 5.162,52 3.596,53 19,54 4.322,55 3.576,56 4,57 3.538,58 1.206,60 103.776,61 2.446,62 5.091,63 103.776,64 0.64,65 6.534,66 20.78,67 1.915,68 1.32,69 2,70 2,71 6.879}
{0 CHEMBL1078166,1 1,2 8.904,3 -0.077,4 1,5 2,7 42.58,8 -0.21,9 -0.008,10 4.369,11 1.083,12 0.669,13 0.818,14 231.541,15 1.677,16 251.459,17 1.801,18 27.972,19 1,20 256.07,21 1.807,22 4,23 1.627,24 1.614,25 0.12,26 2.302,27 1.127,28 43.4,29 1.878,30 5,31 4.796,32 0.923,33 4,34 3.148,35 4.832,36 8,37 7.702,38 4.866,39 303.58,40 53,41 1.855,42 6,43 5,44 0.049,45 0.8,46 1.206,47 0.68,48 17,49 1.021,50 12.465,51 5.011,52 3.595,53 20,54 4.392,55 3.572,56 4,57 3.582,58 1.181,60 103.776,61 2.52,62 5.032,63 103.776,64 0.656,65 6.579,66 18.775,67 2.128,68 1.285,69 2,70 2,71 8}
{0 CHEMBL1078178,1 1,2 8.89,3 -0.077,4 1,5 3,7 35.82,8 -0.21,9 -0.008,10 4.473,11 1.083,12 0.669,13 0.818,14 237.05,15 1.681,16 251.459,17 1.8,18 24.769,19 1,20 257.58,21 1.806,22 4,23 1.634,24 1.614,25 0.119,26 2.3,27 1.127,28 43.4,29 1.878,30 5,31 4.779,32 0.923,33 5,34 3.292,35 4.86,36 8,37 7.723,38 4.896,39 303.58,40 53,41 1.855,42 6,43 5,44 0.049,45 0.8,46 1.208,47 0.68,48 19,49 1.021,50 12.752,51 5.011,52 3.605,53 20,54 4.392,55 3.581,56 4,57 3.716,58 1.181,60 103.776,61 2.679,62 5.031,63 103.776,64 0.656,65 6.629,66 18.906,67 1.987,68 1.299,69 2,70 2,71 7.745}
{0 CHEMBL1078228,1 1,2 8.704,3 -0.077,4 1,5 3,7 35.381,8 -0.181,9 -0.008,10 4.671,11 1.081,12 0.672,13 0.887,14 247.58,15 1.681,16 251.103,17 1.797,18 24.726,19 1,20 267.58,21 1.807,22 4,23 1.634,24 1.612,25 0.116,26 1.962,27 1.133,28 43.4,29 1.878,30 5,31 4.852,32 0.915,33 5,34 2.452,35 5.049,36 9,37 7.778,38 4.94,39 303.58,40 53,41 1.849,42 6,43 5,44 0.039,45 0.8,46 1.204,47 0.679,48 18,49 1.01,50 12.022,51 5.162,52 3.605,53 20,54 4.392,55 3.581,56 4,57 3.718,58 1.181,60 118.736,61 2.684,62 5.043,63 103.776,64 0.663,65 6.663,66 18.053,67 2.139,68 1.3,69 2,70 2,71 6.936}
{0 CHEMBL1078229,1 1,2 8.936,3 -0.077,4 1,5 1,7 38.32,8 -0.21,9 -0.008,10 4.586,11 1.083,12 0.669,13 0.818,14 243.05,15 1.679,16 251.459,17 1.803,18 24.769,19 1,20 267.58,21 1.808,22 4,23 1.631,24 1.616,25 0.119,26 2.292,27 1.127,28 43.4,29 1.876,30 5,31 4.787,32 0.923,33 5,34 3.206,35 5.049,36 8,37 7.723,38 4.896,39 303.58,40 53,41 1.855,42 6,43 5,44 0.049,45 0.8,46 1.233,47 0.68,48 19,49 1.02,50 12.957,51 5.162,52 3.603,53 20,54 4.392,55 3.58,56 4,57 3.713,58 1.181,60 103.776,61 2.679,62 5.031,63 103.776,64 0.656,65 6.63,66 18.906,67 1.984,68 1.3,69 2,70 2,71 6.947}
{0 CHEMBL1078274,1 1,2 8.872,3 -0.087,4 1,5 3,7 37.154,8 -0.231,9 -0.009,10 4.509,11 1.134,12 0.679,13 0.739,14 225.438,15 1.661,16 182.441,17 1.775,18 25.017,19 1,20 245.438,21 1.784,22 4,23 1.613,24 1.602,25 0.102,26 2.308,27 1.127,28 42,29 1.868,30 4,31 4.7,32 0.956,33 4,34 3.355,35 4.909,36 7,37 7.608,38 4.842,39 282.193,40 50,41 1.853,42 4,43 5,44 0.054,45 0.8,46 1.204,47 0.665,48 19,49 1.02,50 11.837,51 4.989,52 3.577,53 18,54 4.248,55 3.552,56 4,57 3.626,58 1.181,60 54.706,61 2.505,62 4.977,63 54.706,64 0.639,65 6.532,66 19.376,67 1.577,68 1.27,69 2,70 2,71 8.523}
{0 CHEMBL1078275,1 1,2 8.939,3 -0.088,4 1,5 2,7 36.121,8 -0.204,9 0.014,10 4.617,11 1.231,12 0.65,13 0.87,14 253.936,15 1.719,16 200.562,17 1.793,18 24.587,19 1,20 278.465,21 1.751,22 4,23 1.734,24 1.589,25 0.131,26 2.471,27 1.127,28 40,29 1.908,30 5,31 4.779,32 0.977,33 3,34 5.862,35 5.063,36 8,37 7.668,38 4.818,39 317.975,40 55,41 1.86,42 5,43 6,44 0.208,45 0.8,46 1.331,47 0.676,48 18,49 1.144,50 13.916,51 5.113,52 3.726,53 20,54 4.392,55 3.81,56 4,57 3.737,58 1.226,60 71.111,61 2.693,62 5.122,63 71.111,64 0.636,65 6.561,66 24.922,67 1.494,68 1.28,69 2,70 2,71 8.222}
{0 CHEMBL1078276,1 1,2 8.91,3 -0.083,4 1,7 34.204,8 -0.198,9 0.014,10 4.534,11 1.238,12 0.645,13 0.909,14 262.969,15 1.794,16 203.096,17 1.9,18 24.587,19 1,20 289.008,21 1.864,22 4,23 1.743,24 1.716,25 0.127,26 2.509,27 1.128,28 39.7,29 1.971,30 6,31 4.796,32 0.995,33 3,34 7.308,35 4.983,36 8,37 7.674,38 4.826,39 339.763,40 58,41 1.985,42 5,43 7,44 0.206,45 0.8,46 1.499,47 0.672,48 18,49 1.14,50 14.386,51 5.052,52 3.726,53 20,54 4.392,55 3.81,56 4,57 3.705,58 1.222,60 71.111,61 2.66,62 5.232,63 71.111,64 0.63,65 6.57,66 26.589,67 1.511,68 1.376,69 2,70 2,71 7.959}
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{0 CHEMBL1079526,2 13.412,3 -0.119,4 1,7 35.968,8 -0.253,9 -0.021,10 4.861,11 1.036,12 0.733,13 0.816,14 218.727,15 1.719,16 197.615,17 1.708,18 25.482,19 1,20 238.379,21 1.703,22 6,23 1.673,24 1.516,25 0.11,26 1.49,27 1.129,28 46.7,29 1.873,30 2,31 5.568,32 0.832,33 1,34 0.832,35 5.297,36 9,37 8.466,38 5.199,39 247.133,40 45,41 1.783,42 6,43 3,44 0.056,45 0.4,46 1.135,47 0.704,48 10,49 0.921,50 8.505,51 5.403,52 3.722,53 23,54 4.585,55 3.693,56 3,57 3.933,58 1.071,59 202.466,60 88.351,61 2.836,62 4.976,63 73.391,64 0.702,65 7.222,66 12.434,67 1.741,68 1.178,69 3,70 3,71 7.013}
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{0 CHEMBL1079594,2 13.361,3 -0.116,4 1,5 2,7 38.765,8 -0.241,9 -0.023,10 5.099,11 1.015,12 0.727,13 0.839,14 234.574,15 1.722,16 238.986,17 1.706,18 28.915,19 1,20 250.084,21 1.704,22 6,23 1.676,24 1.514,25 0.11,26 1.515,27 1.128,28 47.8,29 1.875,30 2,31 5.631,32 0.809,33 1,34 0.765,35 5.437,36 10,37 8.648,38 5.271,39 254.084,40 46,41 1.781,42 7,43 3,44 0.046,45 0.4,46 1.188,47 0.716,48 9,49 0.919,50 8.104,51 5.437,52 3.727,53 24,54 4.644,55 3.697,56 3,57 3.939,58 1.091,59 222.52,60 119.41,61 2.837,62 5.003,63 104.45,64 0.719,65 7.387,66 11.108,67 2.213,68 1.326,69 3,70 3,71 8.301}
{0 CHEMBL1079689,1 1,2 8.901,3 -0.034,4 1,5 2,7 34.862,8 -0.148,9 0.021,10 4.232,11 1.047,12 0.673,13 0.73,14 198.927,15 1.666,16 211.445,17 1.78,18 23.104,19 1,20 223.456,21 1.783,22 4,23 1.613,24 1.605,25 0.108,26 2.324,27 1.128,28 42.6,29 1.872,30 4,31 4.585,32 0.917,33 4,34 3.422,35 4.754,36 6,37 7.453,38 4.769,39 261.066,40 47,41 1.854,42 5,43 4,44 0.054,45 0.8,46 1.205,47 0.672,48 17,49 1.021,50 10.568,51 4.916,52 3.575,53 18,54 4.248,55 3.555,56 4,57 3.516,58 1.181,60 87.603,61 2.413,62 4.934,63 87.603,64 0.639,65 6.427,66 17.925,67 1.427,68 1.258,69 2,70 2,71 6.492}
{0 CHEMBL1079690,1 1,2 8.978,3 -0.081,4 1,5 3,7 42.011,8 -0.2,9 -0.004,10 4.594,11 1.087,12 0.676,13 0.882,14 271.022,15 1.684,16 239.938,17 1.809,18 27.687,19 1,20 301.076,21 1.814,22 5,23 1.637,24 1.618,25 0.094,26 2.311,27 1.123,28 44.1,29 1.88,30 5,31 4.89,32 0.923,33 5,34 3.682,35 5.103,36 8,37 7.794,38 5.044,39 347.076,40 59,41 1.855,42 5,43 5,44 0.062,45 0.6,46 1.513,47 0.678,48 21,49 1.021,50 13.991,51 5.239,52 3.756,53 24,54 4.644,55 3.736,56 5,57 3.726,58 1.225,60 72.717,61 2.687,62 5.141,63 72.717,64 0.653,65 6.685,66 21.66,67 1.978,68 1.38,69 2,70 2,71 6.695}
{0 CHEMBL1080110,2 13.477,3 -0.119,4 1,7 38.24,8 -0.253,9 -0.021,10 4.922,11 1.036,12 0.733,13 0.816,14 221.482,15 1.719,16 197.615,17 1.702,18 26.833,19 1,20 241.133,21 1.705,22 6,23 1.673,24 1.511,25 0.11,26 1.596,27 1.129,28 46.7,29 1.873,30 2,31 5.576,32 0.832,33 1,34 0.948,35 5.359,36 9,37 8.46,38 5.191,39 247.133,40 45,41 1.78,42 6,43 3,44 0.056,45 0.4,46 1.149,47 0.704,48 10,49 0.915,50 8.364,51 5.403,52 3.723,53 23,54 4.585,55 3.693,56 3,57 3.885,58 1.103,59 204.384,60 88.351,61 2.802,62 4.967,63 73.391,64 0.702,65 7.222,66 12.434,67 1.925,68 1.178,69 3,70 3,71 7.022}
{0 CHEMBL1080111,2 13.45,3 -0.119,4 1,7 36.421,8 -0.253,9 -0.021,10 4.861,11 1.036,12 0.733,13 0.816,14 218.727,15 1.719,16 197.615,17 1.706,18 25.59,19 1,20 238.379,21 1.704,22 6,23 1.673,24 1.514,25 0.11,26 1.556,27 1.129,28 46.7,29 1.873,30 2,31 5.568,32 0.832,33 1,34 0.832,35 5.297,36 9,37 8.46,38 5.199,39 247.133,40 45,41 1.782,42 6,43 3,44 0.056,45 0.4,46 1.136,47 0.704,48 10,49 0.919,50 8.439,51 5.403,52 3.723,53 23,54 4.585,55 3.693,56 3,57 3.933,58 1.074,59 203.012,60 88.351,61 2.831,62 4.969,63 73.391,64 0.702,65 7.229,66 12.434,67 1.947,68 1.179,69 3,70 3,71 6.545}
{0 CHEMBL1080159,1 1,2 4.49,3 -0.092,7 39.433,8 -0.166,9 -0.015,10 4.849,11 1.141,12 0.669,13 1.079,14 315.189,15 1.802,16 211.178,17 1.83,18 28.443,19 1,20 337.189,21 1.835,22 5,23 1.772,24 1.66,25 0.09,26 3.503,27 1.134,28 43.1,29 1.968,30 5,31 5.347,32 0.975,33 5,34 2.594,35 5.188,36 9,37 8.598,38 5.242,39 391.454,40 65,41 1.949,42 4,43 8,44 0.056,45 0.7,46 1.513,47 0.664,48 24,49 1.168,50 16.041,51 5.218,52 3.793,53 23,54 4.585,55 3.777,56 4,57 3.949,58 1.417,59 165.482,60 70.965,61 2.862,62 5.413,63 41.045,64 0.644,65 7.263,66 25.64,67 2.307,68 1.392,69 1,70 1,71 8.301}
{0 CHEMBL1080322,2 13.408,3 -0.153,4 1,7 36.717,8 -0.407,9 -0.04,10 4.754,11 1.059,12 0.75,13 0.688,14 194.905,15 1.692,16 152.788,17 1.557,18 25.703,19 1,20 199.66,21 1.603,22 5,23 1.644,24 1.336,25 0.127,26 1.717,27 1.132,28 41.5,29 1.859,30 4,31 5.283,32 0.87,33 2,34 2.865,35 4.87,36 9,37 8.275,38 4.969,39 219.66,40 41,41 1.766,42 6,43 5,44 0.035,45 0.6,46 1.105,47 0.698,48 8,49 0.825,50 6.601,51 4.87,52 3.573,53 17,54 4.17,55 3.564,56 3,57 3.509,58 1.054,59 182.735,60 73.391,61 2.419,62 4.891,63 73.391,64 0.683,65 7.075,66 13.524,67 1.597,68 1.155,69 3,70 3,71 6.406}
{0 CHEMBL1080323,2 13.363,3 -0.165,4 1,5 2,7 38.42,8 -0.379,9 -0.041,10 4.803,11 1.137,12 0.741,13 0.725,14 201.722,15 1.695,16 200.134,17 1.557,18 27.426,19 1,20 206.477,21 1.603,22 5,23 1.646,24 1.336,25 0.131,26 1.697,27 1.133,28 42.9,29 1.865,30 4,31 5.318,32 0.889,33 2,34 2.799,35 4.916,36 9,37 8.434,38 5.03,39 226.477,40 42,41 1.769,42 7,43 5,44 0.065,45 0.6,46 1.188,47 0.69,48 8,49 0.825,50 6.61,51 4.916,52 3.576,53 18,54 4.248,55 3.566,56 3,57 3.532,58 1.088,59 192.872,60 104.45,61 2.452,62 4.929,63 104.45,64 0.683,65 7.207,66 13.918,67 2.176,68 1.326,69 3,70 3,71 6.328}
{0 CHEMBL1080332,2 12.969,3 -0.109,4 1,5 2,7 30.961,8 -0.217,9 -0.028,10 4.882,11 0.977,12 0.717,13 0.847,14 200.15,15 1.722,16 237.842,17 1.602,18 24.513,19 1,20 217.66,21 1.653,22 5,23 1.676,24 1.356,25 0.119,26 1.207,27 1.137,28 48.8,29 1.875,30 1,31 5.361,32 0.79,33 1,34 -0.206,35 5.309,36 10,37 8.55,38 5.207,39 219.66,40 41,41 1.778,42 7,43 1,44 0.026,45 0.4,46 1.117,47 0.723,48 8,49 0.825,50 4.526,51 5.309,52 3.728,53 24,54 4.644,55 3.697,56 3,57 3.869,58 1.052,59 223.516,60 134.37,61 2.761,62 4.855,63 104.45,64 0.737,65 7.286,66 7.282,67 2.189,68 1.218,69 3,70 3,71 6.569}
{0 CHEMBL1080333,2 12.709,3 -0.111,4 1,7 28.311,8 -0.204,9 -0.028,10 4.596,11 0.997,12 0.724,13 0.903,14 183.858,15 1.718,16 196.116,17 1.605,18 22.518,19 1,20 200.122,21 1.653,22 5,23 1.672,24 1.36,25 0.115,26 1.113,27 1.147,28 47.5,29 1.871,30 1,31 5.333,32 0.809,33 1,34 -0.354,35 5.003,36 10,37 8.413,38 5.157,39 212.877,40 40,41 1.776,42 6,43 1,44 0.023,45 0.4,46 1.054,47 0.709,48 8,49 0.825,50 4.629,51 5.072,52 3.723,53 23,54 4.585,55 3.693,56 3,57 3.878,58 1.035,59 211.693,60 118.271,61 2.782,62 4.836,63 73.391,64 0.728,65 7.158,66 7.22,67 2.194,68 1.117,69 3,70 3,71 6.495}
{0 CHEMBL1080394,1 1,2 8.925,3 -0.085,4 1,5 2,7 32.362,8 -0.223,9 -0.01,10 3.981,11 1.081,12 0.67,13 0.675,14 179.159,15 1.664,16 185.267,17 1.775,18 19.942,19 1,20 204.379,21 1.775,22 4,23 1.611,24 1.603,25 0.112,26 2.333,27 1.123,28 44.4,29 1.869,30 4,31 4.533,32 0.939,33 4,34 3.463,35 4.542,36 5,37 7.395,38 4.73,39 247.133,40 45,41 1.855,42 4,43 4,44 0.073,45 0.8,46 1.181,47 0.679,48 18,49 1.021,50 10.189,51 4.692,52 3.569,53 18,54 4.248,55 3.551,56 4,57 3.488,58 1.181,60 54.706,61 2.39,62 4.852,63 54.706,64 0.645,65 6.368,66 17.232,67 1.28,68 1.062,69 2,70 2,71 6.331}
{0 CHEMBL1080395,1 1,2 8.855,3 -0.032,4 1,5 3,7 34.713,8 -0.14,9 0.02,10 4.257,11 1.044,12 0.67,13 0.754,14 208.591,15 1.676,16 216.578,17 1.787,18 22.766,19 1,20 229.121,21 1.793,22 4,23 1.628,24 1.611,25 0.113,26 2.306,27 1.127,28 42.9,29 1.875,30 4,31 4.673,32 0.905,33 4,34 3.348,35 4.676,36 7,37 7.631,38 4.842,39 275.121,40 49,41 1.855,42 5,43 4,44 0.044,45 0.6,46 1.201,47 0.674,48 17,49 1.021,50 11.088,51 4.839,52 3.598,53 19,54 4.322,55 3.576,56 4,57 3.679,58 1.181,60 87.603,61 2.651,62 4.964,63 87.603,64 0.648,65 6.579,66 17.899,67 1.553,68 1.261,69 2,70 2,71 6.487}
{0 CHEMBL1080411,1 1,2 8.938,3 -0.075,4 1,5 3,7 38.017,8 -0.187,9 0.003,10 4.45,11 1.122,12 0.679,13 0.778,14 226.929,15 1.667,16 218.095,17 1.783,18 25.649,19 1,20 246.929,21 1.789,22 4,23 1.616,24 1.606,25 0.101,26 2.318,27 1.13,28 41.2,29 1.872,30 4,31 4.7,32 0.954,33 4,34 3.388,35 4.842,36 7,37 7.608,38 4.842,39 289.294,40 51,41 1.854,42 5,43 5,44 0.058,45 0.8,46 1.242,47 0.663,48 19,49 1.021,50 12.419,51 4.991,52 3.582,53 18,54 4.248,55 3.558,56 4,57 3.631,58 1.193,60 87.603,61 2.525,62 5.015,63 87.603,64 0.633,65 6.532,66 20.182,67 1.571,68 1.311,69 2,70 2,71 7.796}
{0 CHEMBL1080902,2 4.093,3 -0.023,5 1,7 15.877,8 0.074,9 0.007,10 3.965,11 1.041,12 0.635,13 0.596,14 158.612,15 1.44,16 186.171,17 1.566,18 16.457,19 1,20 182.612,21 1.588,22 3,23 1.413,24 1.259,25 0.124,27 1.128,28 42.5,29 1.65,31 4.394,32 0.89,35 4.565,36 7,37 7.552,38 4.803,39 212.877,40 40,41 1.581,42 4,43 2,44 0.04,45 0.6,46 1.181,47 0.674,48 14,49 0.605,50 6.55,51 4.734,52 3.594,53 18,54 4.248,55 3.561,56 3,57 3.522,58 1.131,60 66.652,61 2.45,62 4.593,63 66.652,64 0.66,65 6.505,66 13.217,67 1.285,68 1.121,69 1,70 1,71 5.796}
{0 CHEMBL1080954,1 1,2 8.777,3 -0.086,4 1,5 4,7 33.718,8 -0.171,9 0.027,10 4.353,11 1.218,12 0.664,13 0.801,14 217.663,15 1.71,16 208.633,17 1.816,18 22.853,19 1,20 238.193,21 1.806,22 4,23 1.691,24 1.621,25 0.146,26 2.287,27 1.127,28 40,29 1.898,30 4,31 4.71,32 0.921,33 4,34 3.28,35 4.764,36 9,37 7.709,38 4.888,39 282.193,40 50,41 1.854,42 5,43 4,44 0.197,45 0.6,46 1.2,47 0.683,48 17,49 1.022,50 11.185,51 4.844,52 3.681,53 20,54 4.392,55 3.711,56 4,57 3.808,58 1.181,60 85.998,61 2.722,62 4.999,63 85.998,64 0.653,65 6.673,66 20.274,67 1.54,68 1.262,69 2,70 2,71 7.081}
{0 CHEMBL1080955,1 1,2 13.378,3 -0.117,4 1,5 3,7 45.357,8 -0.295,9 -0.025,10 4.663,11 1.133,12 0.688,13 0.903,14 270.479,15 1.702,16 229.015,17 1.823,18 28.917,19 2,20 293.008,21 1.822,22 5,23 1.649,24 1.622,25 0.087,26 2.336,27 1.127,28 43.1,29 1.894,30 5,31 4.92,32 0.969,33 5,34 4.232,35 5.052,36 7,37 7.902,38 5.018,39 339.763,40 58,41 1.859,42 6,43 6,44 0.081,45 0.8,46 1.513,47 0.674,48 19,49 1.023,50 14.186,51 5.121,52 3.738,53 23,54 4.585,55 3.712,56 5,57 3.767,58 1.33,60 73.391,61 2.64,62 5.179,63 73.391,64 0.64,65 6.692,66 22.911,67 1.618,68 1.376,69 3,70 3,71 7.092}
{0 CHEMBL1081138,1 1,2 9.052,3 -0.056,4 1,5 2,7 32.362,8 -0.191,9 0.01,10 4.42,11 1.03,12 0.688,13 0.761,14 216.591,15 1.68,16 206.341,17 1.79,18 19.942,19 2,20 241.121,21 1.795,22 5,23 1.63,24 1.611,25 0.098,26 2.335,27 1.123,28 44.9,29 1.877,30 4,31 4.905,32 0.891,33 4,34 3.442,35 4.921,36 6,37 8.09,38 5.013,39 275.121,40 49,41 1.855,42 5,43 4,44 0.07,45 0.6,46 1.21,47 0.685,48 17,49 1.022,50 10.89,51 5.043,52 3.662,53 22,54 4.524,55 3.641,56 4,57 3.698,58 1.181,59 117.025,60 71.492,61 2.623,62 4.967,63 71.492,64 0.654,65 6.947,66 18.362,67 1.534,68 1.274,69 2,70 2,71 7.481}
{0 CHEMBL1081190,2 13.45,3 -0.119,4 1,7 38.349,8 -0.253,9 -0.021,10 4.922,11 1.036,12 0.733,13 0.816,14 221.482,15 1.719,16 197.615,17 1.703,18 26.833,19 1,20 241.133,21 1.704,22 6,23 1.673,24 1.512,25 0.11,26 1.556,27 1.129,28 46.7,29 1.873,30 2,31 5.565,32 0.832,33 1,34 0.948,35 5.359,36 9,37 8.459,38 5.191,39 247.133,40 45,41 1.78,42 6,43 3,44 0.056,45 0.4,46 1.156,47 0.704,48 10,49 0.916,50 8.325,51 5.403,52 3.723,53 23,54 4.585,55 3.693,56 3,57 3.887,58 1.096,59 203.888,60 88.351,61 2.803,62 4.967,63 73.391,64 0.702,65 7.226,66 12.434,67 1.873,68 1.177,69 3,70 3,71 7.081}
{0 CHEMBL1081290,1 1,2 4.557,3 -0.115,5 2,7 32.239,8 -0.164,9 -0.018,10 3.751,11 1.115,12 0.661,13 0.642,14 180.065,15 1.759,16 198.638,17 1.588,18 19.638,19 1,20 210.039,21 1.636,22 4,23 1.731,24 1.309,25 0.109,27 1.116,28 45.8,29 1.864,31 4.977,32 0.921,35 4.376,36 6,37 8.341,38 5.073,39 268.078,40 48,41 1.883,42 2,43 3,44 0.069,45 0.6,46 1.314,47 0.681,48 19,49 0.946,50 11.385,51 4.788,52 3.732,53 22,54 4.524,55 3.73,56 3,57 3.6,58 1.181,59 113.435,60 34.796,61 2.552,62 4.842,63 34.796,64 0.659,65 7.072,66 17.664,67 1.732,68 1.399,69 1,70 1,71 7.824}
{0 CHEMBL1081291,1 1,2 4.547,3 -0.104,5 2,7 32.88,8 -0.164,9 -0.018,10 4.031,11 1.029,12 0.664,13 0.631,14 193.51,15 1.755,16 192.662,17 1.588,18 21.24,19 1,20 222.794,21 1.635,22 4,23 1.732,24 1.308,25 0.105,27 1.115,28 45.8,29 1.851,31 5.03,32 0.876,35 4.642,36 7,37 8.394,38 5.101,39 268.078,40 48,41 1.858,42 2,43 3,44 0.036,45 0.6,46 1.311,47 0.699,48 18,49 0.942,50 11.07,51 4.954,52 3.745,53 22,54 4.524,55 3.744,56 3,57 3.644,58 1.137,59 117.906,60 34.796,61 2.57,62 4.841,63 34.796,64 0.676,65 7.11,66 16.983,67 1.845,68 1.399,69 1,70 1,71 6.357}
{0 CHEMBL1081292,1 1,2 4.566,3 -0.147,5 3,7 36.89,8 -0.199,9 -0.032,10 3.81,11 1.179,12 0.667,13 0.696,14 198.119,15 1.756,16 205.288,17 1.59,18 23.952,19 1,20 226.648,21 1.637,22 4,23 1.734,24 1.311,25 0.102,27 1.119,28 44.2,29 1.865,31 5.069,32 0.956,35 4.359,36 7,37 8.448,38 5.119,39 296.423,40 52,41 1.869,42 2,43 4,44 0.072,45 0.6,46 1.552,47 0.671,48 21,49 0.946,50 12.725,51 4.873,52 3.74,53 22,54 4.524,55 3.732,56 3,57 3.648,58 1.302,59 125.277,60 34.796,61 2.593,62 4.93,63 34.796,64 0.652,65 7.139,66 20.049,67 1.85,68 1.496,69 1,70 1,71 6.076}
{0 CHEMBL1081312,2 17.992,3 0.013,7 7.5,8 -0.089,9 0.046,10 4.577,11 0.979,12 0.708,13 0.723,14 187.66,15 1.59,16 191.13,17 1.78,18 9.487,19 2,20 197.66,21 1.751,22 5,23 1.532,24 1.577,25 0.121,27 1.136,28 41.5,29 1.793,30 4,31 5.268,32 0.853,34 4.738,35 4.821,36 7,37 8.651,38 5.091,39 219.66,40 41,41 1.86,42 7,43 5,44 0.063,45 0.8,46 1.179,47 0.679,48 3,49 1.107,50 8.497,51 4.821,52 3.669,53 20,54 4.392,55 3.677,56 3,57 3.644,58 0.998,59 160.199,60 118.479,61 2.587,62 4.859,63 118.479,64 0.653,65 7.362,66 15.127,67 1.41,68 1.245,69 4,70 4,71 6}
{0 CHEMBL1081376,2 13.576,3 -0.11,4 1,7 36.394,8 -0.307,9 -0.021,10 4.861,11 0.957,12 0.733,13 0.732,14 218.727,15 1.719,16 191.995,17 1.702,18 25.57,19 1,20 238.379,21 1.693,22 6,23 1.673,24 1.516,25 0.11,26 1.664,27 1.121,28 46.7,29 1.873,30 2,31 5.568,32 0.798,33 1,34 1.095,35 5.297,36 9,37 8.46,38 5.199,39 247.133,40 45,41 1.78,42 6,43 3,44 0.032,45 0.4,46 1.134,47 0.725,48 10,49 0.929,50 8.739,51 5.403,52 3.725,53 23,54 4.585,55 3.697,56 3,57 3.926,58 1.068,59 203.012,60 73.391,61 2.808,62 4.958,63 73.391,64 0.712,65 7.229,66 11.789,67 1.948,68 1.167,69 3,70 3,71 6.076}
{0 CHEMBL1081377,2 13.45,3 -0.119,4 1,7 36.421,8 -0.253,9 -0.021,10 4.861,11 1.036,12 0.733,13 0.816,14 218.727,15 1.719,16 197.615,17 1.706,18 25.59,19 1,20 238.379,21 1.704,22 6,23 1.673,24 1.514,25 0.11,26 1.556,27 1.129,28 46.7,29 1.873,30 2,31 5.568,32 0.832,33 1,34 0.832,35 5.297,36 9,37 8.46,38 5.199,39 247.133,40 45,41 1.782,42 6,43 3,44 0.056,45 0.4,46 1.136,47 0.704,48 10,49 0.919,50 8.439,51 5.403,52 3.723,53 23,54 4.585,55 3.693,56 3,57 3.933,58 1.074,59 203.012,60 88.351,61 2.831,62 4.969,63 73.391,64 0.702,65 7.229,66 12.434,67 1.947,68 1.179,69 3,70 3,71 6.478}
{0 CHEMBL1081378,2 13.45,3 -0.119,4 1,7 36.421,8 -0.253,9 -0.021,10 4.861,11 1.036,12 0.733,13 0.816,14 218.727,15 1.719,16 197.615,17 1.706,18 25.59,19 1,20 238.379,21 1.704,22 6,23 1.673,24 1.514,25 0.11,26 1.556,27 1.129,28 46.7,29 1.873,30 2,31 5.568,32 0.832,33 1,34 0.832,35 5.297,36 9,37 8.46,38 5.199,39 247.133,40 45,41 1.782,42 6,43 3,44 0.056,45 0.4,46 1.136,47 0.704,48 10,49 0.919,50 8.439,51 5.403,52 3.723,53 23,54 4.585,55 3.693,56 3,57 3.933,58 1.074,59 203.012,60 88.351,61 2.831,62 4.969,63 73.391,64 0.702,65 7.229,66 12.434,67 1.947,68 1.179,69 3,70 3,71 5.155}
{0 CHEMBL1081379,2 13.405,3 -0.109,4 1,7 37.062,8 -0.253,9 -0.023,10 5.058,11 0.955,12 0.734,13 0.804,14 227.624,15 1.718,16 191.64,17 1.706,18 27.192,19 1,20 243.133,21 1.704,22 6,23 1.673,24 1.514,25 0.107,26 1.535,27 1.128,28 46.7,29 1.868,30 2,31 5.606,32 0.792,33 1,34 0.798,35 5.403,36 10,37 8.522,38 5.224,39 247.133,40 45,41 1.778,42 6,43 3,44 0.024,45 0.4,46 1.106,47 0.723,48 9,49 0.919,50 8.115,51 5.403,52 3.724,53 23,54 4.585,55 3.695,56 3,57 3.937,58 1.054,59 212.383,60 88.351,61 2.833,62 4.968,63 73.391,64 0.72,65 7.277,66 10.387,67 2.202,68 1.167,69 3,70 3,71 7.252}
{0 CHEMBL1081443,1 1,2 8.931,3 -0.148,5 2,7 32.239,8 -0.227,9 -0.033,10 4.107,11 1.153,12 0.679,13 0.659,14 193.027,15 1.724,16 205.089,17 1.588,18 19.638,19 1,20 217.781,21 1.636,22 4,23 1.688,24 1.309,25 0.109,27 1.12,28 44.7,29 1.847,31 4.977,32 0.928,35 4.634,36 7,37 8.341,38 5.073,39 261.066,40 47,41 1.852,42 3,43 3,44 0.07,45 0.6,46 1.313,47 0.679,48 17,49 0.876,50 10.74,51 4.911,52 3.682,53 22,54 4.524,55 3.673,56 3,57 3.586,58 1.139,59 113.435,60 51.582,61 2.512,62 4.803,63 51.582,64 0.663,65 7.072,66 17.105,67 1.732,68 1.399,69 2,70 2,71 6.959}
{0 CHEMBL1081484,1 1,2 4.52,3 -0.147,5 2,7 43.126,8 -0.203,9 -0.033,10 4.536,11 1.204,12 0.682,13 0.943,14 285.775,15 1.796,16 213.217,17 1.834,18 30.178,19 1,20 310.53,21 1.833,22 5,23 1.772,24 1.661,25 0.091,26 1.597,27 1.128,28 42.9,29 1.957,30 4,31 5.342,32 0.972,33 4,34 1.787,35 4.929,36 10,37 8.634,38 5.263,39 376.569,40 63,41 1.929,42 3,43 7,44 0.064,45 0.7,46 1.553,47 0.664,48 25,49 1.066,50 15.472,51 5.179,52 3.788,53 23,54 4.585,55 3.772,56 4,57 3.998,58 1.513,59 162.984,60 52.881,61 2.883,62 5.223,63 37.921,64 0.652,65 7.283,66 24.755,67 2.365,68 1.507,69 1,70 1,71 8.523}
{0 CHEMBL1081485,1 1,2 4.633,3 -0.147,5 2,7 47.008,8 -0.24,9 -0.031,10 4.448,11 1.221,12 0.679,13 0.893,14 284.677,15 1.809,16 210.973,17 1.842,18 30.641,19 1,20 309.961,21 1.833,22 5,23 1.777,24 1.664,25 0.087,26 2.413,27 1.124,28 42.2,29 1.968,30 5,31 5.252,32 1.005,33 5,34 4.483,35 4.843,36 8,37 8.528,38 5.177,39 384,40 64,41 1.943,42 3,43 8,44 0.083,45 0.8,46 1.553,47 0.659,48 28,49 1.066,50 17.379,51 5.058,52 3.781,53 22,54 4.524,55 3.774,56 4,57 3.698,58 1.513,59 152.47,60 37.921,61 2.654,62 5.284,63 37.921,64 0.633,65 7.188,66 27.039,67 2.072,68 1.507,69 1,70 1,71 7.854}
{0 CHEMBL1081663,1 1,2 4.561,3 -0.098,7 31.902,8 -0.227,9 -0.016,10 4.239,11 1.116,12 0.671,13 0.884,14 258.56,15 1.8,16 211.952,17 1.84,18 23.373,19 1,20 290.614,21 1.832,22 5,23 1.775,24 1.663,25 0.095,26 3.354,27 1.121,28 44.3,29 1.958,30 4,31 5.226,32 0.947,33 4,34 2.378,35 4.764,36 8,37 8.533,38 5.199,39 361.775,40 61,41 1.931,42 4,43 6,44 0.065,45 0.8,46 1.417,47 0.676,48 25,49 1.101,50 16.25,51 5.054,52 3.787,53 24,54 4.644,55 3.776,56 4,57 3.912,58 1.369,59 157.541,60 41.045,61 2.892,62 5.257,63 41.045,64 0.651,65 7.22,66 23.279,67 2.037,68 1.376,69 1,70 1,71 7.409}
{0 CHEMBL1081664,1 1,2 4.591,3 -0.094,7 36.015,8 -0.221,9 -0.015,10 4.516,11 1.128,12 0.667,13 0.924,14 289.006,15 1.8,16 214.487,17 1.84,18 25.798,19 1,20 320.226,21 1.832,22 5,23 1.775,24 1.663,25 0.092,26 3.376,27 1.122,28 43.8,29 1.958,30 4,31 5.268,32 0.964,33 4,34 2.376,35 5.004,36 8,37 8.566,38 5.232,39 384,40 64,41 1.931,42 4,43 7,44 0.066,45 0.8,46 1.513,47 0.672,48 24,49 1.168,50 18.348,51 5.215,52 3.788,53 24,54 4.644,55 3.777,56 4,57 3.945,58 1.417,59 162.583,60 41.045,61 2.908,62 5.328,63 41.045,64 0.645,65 7.237,66 25.127,67 2.061,68 1.391,69 1,70 1,71 8.097}
{0 CHEMBL1081846,2 12.747,3 -0.111,4 1,7 29.28,8 -0.204,9 -0.028,10 4.715,11 0.997,12 0.724,13 0.903,14 188.612,15 1.718,16 196.116,17 1.602,18 22.816,19 1,20 208.877,21 1.653,22 5,23 1.672,24 1.356,25 0.115,26 1.179,27 1.147,28 47.5,29 1.871,30 1,31 5.328,32 0.809,33 1,34 -0.224,35 5.222,36 10,37 8.409,38 5.157,39 212.877,40 40,41 1.776,42 6,43 1,44 0.023,45 0.4,46 1.054,47 0.709,48 8,49 0.823,50 4.553,51 5.272,52 3.724,53 23,54 4.585,55 3.693,56 3,57 3.868,58 1.003,59 213.378,60 118.271,61 2.76,62 4.825,63 73.391,64 0.728,65 7.164,66 7.22,67 2.083,68 1.117,69 3,70 3,71 6}
{0 CHEMBL1081975,1 1,2 9.002,3 -0.104,5 3,7 32.239,8 -0.169,9 -0.012,10 4.232,11 1.076,12 0.672,13 0.726,14 224.321,15 1.859,16 229.188,17 1.601,18 19.638,19 1,20 258.296,21 1.643,22 5,23 1.839,24 1.435,25 0.094,27 1.115,28 47.2,29 1.95,31 5.298,32 0.886,35 4.874,36 7,37 8.877,38 5.299,39 303.58,40 53,41 1.942,42 3,43 3,44 0.07,45 0.6,46 1.552,47 0.692,48 19,49 1.046,50 12.627,51 5.157,52 3.824,53 27,54 4.807,55 3.811,56 3,57 3.87,58 1.301,59 125.804,60 51.582,61 2.83,62 4.973,63 51.582,64 0.673,65 7.46,66 18.659,67 1.845,68 1.506,69 2,70 2,71 8.097}
{0 CHEMBL1081976,1 1,2 4.527,3 -0.143,5 2,7 35.714,8 -0.197,9 -0.008,10 4.355,11 1.281,12 0.659,13 0.813,14 243.889,15 1.801,16 215.513,17 1.8,18 24.512,19 1,20 273.173,21 1.751,22 4,23 1.801,24 1.635,25 0.12,27 1.122,28 41.1,29 1.948,31 5.176,32 0.953,35 4.878,36 10,37 8.523,38 5.148,39 325.212,40 56,41 1.875,42 3,43 4,44 0.189,45 0.6,46 1.553,47 0.679,48 21,49 1.013,50 14.319,51 5.146,52 3.814,53 24,54 4.644,55 3.821,56 3,57 4.005,58 1.312,59 138.061,60 51.201,61 2.883,62 5.019,63 51.201,64 0.657,65 7.203,66 24.624,67 2.015,68 1.507,69 1,70 1,71 6.824}
{0 CHEMBL1081977,1 1,2 4.531,3 -0.143,5 2,7 35.714,8 -0.197,9 -0.008,10 4.306,11 1.281,12 0.659,13 0.813,14 241.134,15 1.805,16 215.513,17 1.795,18 24.512,19 1,20 266.418,21 1.746,22 4,23 1.805,24 1.631,25 0.12,27 1.122,28 41.1,29 1.952,31 5.176,32 0.953,35 4.757,36 10,37 8.541,38 5.148,39 325.212,40 56,41 1.874,42 3,43 4,44 0.189,45 0.6,46 1.553,47 0.679,48 21,49 1.018,50 13.794,51 5.003,52 3.817,53 24,54 4.644,55 3.821,56 3,57 4.005,58 1.31,59 144.035,60 51.201,61 2.883,62 5.019,63 51.201,64 0.657,65 7.203,66 24.624,67 2.024,68 1.507,69 1,70 1,71 8.301}
{0 CHEMBL1081978,1 1,2 4.591,3 -0.148,5 2,7 41.978,8 -0.24,9 -0.032,10 4.355,11 1.206,12 0.681,13 0.878,14 274.391,15 1.8,16 213.572,17 1.84,18 28.551,19 1,20 299.675,21 1.832,22 5,23 1.775,24 1.663,25 0.092,26 1.816,27 1.123,28 42.9,29 1.958,30 4,31 5.283,32 0.979,33 4,34 2.368,35 4.757,36 9,37 8.589,38 5.232,39 376.569,40 63,41 1.931,42 3,43 7,44 0.074,45 0.8,46 1.553,47 0.665,48 26,49 1.066,50 16.892,51 5.052,52 3.784,53 23,54 4.585,55 3.772,56 4,57 3.944,58 1.513,59 158.513,60 37.921,61 2.881,62 5.212,63 37.921,64 0.646,65 7.243,66 25.384,67 2.101,68 1.507,69 1,70 1,71 8.097}
{0 CHEMBL1082022,1 1,2 4.474,3 -0.056,7 37.962,8 -0.118,9 0.007,10 4.93,11 1.091,12 0.667,13 1.039,14 305.65,15 1.802,16 217.668,17 1.829,18 27.826,19 1,20 327.65,21 1.835,22 5,23 1.772,24 1.66,25 0.09,26 1.975,27 1.134,28 43.5,29 1.968,30 5,31 5.328,32 0.936,33 5,34 2.593,35 5.285,36 9,37 8.593,38 5.226,39 369.16,40 62,41 1.949,42 4,43 7,44 0.046,45 0.8,46 1.513,47 0.668,48 21,49 1.163,50 14.347,51 5.317,52 3.792,53 23,54 4.585,55 3.777,56 4,57 3.945,58 1.414,59 158.843,60 85.852,61 2.861,62 5.316,63 55.931,64 0.65,65 7.251,66 23.435,67 2.297,68 1.392,69 1,70 1,71 8.301}
{0 CHEMBL1082023,1 1,2 4.678,3 -0.107,5 2,7 47.97,8 -0.266,9 -0.017,10 4.537,11 1.167,12 0.684,13 1.061,14 322.129,15 1.815,16 212.504,17 1.911,18 32.931,19 1,20 370.367,21 1.908,22 6,23 1.791,24 1.709,25 0.086,26 6.629,27 1.126,28 42.3,29 1.959,30 8,31 5.384,32 1,33 8,34 6.686,35 5.216,36 8,37 8.593,38 5.237,39 436.632,40 71,41 1.936,42 5,43 10,44 0.084,45 0.7,46 1.535,47 0.663,48 29,49 1.18,50 19.838,51 5.34,52 3.809,53 23,54 4.585,55 3.798,56 5,57 3.834,58 1.513,59 170.794,60 44.169,61 2.739,62 5.496,63 44.169,64 0.629,65 7.271,66 30.295,67 2.326,68 1.438,69 1,70 1,71 8.097}
{0 CHEMBL1082440,2 4.16,3 -0.098,7 25.392,8 -0.216,9 0.013,10 4.594,11 1.321,12 0.636,13 0.669,14 197.555,15 1.631,16 119.223,17 1.665,18 17.457,20 213.82,21 1.633,22 3,23 1.554,24 1.483,25 0.198,26 1.627,27 1.13,28 37.2,29 1.872,30 4,31 4.431,32 1.051,33 3,34 2.922,35 4.973,36 6,37 6.995,38 4.721,39 233.329,40 43,41 1.888,42 3,43 7,44 0.248,45 0.8,46 1.172,47 0.661,48 10,49 1.174,50 12.306,51 4.973,52 3.46,53 13,54 3.807,55 3.504,56 2,57 3.343,58 1.105,60 36.315,61 2.251,62 5.139,63 36.315,64 0.614,65 6.517,66 20.456,67 1.275,68 1.29,69 1,70 1,71 6}
{0 CHEMBL1084546,1 2,2 11.817,3 -0.113,4 1,7 61.621,8 -0.2,9 0.003,10 5.093,11 1.255,12 0.686,13 1.116,14 280.1,15 1.756,16 225.7,17 1.84,18 36.58,19 1,20 295.71,21 1.797,22 4,23 1.731,24 1.663,25 0.118,26 0.94,27 1.152,28 38.2,29 1.911,30 2,31 5.037,32 0.935,33 1,34 0.01,35 5.377,36 14,37 7.636,38 5.026,39 317.975,40 55,41 1.802,42 7,43 5,44 0.14,45 0.7,46 1.467,47 0.672,48 13,49 0.979,50 12.01,51 5.413,52 3.736,53 21,54 4.459,55 3.749,56 3,57 3.993,58 1.236,59 159.647,60 150.788,61 2.955,62 5.202,63 105.907,64 0.67,65 6.584,66 21.456,67 2.162,68 1.452,69 3,70 3,71 7.1}
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{0 CHEMBL1650698,1 2,2 19.96,3 -0.061,4 1,7 41.694,8 -0.18,9 0.007,10 4.719,11 1.099,12 0.712,13 0.859,14 198.213,15 1.547,16 216.884,17 1.651,18 26.596,19 2,20 202.968,21 1.654,22 4,23 1.505,24 1.418,25 0.112,27 1.161,28 38.1,29 1.711,30 2,31 4.489,32 0.908,34 2.28,35 4.833,36 10,37 7.083,38 4.757,39 226.477,40 42,41 1.682,42 8,43 5,44 0.03,45 0.8,46 1.126,47 0.66,48 2,49 0.825,50 6.849,51 4.898,52 3.658,53 17,54 4.17,55 3.626,56 4,57 3.723,58 1.12,60 166.41,61 2.602,62 4.748,63 136.49,64 0.656,65 6.054,66 13.431,67 1.487,68 1.148,69 5,70 5,71 8.523}
{0 CHEMBL1650723,1 2,2 20.174,3 -0.139,4 1,5 1,7 43.145,8 -0.31,9 -0.037,10 4.817,11 1.082,12 0.72,13 0.695,14 187.866,15 1.474,16 219.135,17 1.649,18 26.036,19 2,20 190.621,21 1.685,22 3,23 1.434,24 1.403,25 0.12,27 1.157,28 35.9,29 1.68,31 4.357,32 0.888,35 4.888,36 11,37 6.959,38 4.713,39 206.131,40 39,41 1.659,42 8,43 3,44 0.01,45 0.6,46 1.115,47 0.675,48 5,49 0.661,50 7.455,51 4.888,52 3.608,53 17,54 4.17,55 3.578,56 3,57 3.579,58 0.921,60 151.45,61 2.425,62 4.631,63 136.49,64 0.672,65 5.952,66 11.994,67 1.454,68 1.12,69 5,70 5,71 6.967}
{0 CHEMBL1650724,1 2,2 20.65,3 -0.045,4 1,7 41.647,8 -0.191,9 0.008,10 4.833,11 0.986,12 0.712,13 0.783,14 202.968,15 1.547,16 211.264,17 1.65,18 26.573,19 2,20 205.722,21 1.653,22 4,23 1.505,24 1.418,25 0.112,27 1.151,28 38.1,29 1.711,30 2,31 4.489,32 0.861,34 2.376,35 4.898,36 10,37 7.083,38 4.757,39 226.477,40 42,41 1.681,42 8,43 5,44 0.015,45 0.8,46 1.125,47 0.682,48 2,49 0.825,50 7.423,51 4.898,52 3.666,53 17,54 4.17,55 3.643,56 4,57 3.714,58 1.113,60 151.45,61 2.553,62 4.737,63 136.49,64 0.667,65 6.054,66 13.098,67 1.489,68 1.126,69 5,70 5,71 8.523}
{0 CHEMBL1650725,1 2,2 20.72,3 -0.105,4 1,7 41.556,8 -0.249,9 -0.023,10 4.65,11 1.166,12 0.698,13 0.75,14 190.64,15 1.585,16 223.53,17 1.661,18 24.808,19 2,20 199.395,21 1.658,22 3,23 1.531,24 1.431,25 0.122,27 1.156,28 36.6,29 1.787,31 4.29,32 0.966,35 4.863,36 9,37 6.902,38 4.686,39 219.66,40 41,41 1.793,42 8,43 4,44 0.037,45 0.8,46 1.152,47 0.653,48 2,49 0.877,50 8.066,51 4.863,52 3.648,53 17,54 4.17,55 3.627,56 3,57 3.58,58 1.073,60 151.45,61 2.51,62 4.812,63 136.49,64 0.639,65 5.925,66 14.635,67 1.447,68 1.15,69 5,70 5,71 8.461}
{0 CHEMBL1650726,1 1,2 19.977,3 -0.132,4 1,7 31.916,8 -0.258,9 -0.041,10 4.716,11 1.059,12 0.708,13 0.667,14 174.485,15 1.58,16 199.496,17 1.629,18 21.824,19 2,20 177.24,21 1.63,22 3,23 1.526,24 1.391,25 0.128,27 1.152,28 37.8,29 1.785,31 4.29,32 0.882,35 4.79,36 10,37 6.902,38 4.686,39 192.75,40 37,41 1.736,42 7,43 3,44 0.014,45 0.4,46 0.983,47 0.685,48 2,49 0.758,50 6.34,51 4.79,52 3.625,53 17,54 4.17,55 3.603,56 3,57 3.564,58 0.921,60 133.439,61 2.433,62 4.55,63 118.479,64 0.681,65 5.925,66 10.839,67 1.521,68 1.011,69 5,70 5,71 7.678}
{0 CHEMBL1650727,1 1,2 19.977,3 -0.132,4 1,7 31.916,8 -0.258,9 -0.041,10 4.716,11 1.059,12 0.708,13 0.667,14 174.485,15 1.58,16 199.496,17 1.629,18 21.824,19 2,20 177.24,21 1.63,22 3,23 1.526,24 1.391,25 0.128,27 1.152,28 37.8,29 1.785,31 4.29,32 0.882,35 4.79,36 10,37 6.902,38 4.686,39 192.75,40 37,41 1.736,42 7,43 3,44 0.014,45 0.4,46 0.983,47 0.685,48 2,49 0.758,50 6.34,51 4.79,52 3.625,53 17,54 4.17,55 3.603,56 3,57 3.564,58 0.921,60 133.439,61 2.433,62 4.55,63 118.479,64 0.681,65 5.925,66 10.839,67 1.521,68 1.011,69 5,70 5,71 5.886}
{0 CHEMBL1650728,1 2,2 20.406,3 -0.101,4 1,5 1,7 43.22,8 -0.295,9 -0.033,10 4.817,11 0.923,12 0.71,13 0.71,14 187.866,15 1.474,16 218.69,17 1.649,18 26.072,19 2,20 190.621,21 1.685,22 3,23 1.434,24 1.403,25 0.119,27 1.155,28 35.9,29 1.68,31 4.357,32 0.854,35 4.888,36 11,37 6.959,38 4.713,39 206.131,40 39,41 1.659,42 8,43 3,44 -0.003,45 0.6,46 1.109,47 0.688,48 5,49 0.661,50 7.817,51 4.888,52 3.613,53 17,54 4.17,55 3.593,56 3,57 3.577,58 0.921,60 151.45,61 2.413,62 4.628,63 182.444,64 0.677,65 5.952,66 10.516,67 1.454,68 1.113,69 5,70 5,71 6.967}
{0 CHEMBL1650729,1 2,2 20.587,3 -0.057,4 1,7 40.252,8 -0.246,9 -0.013,10 4.767,11 0.864,12 0.698,13 0.716,14 181.157,15 1.582,16 214.574,17 1.651,18 24.184,19 2,20 183.911,21 1.653,22 3,23 1.527,24 1.42,25 0.124,27 1.153,28 36.8,29 1.785,31 4.29,32 0.835,35 4.84,36 10,37 6.902,38 4.686,39 199.421,40 38,41 1.734,42 8,43 3,44 -0.003,45 0.6,46 1.108,47 0.694,48 2,49 0.784,50 7.647,51 4.84,52 3.634,53 17,54 4.17,55 3.624,56 3,57 3.564,58 0.921,60 151.45,61 2.427,62 4.651,63 182.444,64 0.676,65 5.925,66 9.95,67 1.447,68 1.097,69 5,70 5,71 8.262}
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{0 CHEMBL1650731,1 2,2 19.81,3 -0.186,4 1,7 49.12,8 -0.344,9 -0.059,10 4.594,11 1.256,12 0.721,13 0.826,14 197.555,15 1.604,16 231.303,17 1.652,18 28.261,19 2,20 202.31,21 1.655,22 3,23 1.533,24 1.422,25 0.115,26 1.825,27 1.168,28 34.9,29 1.852,31 4.419,32 0.997,35 4.705,36 11,37 7.013,38 4.739,39 233.329,40 43,41 1.768,42 9,43 4,44 0.034,45 0.8,46 1.325,47 0.645,48 8,49 0.757,50 6.649,51 4.769,52 3.619,53 17,54 4.17,55 3.583,56 3,57 3.681,58 1.12,60 169.534,61 2.55,62 4.858,63 139.614,64 0.642,65 5.978,66 15.202,67 1.46,68 1.239,69 5,70 5,71 6.089}
{0 CHEMBL1650732,1 2,2 21.409,3 -0.171,4 1,5 3,7 62.208,8 -0.327,9 -0.046,10 4.898,11 1.279,12 0.724,13 0.894,14 249.784,15 1.62,16 230.796,17 1.782,18 34.669,19 2,20 253.784,21 1.787,22 4,23 1.566,24 1.563,25 0.1,26 2.135,27 1.156,28 35.3,29 1.825,30 4,31 4.804,32 1.024,33 4,34 2.782,35 4.976,36 11,37 7.283,38 4.795,39 289.294,40 51,41 1.805,42 9,43 7,44 0.058,45 0.8,46 1.4,47 0.643,48 11,49 0.894,50 10.757,51 4.976,52 3.667,53 17,54 4.17,55 3.64,56 4,57 3.658,58 1.152,60 154.574,61 2.563,62 5.043,63 139.614,64 0.627,65 6.228,66 20.45,67 1.845,68 1.376,69 5,70 5,71 8.523}
{0 CHEMBL1650733,1 2,2 20.62,3 -0.171,4 1,5 3,7 55.205,8 -0.297,9 -0.045,10 4.898,11 1.277,12 0.725,13 0.951,14 249.784,15 1.618,16 230.441,17 1.781,18 32.954,19 2,20 253.784,21 1.787,22 4,23 1.566,24 1.561,25 0.104,26 1.797,27 1.162,28 35.3,29 1.821,30 4,31 4.898,32 1.013,33 4,34 1.969,35 4.976,36 12,37 7.347,38 4.855,39 289.294,40 51,41 1.803,42 9,43 7,44 0.047,45 0.8,46 1.393,47 0.641,48 10,49 0.892,50 9.522,51 4.976,52 3.67,53 17,54 4.17,55 3.64,56 4,57 3.66,58 1.152,60 169.534,61 2.569,62 5.054,63 139.614,64 0.635,65 6.313,66 19.706,67 2.082,68 1.376,69 5,70 5,71 8.523}
{0 CHEMBL1650734,1 2,2 21.31,3 -0.148,4 1,5 3,7 55.137,8 -0.324,9 -0.042,10 4.937,11 1.161,12 0.725,13 0.886,14 251.784,15 1.619,16 224.821,17 1.78,18 32.935,19 2,20 253.784,21 1.786,22 4,23 1.567,24 1.562,25 0.104,26 2.04,27 1.155,28 35.3,29 1.818,30 4,31 4.898,32 0.967,33 4,34 2.496,35 4.976,36 12,37 7.347,38 4.855,39 289.294,40 51,41 1.802,42 9,43 7,44 0.029,45 0.8,46 1.39,47 0.659,48 10,49 0.893,50 10.756,51 4.976,52 3.674,53 17,54 4.17,55 3.649,56 4,57 3.659,58 1.152,60 154.574,61 2.567,62 5.041,63 139.614,64 0.643,65 6.313,66 19.623,67 2.087,68 1.376,69 5,70 5,71 8.285}
{0 CHEMBL1650735,1 2,2 21.211,3 -0.219,4 1,5 5,7 65.176,8 -0.368,9 -0.063,10 4.941,11 1.339,12 0.733,13 0.887,14 256.913,15 1.61,16 234.912,17 1.678,18 36.557,19 2,20 260.913,21 1.696,22 4,23 1.554,24 1.468,25 0.097,26 2.119,27 1.157,28 34.6,29 1.832,30 4,31 4.836,32 1.037,33 4,34 2.717,35 5.018,36 12,37 7.334,38 4.819,39 296.423,40 52,41 1.757,42 9,43 7,44 0.06,45 0.9,46 1.5,47 0.639,48 14,49 0.825,50 10.822,51 5.018,52 3.648,53 17,54 4.17,55 3.615,56 4,57 3.669,58 1.265,60 154.574,61 2.542,62 5.027,63 139.614,64 0.629,65 6.247,66 20.999,67 1.956,68 1.376,69 5,70 5,71 7.523}
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{0 CHEMBL180022,1 1,2 8.696,3 -0.081,5 1,7 48.297,8 -0.194,9 -0.017,10 5.293,11 1.053,12 0.65,13 0.996,14 365.224,15 1.818,16 307.766,17 1.907,18 36.005,19 1,20 393.224,21 1.901,22 4,23 1.783,24 1.702,25 0.095,26 1.948,27 1.124,28 43.5,29 1.93,30 3,31 5.313,32 0.927,33 3,34 1.309,35 5.699,36 10,37 8.415,38 5.242,39 421.488,40 69,41 1.919,42 6,43 6,44 0.03,45 0.7,46 1.558,47 0.687,48 22,49 1.046,50 17.037,51 5.699,52 3.749,53 26,54 4.755,55 3.747,56 3,57 3.727,58 1.448,60 103.776,61 2.599,62 5.33,63 103.776,64 0.658,65 7.251,66 24.666,67 2.445,68 1.544,69 2,70 2,71 5}
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{0 CHEMBL1822511,1 1,2 9.049,3 -0.131,4 1,5 4,6 1,7 32.239,8 -0.163,9 -0.034,10 3.974,11 1.135,12 0.67,13 0.708,14 190.755,15 1.745,16 208.079,17 1.578,18 19.638,19 2,20 216.039,21 1.564,22 4,23 1.7,24 1.437,25 0.109,27 1.124,28 43.8,29 1.899,31 4.956,32 0.939,35 4.501,36 7,37 8.326,38 5.073,39 268.078,40 48,41 1.818,42 4,43 3,44 0.076,45 0.6,46 1.537,47 0.677,48 18,49 0.876,50 10.978,51 4.788,52 3.727,53 22,54 4.524,55 3.723,56 3,57 3.541,58 1.181,59 114.229,60 52.623,61 2.479,62 4.867,63 52.623,64 0.655,65 7.058,66 17.705,67 1.739,68 1.481,69 2,70 2,71 9.699}
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{0 CHEMBL1822525,1 1,2 9.208,3 -0.136,4 1,5 6,6 1,7 54.335,8 -0.293,9 -0.025,10 4.982,11 1.318,12 0.675,13 1.184,14 373.638,15 1.776,16 224.047,17 1.901,18 34.113,19 2,20 417.387,21 1.903,22 5,23 1.731,24 1.722,25 0.1,26 5.848,27 1.134,28 37.3,29 1.977,30 5,31 5.434,32 1.05,33 5,34 4.212,35 5.565,36 12,37 8.549,38 5.245,39 467.161,40 75,41 1.927,42 7,43 10,44 0.185,45 0.6,46 1.578,47 0.656,48 29,49 1.095,50 23.621,51 5.655,52 3.822,53 24,54 4.644,55 3.853,56 4,57 3.948,58 1.568,59 175.447,60 60.39,61 2.849,62 5.552,63 60.39,64 0.621,65 7.282,66 34.849,67 2.262,68 1.56,69 2,70 2,71 6.421}
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{0 CHEMBL1833986,1 1,2 12.8,3 0.119,4 1,7 22.351,8 0.04,9 0.108,10 4.639,11 0.887,12 0.685,13 0.896,14 250.499,15 1.664,16 244.579,17 1.729,18 15.473,19 1,20 262.009,21 1.722,22 6,23 1.616,24 1.552,25 0.099,27 1.13,28 42.6,29 1.837,30 4,31 5.568,32 0.813,34 5.102,35 4.852,36 8,37 9.16,38 5.218,39 310.764,40 54,41 1.753,42 7,43 7,44 0.03,45 0.7,46 1.363,47 0.678,48 4,49 1.041,50 14.9,51 4.903,52 3.759,53 22,54 4.524,55 3.744,56 4,57 3.877,58 1.282,59 194.25,60 150.947,61 2.861,62 5.163,63 150.947,64 0.65,65 7.694,66 19.21,67 2.177,68 1.376,69 3,70 3,71 7.538}
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{0 CHEMBL1834948,1 1,2 8.252,3 0.094,4 1,7 22.351,8 0.043,9 0.082,10 4.499,11 0.958,12 0.642,13 0.872,14 251.928,15 1.795,16 263.29,17 1.839,18 15.473,19 1,20 281.173,21 1.863,22 4,23 1.743,24 1.671,25 0.108,27 1.131,28 41.1,29 1.959,31 5.46,32 0.897,35 5.021,36 7,37 9.113,38 5.185,39 325.212,40 56,41 1.967,42 6,43 6,44 0.017,45 0.7,46 1.417,47 0.663,48 7,49 1.103,50 16.659,51 5.057,52 3.68,53 22,54 4.524,55 3.689,56 2,57 3.882,58 1.383,59 186.447,60 134.162,61 2.85,62 5.394,63 134.162,64 0.627,65 7.677,66 21.252,67 1.674,68 1.374,69 2,70 2,71 7.921}
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{0 CHEMBL1835022,1 1,2 4.348,3 0.114,7 20.514,8 0.029,9 0.105,10 4.554,11 0.879,12 0.67,13 0.661,14 168.485,15 1.819,16 158.332,17 1.491,18 13.939,19 1,20 178.75,21 1.534,22 4,23 1.776,24 1.216,25 0.143,27 1.136,28 43.2,29 1.963,30 3,31 5.118,32 0.801,34 3.387,35 4.831,36 6,37 8.391,38 4.943,39 192.75,40 37,41 1.907,42 4,43 4,44 0.01,45 0.8,46 1.079,47 0.675,48 4,49 1.015,50 8.246,51 4.831,52 3.606,53 16,54 4.087,55 3.596,56 2,57 3.617,58 1.076,59 120.736,60 99.439,61 2.556,62 4.695,63 84.479,64 0.658,65 7.388,66 12.346,67 1.302,68 1.05,69 1,70 1,71 7.081}
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{0 CHEMBL1835024,1 1,2 4.42,3 0.097,7 20.514,8 0.026,9 0.091,10 4.34,11 0.948,12 0.656,13 0.738,14 186.6,15 1.827,16 163.401,17 1.529,18 13.939,19 1,20 203.82,21 1.558,22 4,23 1.782,24 1.269,25 0.132,27 1.136,28 41.9,29 1.972,30 5,31 5.176,32 0.873,34 5.847,35 4.74,36 6,37 8.415,38 4.958,39 233.329,40 43,41 1.912,42 4,43 6,44 0.02,45 0.8,46 1.218,47 0.663,48 4,49 1.018,50 10.019,51 4.868,52 3.61,53 16,54 4.087,55 3.599,56 2,57 3.576,58 1.143,59 134.309,60 99.439,61 2.511,62 5.009,63 84.479,64 0.637,65 7.393,66 16.276,67 1.449,68 1.296,69 1,70 1,71 7.77}
{0 CHEMBL1835025,1 1,2 4.45,3 0.09,7 20.514,8 0.025,9 0.085,10 4.224,11 0.977,12 0.65,13 0.776,14 194.309,15 1.712,16 165.936,17 1.886,18 13.939,19 1,20 214.084,21 1.867,22 4,23 1.647,24 1.705,25 0.128,27 1.137,28 41.3,29 1.912,30 6,31 5.187,32 0.904,34 7.111,35 4.654,36 6,37 8.418,38 4.965,39 254.084,40 46,41 1.962,42 4,43 7,44 0.023,45 0.8,46 1.253,47 0.658,48 4,49 1.183,50 10.887,51 4.828,52 3.611,53 16,54 4.087,55 3.601,56 2,57 3.569,58 1.181,59 140.552,60 99.439,61 2.503,62 5.165,63 84.479,64 0.629,65 7.395,66 18.039,67 1.546,68 1.151,69 1,70 1,71 7.721}
{0 CHEMBL1835026,1 1,2 4.379,3 0.054,7 27.412,8 -0.015,9 0.077,10 4.705,11 0.984,12 0.677,13 0.706,14 192.905,15 1.755,16 164.982,17 1.498,18 18.252,19 1,20 197.66,21 1.542,22 4,23 1.708,24 1.222,25 0.132,27 1.138,28 41.5,29 1.94,30 4,31 5.176,32 0.856,33 2,34 3.139,35 4.821,36 7,37 8.415,38 4.958,39 219.66,40 41,41 1.9,42 4,43 5,44 0.02,45 0.8,46 1.181,47 0.663,48 8,49 1.014,50 9.129,51 4.821,52 3.592,53 16,54 4.087,55 3.584,56 2,57 3.57,58 1.142,59 134.309,60 99.439,61 2.493,62 4.914,63 84.479,64 0.648,65 7.393,66 15.035,67 1.582,68 1.225,69 1,70 1,71 7.745}
{0 CHEMBL1835027,2 4.445,3 0.047,7 16.335,8 -0.058,9 0.067,10 4.486,11 0.945,12 0.682,13 0.662,14 165.995,15 1.577,16 145.123,17 1.662,18 14.13,19 1,20 170.75,21 1.67,22 4,23 1.507,24 1.417,25 0.143,26 2.172,27 1.136,28 43.2,29 1.793,30 4,31 5.159,32 0.838,33 2,34 4.051,35 4.615,36 6,37 8.462,38 4.958,39 192.75,40 37,41 1.86,42 4,43 4,44 0.025,45 0.8,46 1.142,47 0.675,48 7,49 1.043,50 9.251,51 4.615,52 3.571,53 16,54 4.087,55 3.566,56 2,57 3.677,58 0.905,59 116.853,60 84.553,61 2.562,62 4.742,63 69.593,64 0.658,65 7.44,66 13.008,67 1.299,68 1.087,69 1,70 1,71 6.638}
{0 CHEMBL1835028,2 4.486,3 0.042,7 16.335,8 -0.056,9 0.062,10 4.465,11 0.977,12 0.674,13 0.7,14 178.612,15 1.764,16 147.657,17 1.488,18 14.13,19 1,20 188.877,21 1.528,22 4,23 1.707,24 1.217,25 0.138,26 2.203,27 1.136,28 42.5,29 1.932,30 5,31 5.193,32 0.874,33 2,34 5.26,35 4.722,36 6,37 8.477,38 4.965,39 212.877,40 40,41 1.896,42 4,43 5,44 0.03,45 0.8,46 1.185,47 0.669,48 7,49 1.015,50 10.126,51 4.722,52 3.583,53 16,54 4.087,55 3.578,56 2,57 3.667,58 1.141,59 123.59,60 84.553,61 2.552,62 4.9,63 69.593,64 0.647,65 7.444,66 14.859,67 1.352,68 1.197,69 1,70 1,71 6.721}
{0 CHEMBL1835029,2 4.609,3 0.033,7 20.602,8 -0.051,9 0.052,10 4.523,11 1.053,12 0.654,13 0.816,14 221.637,15 1.828,16 159.446,17 1.754,18 15.712,19 1,20 238.856,21 1.726,22 4,23 1.784,24 1.503,25 0.124,26 2.296,27 1.137,28 40.8,29 1.973,30 6,31 5.293,32 0.959,33 1,34 6.773,35 4.875,36 6,37 8.52,38 5.006,39 275.121,40 49,41 1.92,42 4,43 8,44 0.037,45 0.8,46 1.356,47 0.654,48 6,49 1.051,50 17.678,51 4.987,52 3.611,53 16,54 4.087,55 3.601,56 2,57 3.729,58 1.213,59 149.338,60 84.553,61 2.712,62 5.157,63 69.593,64 0.621,65 7.469,66 20.065,67 1.495,68 1.376,69 1,70 1,71 5.569}
{0 CHEMBL1835030,1 1,2 4.513,3 0.098,7 19.851,8 0.052,9 0.089,10 4.218,11 0.948,12 0.652,13 0.667,14 181.355,15 1.828,16 163.756,17 1.53,18 12.311,19 1,20 201.82,21 1.558,22 4,23 1.782,24 1.27,25 0.137,27 1.128,28 41.9,29 1.972,30 5,31 5.069,32 0.887,34 6.17,35 4.693,36 5,37 8.306,38 4.925,39 233.329,40 43,41 1.915,42 4,43 6,44 0.032,45 0.8,46 1.273,47 0.664,48 5,49 1.023,50 10.517,51 4.868,52 3.605,53 16,54 4.087,55 3.6,56 2,57 3.566,58 1.144,59 126.755,60 84.479,61 2.504,62 5.001,63 84.479,64 0.628,65 7.32,66 17.036,67 1.416,68 1.294,69 1,70 1,71 7.229}
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{0 CHEMBL1835032,1 1,2 4.495,3 0.095,7 20.492,8 0.055,9 0.086,10 4.34,11 0.854,12 0.656,13 0.656,14 186.6,15 1.828,16 157.781,17 1.53,18 13.912,19 1,20 203.82,21 1.558,22 4,23 1.782,24 1.27,25 0.133,27 1.127,28 41.9,29 1.972,30 5,31 5.159,32 0.83,34 6.026,35 4.74,36 6,37 8.414,38 4.973,39 233.329,40 43,41 1.914,42 4,43 6,44 0.007,45 0.8,46 1.26,47 0.684,48 4,49 1.022,50 10.295,51 4.868,52 3.613,53 16,54 4.087,55 3.609,56 2,57 3.576,58 1.093,59 132.962,60 84.479,61 2.509,62 4.999,63 84.479,64 0.647,65 7.39,66 16.172,67 1.457,68 1.289,69 1,70 1,71 6.959}
{0 CHEMBL1835033,1 1,2 4.593,3 0.099,7 19.851,8 0.078,9 0.087,10 4.266,11 0.898,12 0.638,13 0.784,14 226.096,15 1.837,16 208.033,17 1.885,18 12.311,19 1,20 260.56,21 1.875,22 5,23 1.789,24 1.77,25 0.108,27 1.12,28 45.3,29 1.977,30 5,31 5.481,32 0.855,34 6.1,35 4.916,36 5,37 9.083,38 5.17,39 303.58,40 53,41 1.949,42 4,43 6,44 0.037,45 0.8,46 1.356,47 0.681,48 9,49 1.092,50 14.221,51 5.124,52 3.728,53 22,54 4.524,55 3.742,56 3,57 3.648,58 1.266,59 171.872,60 84.479,61 2.644,62 5.198,63 84.479,64 0.643,65 7.662,66 20.042,67 1.582,68 1.376,69 1,70 1,71 7.155}
{0 CHEMBL1835034,1 1,2 4.615,3 0.099,7 19.851,8 0.078,9 0.087,10 4.266,11 0.898,12 0.638,13 0.784,14 226.096,15 1.834,16 208.033,17 1.891,18 12.311,19 1,20 260.56,21 1.879,22 5,23 1.786,24 1.779,25 0.108,27 1.12,28 45.3,29 1.974,30 5,31 5.476,32 0.855,34 6.088,35 4.916,36 5,37 9.084,38 5.17,39 303.58,40 53,41 1.938,42 4,43 6,44 0.037,45 0.8,46 1.357,47 0.681,48 9,49 1.077,50 14.383,51 5.124,52 3.728,53 22,54 4.524,55 3.742,56 3,57 3.638,58 1.257,59 171.063,60 84.479,61 2.632,62 5.198,63 84.479,64 0.643,65 7.659,66 20.042,67 1.633,68 1.376,69 1,70 1,71 6.745}
{0 CHEMBL1835035,1 1,2 4.268,3 0.078,7 22.351,8 0.081,9 0.072,10 4.638,11 0.954,12 0.647,13 0.842,14 250.425,15 1.842,16 199.13,17 1.779,18 15.473,19 2,20 274.499,21 1.802,22 5,23 1.791,24 1.51,25 0.108,27 1.127,28 42.6,29 1.989,30 5,31 5.497,32 0.895,34 6.225,35 5.083,36 6,37 9.101,38 5.177,39 310.764,40 54,41 1.968,42 5,43 7,44 0.05,45 0.8,46 1.485,47 0.668,48 9,49 1.109,50 15.834,51 5.222,52 3.724,53 21,54 4.459,55 3.735,56 3,57 3.667,58 1.353,59 173.282,60 86.133,61 2.66,62 5.224,63 86.133,64 0.631,65 7.658,66 21.493,67 1.597,68 1.419,69 1,70 1,71 8.301}
{0 CHEMBL1835036,1 1,2 8.881,3 0.055,7 22.351,8 0.019,9 0.062,10 4.719,11 0.983,12 0.664,13 0.855,14 250.096,15 1.829,16 205.582,17 1.78,18 15.473,19 2,20 269.315,21 1.803,22 5,23 1.783,24 1.513,25 0.108,27 1.131,28 41.5,29 1.973,30 5,31 5.497,32 0.899,34 6.051,35 5.081,36 7,37 9.086,38 5.177,39 303.58,40 53,41 1.917,42 6,43 7,44 0.051,45 0.8,46 1.488,47 0.667,48 7,49 1.043,50 13.5,51 5.185,52 3.724,53 21,54 4.459,55 3.735,56 3,57 3.66,58 1.356,59 172.449,60 102.919,61 2.648,62 5.204,63 102.919,64 0.634,65 7.655,66 20.925,67 1.637,68 1.397,69 2,70 2,71 7.886}
{0 CHEMBL1835037,1 1,2 4.031,3 0.133,7 19.851,8 0.172,9 0.103,10 4.583,11 0.881,12 0.643,13 0.801,14 233.71,15 1.842,16 205.621,17 1.631,18 12.311,19 2,20 257.784,21 1.674,22 5,23 1.791,24 1.442,25 0.112,27 1.126,28 43.1,29 1.988,30 5,31 5.464,32 0.843,34 6.223,35 5.055,36 6,37 9.039,38 5.151,39 289.294,40 51,41 1.967,42 5,43 6,44 0.036,45 0.8,46 1.406,47 0.673,48 6,49 1.108,50 14.926,51 5.202,52 3.721,53 21,54 4.459,55 3.731,56 3,57 3.651,58 1.353,59 164.216,60 101.019,61 2.645,62 5.162,63 101.019,64 0.638,65 7.64,66 19.468,67 1.576,68 1.419,69 1,70 1,71 7.886}
{0 CHEMBL1835038,1 1,2 8.818,3 0.111,7 19.851,8 0.107,9 0.093,10 4.644,11 0.908,12 0.661,13 0.814,14 232.219,15 1.83,16 212.072,17 1.66,18 12.311,19 2,20 252.683,21 1.687,22 5,23 1.784,24 1.453,25 0.112,27 1.13,28 42,29 1.973,30 5,31 5.464,32 0.846,34 6.061,35 5.054,36 7,37 9.039,38 5.151,39 282.193,40 50,41 1.916,42 6,43 6,44 0.036,45 0.8,46 1.376,47 0.672,48 5,49 1.045,50 12.661,51 5.164,52 3.72,53 21,54 4.459,55 3.726,56 3,57 3.647,58 1.34,59 164.216,60 117.805,61 2.633,62 5.129,63 117.805,64 0.641,65 7.64,66 18.815,67 1.576,68 1.414,69 2,70 2,71 7.638}
{0 CHEMBL1835039,1 1,2 4.258,3 0.053,7 22.351,8 0.051,9 0.052,10 4.591,11 1.015,12 0.629,13 0.856,14 257.073,15 1.795,16 221.759,17 1.779,18 15.473,19 2,20 278.418,21 1.802,22 4,23 1.743,24 1.51,25 0.112,27 1.13,28 41.1,29 1.959,31 5.447,32 0.952,35 4.972,36 6,37 9.081,38 5.166,39 325.212,40 56,41 1.962,42 5,43 7,44 0.042,45 0.8,46 1.417,47 0.658,48 9,49 1.105,50 16.622,51 5.007,52 3.684,53 21,54 4.459,55 3.693,56 2,57 3.909,58 1.417,59 179.435,60 86.133,61 2.889,62 5.409,63 86.133,64 0.618,65 7.656,66 22.396,67 1.666,68 1.493,69 1,70 1,71 6.432}
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{0 CHEMBL1835042,1 1,2 8.076,3 0.082,7 20.492,8 0.114,9 0.066,10 4.432,11 0.881,12 0.625,13 0.81,14 239.338,15 1.795,16 231.749,17 1.813,18 13.912,19 1,20 268.725,21 1.828,22 4,23 1.743,24 1.677,25 0.108,27 1.126,28 42.6,29 1.959,31 5.455,32 0.861,35 4.976,36 7,37 9.115,38 5.185,39 310.764,40 54,41 1.966,42 5,43 6,44 0.013,45 0.8,46 1.417,47 0.684,48 8,49 1.104,50 15.768,51 5.013,52 3.682,53 22,54 4.524,55 3.692,56 2,57 3.873,58 1.382,59 188.398,60 101.019,61 2.847,62 5.368,63 101.019,64 0.647,65 7.674,66 20.204,67 1.692,68 1.362,69 2,70 2,71 7.854}
{0 CHEMBL1835043,1 1,2 8.095,3 0.122,7 22.351,8 0.157,9 0.09,10 4.425,11 0.93,12 0.625,13 0.873,14 247.786,15 1.795,16 263.903,17 1.849,18 15.473,19 1,20 281.173,21 1.868,22 4,23 1.743,24 1.692,25 0.108,27 1.131,28 41.1,29 1.959,31 5.455,32 0.889,35 5.021,36 7,37 9.115,38 5.185,39 325.212,40 56,41 1.967,42 6,43 6,44 0.019,45 0.7,46 1.417,47 0.663,48 8,49 1.104,50 16.175,51 5.057,52 3.682,53 22,54 4.524,55 3.691,56 2,57 3.875,58 1.386,59 188.398,60 133.917,61 2.852,62 5.408,63 133.917,64 0.627,65 7.674,66 21.044,67 1.68,68 1.38,69 2,70 2,71 8}
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{0 CHEMBL1945559,3 0.016,7 39.491,8 -0.095,9 0.038,10 4.603,11 0.835,12 0.677,13 0.605,14 184.122,15 1.611,16 144.576,17 1.54,18 24.352,19 1,20 188.122,21 1.529,22 4,23 1.557,24 1.308,25 0.158,27 1.125,28 42.5,29 1.808,30 4,31 5.394,32 0.804,33 2,34 3.026,35 4.703,36 7,37 7.659,38 4.906,39 212.877,40 40,41 1.774,42 4,43 7,44 0.006,45 0.8,46 1.16,47 0.713,48 9,49 0.968,50 10.178,51 4.703,52 3.424,53 12,54 3.7,55 3.423,56 1,57 3.624,58 0.968,59 130.512,60 68.98,61 2.496,62 5.099,63 68.98,64 0.679,65 7.07,66 13.966,67 1.96,68 1.134,71 5}
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{0 CHEMBL1965033,3 0.049,7 27.724,8 -0.002,9 0.057,10 4.562,11 0.936,12 0.638,13 0.949,14 196.168,15 1.695,16 198.896,17 1.538,18 22.898,20 213.82,21 1.597,22 3,23 1.66,24 1.283,25 0.144,27 1.155,28 44.2,29 1.851,31 4.407,32 0.818,35 4.973,36 10,37 6.841,38 4.816,39 233.329,40 43,41 1.837,42 4,43 2,44 -0.008,45 0.4,46 1.152,47 0.675,48 8,49 0.915,50 8.108,51 5.019,52 3.621,53 16,54 4.087,55 3.609,56 3,57 3.732,58 1.099,60 130.413,61 2.583,62 4.892,63 70.573,64 0.692,65 6.227,66 10.741,67 2.033,68 1.133,71 5.6}
{0 CHEMBL1965131,3 0.138,7 17.631,8 0.194,9 0.103,10 4.329,11 0.619,12 0.615,13 0.464,14 155.853,15 1.567,16 146.806,17 1.528,18 14.937,20 171.362,21 1.542,22 3,23 1.565,24 1.294,25 0.141,27 1.103,28 47.2,29 1.71,31 4.644,32 0.644,35 4.76,36 7,37 7.412,38 4.921,39 186.117,40 36,41 1.6,42 2,43 1,44 -0.007,45 0.4,46 1.007,47 0.774,48 6,49 0.741,50 5.267,51 4.76,52 3.433,53 18,54 4.248,55 3.454,56 2,57 3.601,58 0.839,59 96.7,60 50.908,61 2.458,62 4.578,63 50.908,64 0.735,65 6.769,66 7.114,67 1.875,68 1.06,71 5.8}
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{0 CHEMBL1965170,2 8.709,3 0.099,5 1,7 28.661,8 0.053,9 0.075,10 5.113,11 0.864,12 0.651,13 0.982,14 327.245,15 1.844,16 261.156,17 1.882,18 24.014,19 1,20 347.245,21 1.899,22 5,23 1.826,24 1.648,25 0.085,27 1.123,28 42.2,29 1.937,30 2,31 5.375,32 0.815,33 2,34 -0.144,35 5.426,36 11,37 8.704,38 5.313,39 384,40 64,41 1.899,42 6,43 4,44 0.026,45 0.4,46 1.423,47 0.689,48 16,49 1.064,50 14.046,51 5.551,52 3.808,53 28,54 4.858,55 3.804,56 4,57 3.695,58 1.381,59 172.715,60 104.144,61 2.627,62 5.258,63 104.144,64 0.663,65 7.409,66 22.639,67 2.318,68 1.531,69 2,70 2,71 5.6}
{0 CHEMBL1965387,2 4.381,3 0.043,5 1,7 32.756,8 0.034,9 0.053,10 4.742,11 0.879,12 0.653,13 0.927,14 289.246,15 1.78,16 277.136,17 1.858,18 26.622,19 2,20 328.265,21 1.859,22 5,23 1.755,24 1.685,25 0.089,27 1.123,28 44.3,29 1.929,30 3,31 5.112,32 0.816,33 2,34 2.322,35 5.381,36 9,37 8.179,38 5.239,39 361.775,40 61,41 1.924,42 6,43 3,44 0.017,45 0.5,46 1.505,47 0.695,48 16,49 1.059,50 14.387,51 5.537,52 3.813,53 28,54 4.858,55 3.802,56 4,57 3.634,58 1.384,59 164.256,60 104.144,61 2.557,62 5.185,63 104.144,64 0.666,65 7.071,66 19.858,67 2.288,68 1.568,69 1,70 1,71 5.6}
{0 CHEMBL1965423,2 9.327,3 0.022,5 1,7 4.198,8 -0.106,9 0.033,10 4.637,11 0.879,12 0.672,13 0.837,14 227.205,15 1.725,16 199.633,17 1.691,18 7.489,19 2,20 242.856,21 1.72,22 5,23 1.662,24 1.515,25 0.101,27 1.124,28 44.9,29 1.911,30 1,31 5.464,32 0.836,33 1,34 0.802,35 4.956,36 7,37 9.059,38 5.271,39 275.121,40 49,41 1.936,42 5,43 4,44 0.061,45 0.6,46 1.282,47 0.708,48 9,49 1.054,50 14.624,51 5.012,52 3.766,53 25,54 4.7,55 3.786,56 3,57 3.602,58 1.224,59 101.724,60 84.614,61 2.536,62 5.074,63 69.654,64 0.671,65 7.635,66 18.806,67 1.67,68 1.266,69 2,70 2,71 5.8}
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{0 CHEMBL1965507,2 8.078,3 0.102,7 34.91,8 0.004,9 0.082,10 4.463,11 0.798,12 0.658,13 0.77,14 214.204,15 1.805,16 250.243,17 1.629,18 24.83,20 237.714,21 1.662,22 4,23 1.778,24 1.472,25 0.11,27 1.121,28 43.8,29 1.928,31 4.691,32 0.757,35 4.952,36 9,37 7.388,38 5.059,39 268.078,40 48,41 1.839,42 6,43 1,44 0.024,45 0.4,46 1.181,47 0.712,48 8,49 0.949,50 7.922,51 5.278,52 3.815,53 24,54 4.644,55 3.818,56 3,57 3.636,58 1.179,59 140.252,60 120.5,61 2.596,62 4.933,63 120.5,64 0.686,65 6.629,66 15.017,67 2.087,68 1.287,69 2,70 2,71 5.8}
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{0 CHEMBL1965910,2 9.019,3 -0.025,5 3,7 30.133,8 -0.134,9 0.026,10 4.506,11 1.087,12 0.664,13 1.019,14 306.399,15 1.892,16 219.871,17 1.891,18 26.71,19 1,20 347.947,21 1.905,22 6,23 1.857,24 1.735,25 0.085,26 2.705,27 1.125,28 42.6,29 1.987,30 9,31 5.46,32 0.979,33 3,34 10.662,35 5.117,36 6,37 8.342,38 5.168,39 413.947,40 68,41 2.002,42 5,43 11,44 0.079,45 0.8,46 1.52,47 0.664,48 17,49 1.16,50 22.822,51 5.323,52 3.789,53 22,54 4.524,55 3.793,56 5,57 3.693,58 1.513,59 141.485,60 71.492,61 2.617,62 5.505,63 71.492,64 0.621,65 7.174,66 29.169,67 1.783,68 1.522,69 2,70 2,71 5.8}
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{0 CHEMBL1966069,2 20.826,3 0.025,5 1,7 20.475,8 0.208,9 0.008,10 4.457,11 0.874,12 0.667,13 0.68,14 160.466,15 1.566,16 204.339,17 1.604,18 14.706,19 3,20 180.117,21 1.662,22 5,23 1.51,24 1.314,25 0.114,27 1.134,28 44.4,29 1.76,30 1,31 4.905,32 0.779,33 1,34 0.522,35 5.003,36 8,37 8.195,38 5.123,39 186.117,40 36,41 1.715,42 8,43 1,44 0.09,45 0.4,46 1.105,47 0.71,48 9,49 0.896,50 4.581,51 5.114,52 3.636,53 25,54 4.7,55 3.6,56 3,57 3.711,58 1.041,59 183.674,60 103.286,61 2.641,62 4.662,63 103.286,64 0.701,65 7.129,66 9.18,67 1.433,68 1.117,69 5,70 5,71 5.8}
{0 CHEMBL1966175,2 9.042,3 -0.118,5 1,7 9.696,8 -0.335,9 -0.025,10 4.898,11 1.161,12 0.708,13 0.699,14 205.722,15 1.535,16 170.189,17 1.694,18 11.676,19 2,20 211.722,21 1.705,22 4,23 1.492,24 1.471,25 0.152,26 1.796,27 1.135,28 40.5,29 1.73,30 4,31 5.075,32 0.97,33 2,34 2.172,35 5.041,36 7,37 8.098,38 4.917,39 226.477,40 42,41 1.709,42 6,43 7,44 0.068,45 0.8,46 1.373,47 0.668,48 5,49 0.847,50 11.686,51 5.089,52 3.514,53 16,54 4.087,55 3.493,56 2,57 3.603,58 1.115,59 143.163,60 85.827,61 2.55,62 5.055,63 85.827,64 0.643,65 7.114,66 16.444,67 1.608,68 1.318,69 2,70 2,71 9.1}
{0 CHEMBL1966279,3 0.033,7 18.535,8 0.107,9 0.084,10 4.475,11 1.067,12 0.618,13 0.887,14 255.091,15 1.837,16 251.541,17 1.88,18 19.367,20 298.11,21 1.861,22 4,23 1.813,24 1.663,25 0.127,27 1.123,28 42.1,29 1.942,30 3,31 4.949,32 0.844,33 2,34 1.11,35 5.23,36 10,37 7.676,38 5.101,39 332.475,40 57,41 1.941,42 5,43 3,44 0.158,45 0.6,46 1.308,47 0.69,48 16,49 1.132,50 13.166,51 5.517,52 3.776,53 23,54 4.585,55 3.78,56 3,57 3.814,58 1.183,60 101.864,61 2.796,62 5.163,63 101.864,64 0.665,65 6.783,66 19.564,67 1.856,68 1.426,71 5.8}
{0 CHEMBL1966343,2 8.075,3 0.104,5 1,7 3.971,8 0.215,9 0.067,10 4.286,11 0.955,12 0.632,13 0.545,14 150.015,15 1.388,16 162.346,17 1.541,18 6.8,19 1,20 158.015,21 1.528,22 3,23 1.35,24 1.35,25 0.149,27 1.134,28 40,29 1.645,30 1,31 4.407,32 0.9,34 0.916,35 4.515,36 5,37 7.59,38 4.696,39 179.525,40 35,41 1.57,42 4,43 4,44 0.051,45 0.8,46 1.085,47 0.658,48 4,49 0.716,50 5.714,51 4.515,52 3.435,53 15,54 4,55 3.434,56 2,57 3.396,58 1.042,59 71.905,60 85.82,61 2.379,62 4.734,63 85.82,64 0.627,65 6.685,66 13.125,67 0.76,68 1.16,69 2,70 2,71 6.8}
{0 CHEMBL1966514,2 4.375,3 0.099,7 22.779,8 0.052,9 0.087,10 4.691,11 0.757,12 0.648,13 0.77,14 229.837,15 1.843,16 248.465,17 1.599,18 16.513,20 258.366,21 1.612,22 5,23 1.825,24 1.474,25 0.099,27 1.114,28 49,29 1.93,31 5.198,32 0.712,35 5.273,36 8,37 8.549,38 5.239,39 275.121,40 49,41 1.891,42 4,44 0.025,45 0.4,46 1.276,47 0.732,48 9,49 1.043,50 9.429,51 5.411,52 3.802,53 28,54 4.858,55 3.801,56 4,57 3.692,58 1.181,59 137.76,60 100.664,61 2.623,62 4.913,63 85.704,64 0.71,65 7.305,66 12.968,67 2.042,68 1.309,69 1,70 1,71 6.3}
{0 CHEMBL1966524,2 8.536,3 0.075,5 1,7 7.94,8 0.032,9 0.068,10 4.846,11 0.814,12 0.647,13 0.71,14 237.469,15 1.837,16 222.96,17 1.866,18 8.592,19 1,20 267.121,21 1.859,22 5,23 1.819,24 1.683,25 0.096,27 1.111,28 46.9,29 1.946,30 2,31 4.875,32 0.786,33 1,34 1.182,35 5.451,36 6,37 7.881,38 5.172,39 275.121,40 49,41 1.906,42 4,43 3,44 0.057,45 0.6,46 1.275,47 0.719,48 10,49 1.053,50 11.187,51 5.492,52 3.718,53 26,54 4.755,55 3.707,56 3,57 3.648,58 1.127,59 245.443,60 83.254,61 2.579,62 4.991,63 83.254,64 0.678,65 7.066,66 17.113,67 1.546,68 1.244,69 2,70 2,71 6}
{0 CHEMBL1966628,1 1,2 13.364,3 0.034,4 1,5 1,7 20,8 -0.102,9 0.058,10 4.385,11 1.024,12 0.685,13 0.712,14 188.574,15 1.725,16 195.889,17 1.619,18 12.649,19 1,20 201.329,21 1.634,22 4,23 1.675,24 1.391,25 0.122,27 1.137,28 39.5,29 1.895,30 4,31 4.673,32 0.92,34 4.272,35 4.682,36 6,37 7.723,38 4.774,39 233.329,40 43,41 1.827,42 6,43 6,44 0.045,45 0.8,46 1.179,47 0.66,48 5,49 0.835,50 7.975,51 4.915,52 3.604,53 16,54 4.087,55 3.586,56 3,57 3.484,58 1.099,59 85.916,60 118.05,61 2.416,62 4.99,63 118.05,64 0.624,65 6.727,66 17.236,67 1.207,68 1.172,69 3,70 3,71 6.6}
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{0 CHEMBL1966722,3 0.108,7 21.476,8 0.193,9 0.077,10 3.68,11 0.672,12 0.598,13 0.63,14 169.271,15 1.824,16 204.072,17 1.672,18 18.538,20 202.574,21 1.71,22 3,23 1.794,24 1.425,25 0.146,27 1.111,28 45.7,29 1.926,31 4.234,32 0.736,35 4.404,36 7,37 6.316,38 4.785,39 254.084,40 46,41 1.961,42 3,43 1,44 -0.013,45 0.6,46 1.181,47 0.729,48 14,49 1.01,50 10.811,51 4.524,52 3.743,53 20,54 4.392,55 3.753,56 3,57 3.278,58 1.181,60 53.787,61 2.278,62 4.908,63 53.787,64 0.69,65 6.001,66 12.09,67 1.38,68 1.062,71 5.8}
{0 CHEMBL1966808,2 13.076,3 0.032,7 20.315,8 -0.053,9 0.032,10 4.448,11 0.83,12 0.696,13 0.611,14 160.117,15 1.661,16 137.983,17 1.399,18 15.889,19 1,20 166.117,21 1.423,22 5,23 1.632,24 1.174,25 0.139,27 1.119,28 44.4,29 1.838,30 4,31 5.421,32 0.78,34 4.549,35 4.614,36 7,37 8.212,38 4.934,39 186.117,40 36,41 1.68,42 5,43 4,44 0.065,45 0.6,46 1.147,47 0.727,48 2,49 0.91,50 4.985,51 4.725,52 3.54,53 17,54 4.17,55 3.515,56 2,57 3.604,58 0.867,59 162.162,60 70.021,61 2.549,62 4.646,63 70.021,64 0.698,65 7.048,66 11.994,67 1.407,68 1.063,69 3,70 3,71 5.8}
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{0 CHEMBL1966842,1 1,2 14.346,3 -0.038,4 1,5 3,7 45.903,8 -0.197,9 -0.001,10 5.005,11 0.978,12 0.669,13 1.125,14 370.374,15 1.901,16 307.228,17 1.914,18 29.512,19 2,20 416.48,21 1.927,22 6,23 1.875,24 1.771,25 0.076,26 2.111,27 1.119,28 44.6,29 1.994,30 2,31 5.533,32 0.893,33 1,34 1.094,35 5.628,36 10,37 8.814,38 5.439,39 459.5,40 74,41 2.006,42 7,43 5,44 0.07,45 0.5,46 1.577,47 0.699,48 24,49 1.124,50 20.92,51 5.746,52 3.853,53 34,54 5.129,55 3.855,56 5,57 3.733,58 1.571,60 90.789,61 2.695,62 5.453,63 90.789,64 0.663,65 7.52,66 28.373,67 2.327,68 1.62,69 3,70 3,71 5.6}
{0 CHEMBL1967094,2 4.325,3 0.105,7 10.29,8 0.173,9 0.071,10 4.107,11 0.686,12 0.62,13 0.541,14 160.157,15 1.597,16 169.786,17 1.566,18 9.346,19 1,20 185.376,21 1.593,22 4,23 1.579,24 1.459,25 0.128,27 1.104,28 48.7,29 1.723,30 1,31 4.691,32 0.702,33 1,34 0.462,35 4.753,36 6,37 7.811,38 4.978,39 206.131,40 39,41 1.681,42 3,43 1,44 0.022,45 0.4,46 1.181,47 0.758,48 12,49 0.82,50 7.021,51 4.824,52 3.76,53 22,54 4.524,55 3.786,56 3,57 3.567,58 1.181,60 51.337,61 2.506,62 4.637,63 51.337,64 0.717,65 6.87,66 9.921,67 1.267,68 1.062,69 1,70 1,71 5.8}
{0 CHEMBL1967116,2 8.71,3 0.087,7 26.718,8 0.062,9 0.065,10 4.867,11 0.809,12 0.644,13 0.859,14 267.71,15 1.846,16 263.331,17 1.776,18 20.473,19 1,20 291.71,21 1.8,22 5,23 1.827,24 1.509,25 0.096,27 1.117,28 45.5,29 1.935,31 5.257,32 0.787,35 5.304,36 8,37 8.613,38 5.263,39 317.975,40 55,41 1.893,42 6,43 2,44 0.049,45 0.6,46 1.387,47 0.713,48 11,49 1.059,50 11.972,51 5.427,52 3.807,53 28,54 4.858,55 3.805,56 4,57 3.706,58 1.276,59 142.688,60 104.144,61 2.658,62 5.088,63 104.144,64 0.677,65 7.341,66 18.97,67 2.136,68 1.396,69 2,70 2,71 7.2}
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{0 CHEMBL1967252,2 8.34,3 0.042,5 1,7 1.471,8 0.094,9 0.038,10 4.001,11 0.866,12 0.625,13 0.411,14 108.017,15 1.492,16 138.258,17 1.284,18 2.425,19 1,20 121.627,21 1.276,22 3,23 1.417,24 1.034,25 0.174,27 1.117,28 48.1,29 1.744,31 4.159,32 0.813,35 4.505,36 3,37 7.464,38 4.638,39 128.382,40 27,41 1.706,42 3,43 1,44 0.057,45 0.6,46 0.978,47 0.706,48 5,49 0.737,50 4.73,51 4.579,52 3.26,53 16,54 4.087,55 3.26,56 2,57 2.907,58 0.802,59 53.748,60 50.112,61 1.881,62 4.298,63 50.112,64 0.673,65 6.616,66 8.624,67 0.712,68 0.958,69 2,70 2,71 5.1}
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{0 CHEMBL1967336,2 11.526,3 -0.054,7 20.317,8 -0.17,9 0.011,10 4.349,11 0.966,12 0.693,13 0.661,14 134.825,15 1.462,16 183.316,17 1.47,18 14.978,20 151.58,21 1.503,22 3,23 1.424,24 1.214,25 0.149,27 1.149,28 45.2,29 1.632,31 4.277,32 0.791,35 4.89,36 8,37 7.01,38 4.758,39 153.58,40 31,41 1.59,42 5,44 -0.001,45 0.4,46 0.818,47 0.698,48 3,49 0.626,50 3.359,51 4.954,52 3.39,53 18,54 4.248,55 3.375,56 2,57 3.358,58 0.798,60 116.298,61 2.267,62 4.361,63 86.378,64 0.715,65 6.481,66 5.42,67 1.439,68 0.875,69 3,70 3,71 5.6}
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{0 CHEMBL1967992,1 1,2 4.035,3 0.022,7 15.544,8 -0.021,9 0.031,10 3.859,11 0.873,12 0.602,13 0.488,14 142.776,15 1.716,16 212.919,17 1.497,18 11.326,20 171.995,21 1.482,22 3,23 1.68,24 1.255,25 0.17,27 1.108,28 51.4,29 1.842,30 1,31 4.22,32 0.822,33 1,34 0.69,35 4.649,36 3,37 7.242,38 4.707,39 192.75,40 37,41 1.828,42 3,43 1,44 0.034,45 0.6,46 1.169,47 0.719,48 12,49 0.859,50 7.897,51 4.723,52 3.647,53 19,54 4.322,55 3.641,56 3,57 3.487,58 1.109,60 65.856,61 2.482,62 4.634,63 65.856,64 0.682,65 6.335,66 11,67 1.174,68 1.062,69 1,70 1,71 5.6}
{0 CHEMBL1967998,1 2,2 12.93,3 -0.059,4 1,5 3,7 55.634,8 -0.214,9 -0.003,10 4.443,11 1.017,12 0.695,13 0.939,14 253.239,15 1.746,16 233.664,17 1.832,18 32.595,19 3,20 290.11,21 1.843,22 5,23 1.686,24 1.682,25 0.09,26 4.9,27 1.135,28 40.4,29 1.94,30 5,31 4.99,32 0.914,33 5,34 5.449,35 5.09,36 9,37 7.889,38 5.059,39 332.475,40 57,41 1.932,42 8,43 6,44 0.04,45 0.8,46 1.464,47 0.68,48 17,49 1.07,50 13.661,51 5.223,52 3.682,53 22,54 4.524,55 3.66,56 4,57 3.772,58 1.238,59 144.3,60 109.167,61 2.588,62 5.226,63 109.167,64 0.645,65 6.796,66 22.022,67 1.683,68 1.376,69 3,70 3,71 8.6}
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{0 CHEMBL1968127,1 1,2 13.677,3 -0.155,4 1,5 1,7 21.18,8 -0.307,9 -0.047,10 4.715,11 1.228,12 0.692,13 0.922,14 259.346,15 1.752,16 215.103,17 1.736,18 14.469,19 1,20 270.955,21 1.734,22 4,23 1.704,24 1.48,25 0.101,26 2.163,27 1.14,28 40,29 1.908,30 2,31 5.13,32 1.033,33 2,34 1.666,35 4.926,36 8,37 8.41,38 5.051,39 317.975,40 55,41 1.852,42 6,43 7,44 0.069,45 0.8,46 1.417,47 0.655,48 15,49 0.913,50 16.462,51 4.926,52 3.7,53 21,54 4.459,55 3.695,56 3,57 3.624,58 1.408,60 87.738,61 2.57,62 5.381,63 72.778,64 0.627,65 7.253,66 22.294,67 1.524,68 1.375,69 3,70 3,71 5.8}
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{0 CHEMBL1968245,2 8.23,3 0.027,7 7.515,8 -0.011,9 0.044,10 4.836,11 0.879,12 0.638,13 0.71,14 241.786,15 1.779,16 234.446,17 1.854,18 8.957,19 1,20 264.193,21 1.852,22 4,23 1.749,24 1.679,25 0.102,27 1.118,28 46,29 1.92,30 2,31 4.522,32 0.828,33 1,34 1.051,35 5.284,36 6,37 7.262,38 5.011,39 282.193,40 50,41 1.896,42 4,43 3,44 0.017,45 0.6,46 1.276,47 0.704,48 12,49 1.059,50 11.816,51 5.364,52 3.719,53 23,54 4.585,55 3.711,56 3,57 3.519,58 1.181,59 130.82,60 83.254,61 2.481,62 5.013,63 83.254,64 0.667,65 6.565,66 16.834,67 1.546,68 1.244,69 2,70 2,71 5.8}
{0 CHEMBL1968380,1 1,2 9.424,3 -0.128,4 1,5 1,7 69.22,8 -0.336,9 -0.029,10 4.954,11 1.322,12 0.691,13 1.179,14 381.465,15 1.815,16 202.475,17 1.793,18 41.796,19 1,20 421.523,21 1.774,22 5,23 1.755,24 1.579,25 0.094,26 6.183,27 1.14,28 36.4,29 1.976,30 9,31 5.366,32 1.127,33 2,34 9.06,35 5.474,36 10,37 7.645,38 4.98,39 482.543,40 77,41 1.967,42 7,43 16,44 0.075,45 0.9,46 1.61,47 0.631,48 19,49 1.211,50 24.641,51 5.474,52 3.69,53 14,54 3.907,55 3.689,56 4,57 3.685,58 1.571,60 78.966,61 2.606,62 5.678,63 78.966,64 0.594,65 6.639,66 35.32,67 2.306,68 1.622,69 2,70 2,71 5.8}
{0 CHEMBL1968406,2 8.569,3 0.104,7 29.077,8 0.046,9 0.084,10 4.654,11 0.802,12 0.65,13 0.782,14 237.378,15 1.759,16 222.979,17 1.721,18 24.231,20 266.539,21 1.718,22 5,23 1.729,24 1.543,25 0.105,27 1.117,28 45.1,29 1.896,30 3,31 5.384,32 0.787,34 2.775,35 5.226,36 7,37 8.432,38 5.155,39 289.294,40 51,41 1.787,42 5,43 4,44 0.046,45 0.6,46 1.227,47 0.71,48 7,49 0.938,50 11.604,51 5.383,52 3.757,53 23,54 4.585,55 3.77,56 2,57 3.706,58 1.162,59 175.95,60 102.49,61 2.672,62 5.034,63 102.49,64 0.671,65 7.234,66 18.499,67 1.971,68 1.284,69 2,70 2,71 5.8}
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{0 CHEMBL1968705,1 1,2 13.975,3 -0.024,5 3,7 41.877,8 -0.089,9 0.019,10 5.053,11 1.065,12 0.663,13 1.129,14 368.863,15 1.872,16 272.463,17 1.869,18 29.259,19 2,20 417.102,21 1.852,22 6,23 1.848,24 1.661,25 0.08,26 2.439,27 1.127,28 42.5,29 1.976,30 8,31 5.501,32 0.944,33 4,34 7.672,35 5.714,36 9,37 8.881,38 5.336,39 451.857,40 73,41 1.977,42 7,43 9,44 0.064,45 0.7,46 1.521,47 0.669,48 18,49 1.179,50 17.77,51 5.741,52 3.817,53 28,54 4.858,55 3.817,56 4,57 3.787,58 1.47,59 158.523,60 106.043,61 2.753,62 5.421,63 106.043,64 0.636,65 7.495,66 28.71,67 2.298,68 1.647,69 3,70 3,71 5.6}
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{0 CHEMBL1968850,1 1,2 7.589,3 0.073,7 26.849,8 0.054,9 0.064,10 3.768,11 0.705,12 0.676,13 0.399,14 90.429,15 1.127,16 135.532,17 1.228,18 16.564,19 1,20 102.039,21 1.233,22 3,23 1.081,24 1.005,25 0.191,27 1.124,28 45.8,29 1.381,31 4.382,32 0.655,35 4.252,36 6,37 7.119,38 4.477,39 110.039,40 24,41 1.274,42 4,44 -0.009,45 0.4,46 0.503,47 0.744,48 5,49 0.278,50 2.328,51 4.502,52 3.057,53 13,54 3.807,55 3.023,56 1,57 3.141,58 0.425,60 69.348,61 2.06,62 4.246,63 69.348,64 0.737,65 6.121,66 3.523,67 0.723,68 0.538,69 2,70 2,71 5.8}
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{0 CHEMBL1969042,1 1,2 4.448,3 0.204,7 20.988,8 0.236,9 0.126,10 3.578,11 0.742,12 0.62,13 0.619,14 157.421,15 1.848,16 182.45,17 1.62,18 15.957,19 2,20 184.441,21 1.669,22 4,23 1.826,24 1.394,25 0.109,27 1.114,28 47.7,29 1.945,31 4.963,32 0.722,35 4.192,36 6,37 8.05,38 4.984,39 240.215,40 44,41 1.957,42 3,44 -0.027,45 0.6,46 1.181,47 0.698,48 12,49 1.031,50 9.37,51 4.76,52 3.784,53 23,54 4.585,55 3.786,56 4,57 3.577,58 1.181,60 51.337,61 2.535,62 4.845,63 51.337,64 0.679,65 6.859,66 11.505,67 1.363,68 1.066,69 1,70 1,71 5.8}
{0 CHEMBL1969049,2 4.047,3 -0.022,5 1,7 19.526,8 -0.066,9 0.012,10 4.527,11 1.038,12 0.606,13 0.635,14 217.284,15 1.725,16 192.587,17 1.702,18 15.446,20 243.814,21 1.692,22 3,23 1.69,24 1.469,25 0.128,27 1.116,28 45.8,29 1.858,31 4.317,32 0.948,35 5.079,36 4,37 7.076,38 4.806,39 268.078,40 48,41 1.85,42 2,43 4,44 0.043,45 0.8,46 1.248,47 0.678,48 13,49 0.883,50 13.458,51 5.121,52 3.651,53 19,54 4.322,55 3.645,56 3,57 3.652,58 1.181,60 34.796,61 2.65,62 4.966,63 34.796,64 0.64,65 6.338,66 17.637,67 1.575,68 1.281,69 1,70 1,71 5.8}
{0 CHEMBL1969102,2 8.44,3 0.134,7 24.218,8 0.145,9 0.096,10 4.825,11 0.745,12 0.641,13 0.818,14 250.913,15 1.845,16 269.821,17 1.635,18 17.311,19 1,20 274.913,21 1.674,22 5,23 1.826,24 1.47,25 0.099,27 1.116,28 46.2,29 1.933,31 5.198,32 0.735,35 5.287,36 8,37 8.549,38 5.239,39 296.423,40 52,41 1.891,42 6,43 1,44 0.036,45 0.6,46 1.38,47 0.721,48 8,49 1.056,50 11.158,51 5.417,52 3.801,53 28,54 4.858,55 3.802,56 4,57 3.702,58 1.275,59 137.76,60 119.03,61 2.656,62 5.017,63 119.03,64 0.687,65 7.305,66 16.498,67 2.042,68 1.396,69 2,70 2,71 7.1}
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{0 CHEMBL1969151,1 1,2 13.424,3 -0.071,4 1,5 3,7 29.192,8 -0.276,9 -0.006,10 4.466,11 1.072,12 0.692,13 0.78,14 218.856,15 1.723,16 176.933,17 1.738,18 17.604,19 1,20 229.611,21 1.723,22 4,23 1.679,24 1.465,25 0.111,26 2.315,27 1.136,28 38.8,29 1.888,30 4,31 4.844,32 0.973,34 4.606,35 4.686,36 7,37 7.844,38 4.843,39 275.121,40 49,41 1.8,42 6,43 8,44 0.037,45 0.8,46 1.417,47 0.668,48 11,49 0.929,50 12.17,51 4.849,52 3.627,53 16,54 4.087,55 3.611,56 3,57 3.632,58 1.376,59 102.364,60 88.277,61 2.49,62 5.195,63 88.277,64 0.626,65 6.8,66 21.087,67 1.483,68 1.325,69 3,70 3,71 5.9}
{0 CHEMBL1969156,2 8.436,3 -0.011,7 2.5,8 -0.166,9 0.03,10 3.69,11 0.907,12 0.688,13 0.431,14 95.947,15 1.309,16 152.264,17 1.238,18 3.162,19 1,20 109.457,21 1.245,22 3,23 1.252,24 0.941,25 0.18,27 1.125,28 46.2,29 1.506,31 4.143,32 0.791,35 4.21,36 4,37 7.387,38 4.66,39 122.211,40 26,41 1.432,42 4,44 0.038,45 0.6,46 0.837,47 0.704,48 6,49 0.429,50 4.322,51 4.316,52 3.102,53 16,54 4.087,55 3.08,56 2,57 2.931,58 0.565,59 51.981,60 67.755,61 1.858,62 4.21,63 67.755,64 0.679,65 6.601,66 7.548,67 0.749,68 0.819,69 2,70 2,71 4.8}
{0 CHEMBL1969190,2 3.804,3 0.062,7 30.042,8 0.026,9 0.07,10 4.349,11 0.898,12 0.658,13 0.816,14 200.045,15 1.772,16 234.068,17 1.594,18 22.454,20 224.574,21 1.642,22 4,23 1.751,24 1.315,25 0.108,27 1.135,28 45.7,29 1.88,31 4.905,32 0.78,35 4.882,36 9,37 8.047,38 5.11,39 254.084,40 46,41 1.867,42 4,43 1,44 0.009,45 0.4,46 1.181,47 0.687,48 12,49 0.975,50 8.966,51 5.029,52 3.756,53 23,54 4.585,55 3.748,56 3,57 3.687,58 1.089,59 132.843,60 118.436,61 2.64,62 4.87,63 88.515,64 0.689,65 7.006,66 11.992,67 2.235,68 1.205,69 1,70 1,71 5.8}
{0 CHEMBL1969264,2 9.372,3 0.014,7 18.192,8 -0.082,9 0.039,10 4.037,11 0.966,12 0.656,13 0.638,14 169.542,15 1.731,16 181.932,17 1.676,18 9.101,19 1,20 191.193,21 1.691,22 4,23 1.669,24 1.523,25 0.134,27 1.122,28 45.2,29 1.939,31 5.226,32 0.874,35 4.552,36 5,37 9.196,38 5.089,39 226.477,40 42,41 1.962,42 4,43 4,44 0.046,45 0.8,46 1.247,47 0.686,48 7,49 1.1,50 8.369,51 4.6,52 3.586,53 21,54 4.459,55 3.589,56 1,57 3.853,58 1.226,59 128.9,60 68.367,61 2.828,62 5.008,63 68.367,64 0.654,65 7.703,66 15.089,67 1.483,68 1.239,69 2,70 2,71 5.8}
{0 CHEMBL1969301,2 4.717,3 -0.053,5 1,7 26.047,8 -0.184,9 -0.004,10 4.619,11 1.146,12 0.64,13 0.961,14 300.235,15 1.87,16 215.608,17 1.907,18 23.435,19 1,20 348.434,21 1.889,22 4,23 1.822,24 1.706,25 0.11,26 1.742,27 1.128,28 41.5,29 2.002,30 8,31 5.142,32 1.025,33 1,34 8.034,35 5.361,36 7,37 7.881,38 5.074,39 391.454,40 65,41 2.008,42 5,43 11,44 0.053,45 0.8,46 1.513,47 0.659,48 12,49 1.124,50 18.42,51 5.445,52 3.762,53 19,54 4.322,55 3.771,56 3,57 3.841,58 1.473,59 150.222,60 70.879,61 2.839,62 5.411,63 70.879,64 0.621,65 6.989,66 26.506,67 2.107,68 1.431,69 1,70 1,71 5.8}
{0 CHEMBL1969372,1 1,2 17.659,3 -0.151,4 1,7 14.194,8 -0.285,9 -0.043,10 4.798,11 1.133,12 0.704,13 0.778,14 211.096,15 1.717,16 211.783,17 1.755,18 11,19 1,20 223.46,21 1.757,22 4,23 1.664,24 1.508,25 0.111,27 1.137,28 43.2,29 1.905,30 2,31 5.147,32 0.926,33 2,34 1.15,35 5.079,36 8,37 8.499,38 5.035,39 240.215,40 44,41 1.841,42 6,43 3,44 0.057,45 0.6,46 1.181,47 0.682,48 12,49 0.981,50 9.64,51 5.079,52 3.633,53 22,54 4.524,55 3.604,56 3,57 3.546,58 1.093,59 104.661,60 101.399,61 2.427,62 4.784,63 86.439,64 0.668,65 7.28,66 14.881,67 1.548,68 1.091,69 4,70 4,71 5.8}
{0 CHEMBL1969483,1 1,2 14.493,3 -0.053,4 1,5 2,7 56.661,8 -0.235,9 -0.005,10 5.017,11 1.005,12 0.685,13 1.249,14 401.384,15 1.904,16 307.844,17 1.935,18 34.83,19 2,20 447.49,21 1.954,22 7,23 1.876,24 1.778,25 0.07,26 4.308,27 1.122,28 43.8,29 2.003,30 5,31 5.677,32 0.908,33 4,34 3.476,35 5.594,36 11,37 8.938,38 5.49,39 505.754,40 80,41 2.011,42 8,43 7,44 0.076,45 0.7,46 1.592,47 0.694,48 27,49 1.146,50 23.602,51 5.728,52 3.852,53 34,54 5.129,55 3.85,56 6,57 3.852,58 1.575,60 93.913,61 2.758,62 5.527,63 93.913,64 0.658,65 7.584,66 31.88,67 2.484,68 1.686,69 3,70 3,71 5.6}
{0 CHEMBL1969502,3 0.105,5 1,7 18.934,8 0.139,9 0.086,10 4.668,11 0.823,12 0.654,13 0.645,14 196.071,15 1.567,16 182.75,17 1.605,18 17.303,19 1,20 213.722,21 1.648,22 5,23 1.519,24 1.399,25 0.127,27 1.117,28 47.6,29 1.741,30 1,31 5.1,32 0.763,34 0.853,35 5.089,36 6,37 7.905,38 4.984,39 226.477,40 42,41 1.687,42 4,43 3,44 0.033,45 0.6,46 1.189,47 0.702,48 7,49 0.847,50 7.948,51 5.154,52 3.628,53 19,54 4.322,55 3.632,56 3,57 3.507,58 1.181,59 80.661,60 69.348,61 2.483,62 4.872,63 69.348,64 0.683,65 6.993,66 12.407,67 1.811,68 1.206,71 7.8}
{0 CHEMBL1969506,1 1,2 4.084,3 -0.034,7 40.052,8 -0.016,9 0.046,10 4.704,11 1.179,12 0.643,13 0.907,14 272.827,15 1.79,16 224.468,17 1.892,18 27.998,19 1,20 290.479,21 1.885,22 4,23 1.786,24 1.696,25 0.123,27 1.128,28 39.7,29 1.925,30 1,31 5.075,32 0.901,33 1,34 0.187,35 5.008,36 12,37 7.993,38 5.175,39 339.763,40 58,41 1.945,42 5,43 5,44 0.157,45 0.5,46 1.417,47 0.677,48 9,49 1.117,50 10.339,51 5.043,52 3.796,53 22,54 4.524,55 3.773,56 3,57 4.161,58 1.417,59 160.073,60 85.753,61 3.001,62 5.266,63 85.753,64 0.661,65 6.922,66 21.527,67 2.547,68 1.363,69 1,70 1,71 5.8}
{0 CHEMBL1969523,1 1,2 8.565,3 -0.003,4 1,5 1,7 45.402,8 -0.157,9 0.018,10 4.405,11 1.113,12 0.643,13 0.791,14 233.441,15 1.764,16 201.39,17 1.791,18 26.523,19 1,20 256.786,21 1.811,22 3,23 1.716,24 1.64,25 0.121,27 1.133,28 39.6,29 1.921,31 4.543,32 0.997,35 4.845,36 7,37 7.571,38 4.824,39 303.58,40 53,41 1.866,42 5,43 7,44 0.018,45 1,46 1.417,47 0.652,48 6,49 0.933,50 10.676,51 4.92,52 3.658,53 15,54 4,55 3.656,56 3,57 3.718,58 1.417,60 85.153,61 2.645,62 5.247,63 85.153,64 0.619,65 6.433,66 19.908,67 1.74,68 1.239,69 2,70 2,71 5.8}
{0 CHEMBL1969537,2 16.641,3 -0.121,7 4.228,8 -0.083,9 -0.071,10 4.164,11 0.867,12 0.725,13 0.554,14 116.606,15 1.515,16 88.65,17 1.482,18 8.037,19 2,20 124.606,21 1.514,22 5,23 1.469,24 1.293,25 0.164,27 1.113,28 39.3,29 1.615,30 3,31 5.529,32 0.761,34 3.433,35 4.45,36 9,37 9.174,38 5.176,39 134.606,40 28,41 1.557,42 6,43 3,44 -0.155,45 0.4,46 0.732,47 0.812,49 0.928,50 3.058,51 4.593,52 3.405,53 18,54 4.248,55 3.414,56 1,57 3.662,58 0.533,59 109.966,60 69.225,61 2.454,62 4.323,63 69.225,64 0.758,65 7.923,66 5.295,67 1.144,68 0.763,69 4,70 4,71 5.8}
{0 CHEMBL1969561,2 12.75,3 -0.029,5 2,7 25.201,8 0.034,9 -0.007,10 4.543,11 1.053,12 0.634,13 0.802,14 227.173,15 1.709,16 205.747,17 1.685,18 16.518,19 2,20 247.173,21 1.702,22 4,23 1.65,24 1.485,25 0.121,26 1.708,27 1.13,28 42,29 1.926,30 1,31 5.037,32 0.95,33 1,34 0.481,35 4.943,36 7,37 8.199,38 5.043,39 282.193,40 50,41 1.939,42 6,43 5,44 0.074,45 0.8,46 1.417,47 0.672,48 14,49 1.131,50 9.824,51 4.999,52 3.687,53 22,54 4.524,55 3.656,56 3,57 3.652,58 1.342,59 113.497,60 71.43,61 2.575,62 5.117,63 71.43,64 0.641,65 7.004,66 18.696,67 1.534,68 1.397,69 3,70 3,71 5.8}
{0 CHEMBL1969588,1 1,2 8.696,3 0.02,5 1,7 17.755,8 -0.071,9 0.038,10 4.329,11 0.808,12 0.656,13 0.569,14 168.846,15 1.773,16 193.099,17 1.625,18 11.313,19 1,20 193.376,21 1.637,22 4,23 1.734,24 1.405,25 0.119,27 1.114,28 48.7,29 1.911,30 1,31 4.7,32 0.766,33 1,34 0.697,35 4.958,36 5,37 7.925,38 4.939,39 206.131,40 39,41 1.859,42 4,43 1,44 0.016,45 0.6,46 1.159,47 0.729,48 11,49 0.907,50 7.918,51 5.029,52 3.699,53 22,54 4.524,55 3.69,56 3,57 3.5,58 1.046,59 90.944,60 68.367,61 2.476,62 4.668,63 68.367,64 0.694,65 6.832,66 11.333,67 1.46,68 1.062,69 2,70 2,71 7.5}
{0 CHEMBL1969664,2 4.532,3 -0.018,5 2,7 18.276,8 -0.141,9 0.024,10 4.645,11 1.022,12 0.67,13 0.644,14 199.72,15 1.679,16 173.318,17 1.627,18 16.484,19 1,20 211.329,21 1.659,22 4,23 1.624,24 1.432,25 0.145,26 2.336,27 1.124,28 44.2,29 1.889,30 5,31 4.868,32 0.886,33 5,34 4.255,35 4.915,36 6,37 8.077,38 4.912,39 233.329,40 43,41 1.869,42 4,43 5,44 0.041,45 0.8,46 1.193,47 0.681,48 15,49 1.014,50 9.38,51 4.915,52 3.54,53 17,54 4.17,55 3.526,56 3,57 3.499,58 1.078,59 101.386,60 67.755,61 2.45,62 4.954,63 67.755,64 0.656,65 7.07,66 15.957,67 1.983,68 1.251,69 1,70 1,71 5.7}
{0 CHEMBL1969755,2 3.934,3 0.056,7 9.598,8 0.002,9 0.049,10 4.292,11 0.939,12 0.606,13 0.668,14 193.159,15 1.719,16 176.756,17 1.757,18 10.264,20 222.379,21 1.751,22 3,23 1.686,24 1.557,25 0.129,27 1.122,28 46.7,29 1.859,30 2,31 4.317,32 0.877,33 1,34 0.247,35 4.942,36 5,37 6.963,38 4.751,39 247.133,40 45,41 1.836,42 2,43 3,44 0.007,45 0.6,46 1.181,47 0.682,48 13,49 0.964,50 10.485,51 5.047,52 3.652,53 19,54 4.322,55 3.642,56 3,57 3.605,58 1.181,60 49.756,61 2.591,62 4.932,63 34.796,64 0.658,65 6.249,66 14.574,67 1.528,68 1.068,69 1,70 1,71 5.8}
{0 CHEMBL1969843,2 12.592,3 -0.023,5 3,7 5.988,8 0.12,9 0.007,10 4.544,11 1.088,12 0.655,13 0.624,14 172.666,15 1.434,16 141.849,17 1.594,18 9.057,19 2,20 177.421,21 1.643,22 4,23 1.378,24 1.31,25 0.127,27 1.137,28 39.5,29 1.675,30 5,31 4.564,32 0.956,33 3,34 4.864,35 4.669,36 6,37 7.579,38 4.707,39 199.421,40 38,41 1.612,42 5,43 6,44 0.095,45 0.8,46 1.129,47 0.659,48 9,49 0.825,50 5.71,51 4.669,52 3.549,53 15,54 4,55 3.521,56 3,57 3.515,58 1.05,59 81.465,60 68.306,61 2.486,62 4.858,63 68.306,64 0.631,65 6.642,66 15.629,67 1.2,68 1.178,69 3,70 3,71 5.8}
{0 CHEMBL1969879,2 8.635,3 -0.132,5 2,7 21.865,8 -0.413,9 -0.035,10 4.926,11 1.315,12 0.705,13 0.668,14 211.82,15 1.468,16 119.036,17 1.678,18 16.238,19 1,20 215.82,21 1.684,22 3,23 1.4,24 1.433,25 0.156,26 3.857,27 1.145,28 34.9,29 1.705,30 4,31 4.431,32 1.1,33 3,34 1.795,35 5.019,36 7,37 6.491,38 4.576,39 233.329,40 43,41 1.66,42 5,43 8,44 0.051,45 1,46 1.416,47 0.629,48 11,49 0.813,50 13.687,51 5.019,52 3.326,53 11,54 3.585,55 3.294,56 2,57 3.568,58 1.09,59 83.292,60 56.605,61 2.505,62 5.104,63 56.605,64 0.599,65 6.156,66 18.976,67 1.425,68 1.281,69 2,70 2,71 6.5}
{0 CHEMBL1969942,2 4.191,3 0.085,7 20.279,8 0.08,9 0.071,10 4.002,11 0.817,12 0.635,13 0.684,14 164.096,15 1.787,16 212.632,17 1.649,18 13.35,19 1,20 202.15,21 1.697,22 4,23 1.76,24 1.362,25 0.123,27 1.123,28 48.8,29 1.883,31 4.635,32 0.759,35 4.93,36 6,37 7.864,38 4.958,39 219.66,40 41,41 1.891,42 4,44 0.018,45 0.4,46 1.141,47 0.707,48 11,49 0.996,50 6.889,51 5.162,52 3.781,53 23,54 4.585,55 3.778,56 3,57 3.653,58 1.114,59 118.03,60 84.308,61 2.596,62 4.726,63 69.348,64 0.691,65 6.79,66 10.556,67 1.531,68 1.068,69 1,70 1,71 5.6}
{0 CHEMBL1970074,2 4.262,3 0.069,7 25.872,8 0.034,9 0.064,10 4.17,11 0.88,12 0.633,13 0.92,14 195.992,15 1.782,16 216.991,17 1.751,18 18.603,19 1,20 232.046,21 1.771,22 4,23 1.754,24 1.497,25 0.135,27 1.139,28 46.8,29 1.885,31 4.796,32 0.803,35 4.937,36 8,37 7.898,38 5.078,39 261.066,40 47,41 1.894,42 4,43 2,44 0.009,45 0.6,46 1.204,47 0.689,48 11,49 0.997,50 10.147,51 5.182,52 3.768,53 23,54 4.585,55 3.765,56 3,57 3.688,58 1.181,59 136.543,60 114.228,61 2.638,62 4.985,63 69.348,64 0.684,65 6.949,66 13.763,67 1.844,68 1.283,69 1,70 1,71 5.8}
{0 CHEMBL1970083,2 8.416,3 0.097,7 24.778,8 0.007,9 0.086,10 4.754,11 0.772,12 0.649,13 1.11,14 256.725,15 1.884,16 270.812,17 1.811,18 19.296,20 286.009,21 1.823,22 5,23 1.862,24 1.675,25 0.109,27 1.135,28 48.1,29 1.975,31 5.278,32 0.722,35 5.296,36 11,37 8.649,38 5.332,39 310.764,40 54,41 1.965,42 5,43 1,44 0.007,45 0.3,46 1.192,47 0.722,48 9,49 1.082,50 10.051,51 5.334,52 3.811,53 29,54 4.907,55 3.811,56 4,57 3.824,58 1.181,59 165.922,60 162.33,61 2.808,62 5.097,63 102.49,64 0.718,65 7.395,66 12.772,67 2.047,68 1.353,69 2,70 2,71 7.7}
{0 CHEMBL1970104,2 9.09,3 0.052,7 5.882,8 0.066,9 0.052,10 3.949,11 0.929,12 0.636,13 0.617,14 157.941,15 1.623,16 176.982,17 1.727,18 6.063,19 2,20 177.593,21 1.748,22 4,23 1.565,24 1.513,25 0.142,27 1.122,28 45,29 1.816,31 4.977,32 0.874,35 4.44,36 4,37 8.552,38 5.007,39 212.877,40 40,41 1.835,42 4,43 4,44 0.061,45 0.8,46 1.262,47 0.684,48 7,49 0.967,50 7.235,51 4.49,52 3.569,53 20,54 4.392,55 3.571,56 2,57 3.82,58 1.115,59 154.479,60 66.897,61 2.757,62 4.993,63 66.897,64 0.644,65 7.278,66 14.975,67 1.367,68 1.239,69 2,70 2,71 7.3}
{0 CHEMBL1970142,2 8.833,3 0.074,7 33.219,8 0.03,9 0.059,10 5.095,11 0.869,12 0.645,13 1.024,14 331.189,15 1.847,16 294.871,17 1.903,18 26.286,19 1,20 349.189,21 1.917,22 5,23 1.828,24 1.685,25 0.089,27 1.123,28 43.1,29 1.944,31 5.389,32 0.834,35 5.372,36 10,37 8.755,38 5.338,39 391.454,40 65,41 1.904,42 7,43 4,44 0.044,45 0.5,46 1.533,47 0.696,48 12,49 1.082,50 14.597,51 5.495,52 3.817,53 29,54 4.907,55 3.811,56 4,57 3.76,58 1.366,59 170.896,60 122.155,61 2.728,62 5.296,63 122.155,64 0.662,65 7.424,66 23.501,67 2.29,68 1.532,69 2,70 2,71 5.8}
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{0 CHEMBL1970352,3 0.007,7 11.059,8 -0.048,9 0.026,10 4.424,11 0.603,12 0.62,13 0.542,14 199.094,15 1.664,16 136.841,17 1.709,18 15.179,19 1,20 221.624,21 1.678,22 4,23 1.646,24 1.467,25 0.125,27 1.102,28 48.9,29 1.81,30 1,31 5.438,32 0.76,33 1,34 0.3,35 4.925,36 5,37 9.016,38 5.2,39 247.133,40 45,41 1.82,42 1,43 3,44 -0.001,45 0.6,46 1.211,47 0.753,48 11,49 0.951,50 14.627,51 5.058,52 3.666,53 22,54 4.524,55 3.696,56 2,57 3.664,58 1.181,59 78.267,60 1.899,61 2.584,62 4.855,63 1.899,64 0.694,65 7.744,66 11.497,67 1.811,68 1.24,71 5.6}
{0 CHEMBL1970522,3 0.068,5 1,7 15.157,8 -0.009,9 0.051,10 4.25,11 0.83,12 0.63,13 0.499,14 157.24,15 1.446,16 149.1,17 1.524,18 14.539,20 177.24,21 1.518,22 3,23 1.442,24 1.266,25 0.188,27 1.109,28 45.9,29 1.613,31 4.344,32 0.789,35 4.79,36 6,37 7.134,38 4.654,39 192.75,40 37,41 1.586,42 2,43 1,44 0.034,45 0.6,46 1.098,47 0.719,48 12,49 0.63,50 6.677,51 4.865,52 3.565,53 15,54 4,55 3.593,56 3,57 3.5,58 1.042,60 34.796,61 2.45,62 4.466,63 34.796,64 0.69,65 6.21,66 11.754,67 1.545,68 1.062,71 5.8}
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{0 CHEMBL1970903,2 8.639,3 0.071,5 1,7 9.41,8 0.106,9 0.07,10 4.997,11 0.906,12 0.642,13 0.805,14 264.825,15 1.746,16 245.69,17 1.826,18 11.017,19 2,20 290.825,21 1.825,22 5,23 1.715,24 1.669,25 0.093,27 1.121,28 45.3,29 1.905,30 2,31 4.927,32 0.84,33 1,34 1.165,35 5.487,36 6,37 7.958,38 5.209,39 303.58,40 53,41 1.893,42 5,43 4,44 0.047,45 0.6,46 1.286,47 0.686,48 11,49 1.071,50 13.071,51 5.525,52 3.735,53 26,54 4.755,55 3.719,56 3,57 3.777,58 1.232,59 255.999,60 99.794,61 2.739,62 5.142,63 99.794,64 0.652,65 7.117,66 19.038,67 1.596,68 1.29,69 2,70 2,71 5.8}
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{0 CHEMBL1971017,2 4.127,3 0.136,7 3.014,8 0.096,9 0.104,10 4.25,11 0.676,12 0.618,13 0.446,14 118.996,15 1.535,16 140.033,17 1.243,18 4.452,20 132.606,21 1.228,22 3,23 1.538,24 0.984,25 0.168,27 1.112,28 50,29 1.68,31 4.454,32 0.667,35 4.736,36 5,37 7.755,38 4.761,39 134.606,40 28,41 1.538,42 2,44 0.017,45 0.4,46 0.92,47 0.753,48 5,49 0.685,50 4.33,51 4.736,52 3.308,53 17,54 4.17,55 3.298,56 2,57 3.393,58 0.629,59 66.818,60 64.643,61 2.342,62 4.225,63 49.683,64 0.73,65 6.83,66 5.863,67 1.155,68 0.884,69 1,70 1,71 5.8}
{0 CHEMBL1971021,3 0.056,7 43.022,8 -0.001,9 0.061,10 4.31,11 0.93,12 0.633,13 0.958,14 224.119,15 1.778,16 203.627,17 1.63,18 28.774,20 254.648,21 1.659,22 4,23 1.755,24 1.366,25 0.128,27 1.136,28 46.2,29 1.876,30 1,31 5.037,32 0.845,33 1,34 0.167,35 4.897,36 8,37 7.715,38 5.029,39 296.423,40 52,41 1.878,42 3,43 4,44 0.007,45 0.6,46 1.286,47 0.68,48 11,49 1.016,50 13.543,51 5.118,52 3.769,53 20,54 4.392,55 3.763,56 3,57 3.787,58 1.204,59 138.647,60 98.913,61 2.756,62 5.131,63 54.032,64 0.671,65 6.78,66 17.4,67 2.147,68 1.421,71 5.8}
{0 CHEMBL1971029,1 2,2 8.907,3 -0.124,4 1,7 56.529,8 -0.326,9 -0.021,10 4.885,11 1.146,12 0.676,13 1.035,14 317.538,15 1.738,16 231.206,17 1.837,18 35.803,19 2,20 343.189,21 1.846,22 4,23 1.688,24 1.681,25 0.118,26 4.044,27 1.133,28 36.9,29 1.931,30 4,31 5.043,32 0.961,33 4,34 2.783,35 5.28,36 13,37 7.742,38 5.07,39 391.454,40 65,41 1.892,42 7,43 7,44 0.05,45 0.6,46 1.563,47 0.681,48 21,49 1.05,50 18.726,51 5.464,52 3.684,53 21,54 4.459,55 3.691,56 4,57 3.791,58 1.513,60 92.246,61 2.632,62 5.331,63 138.2,64 0.646,65 6.651,66 26.313,67 2.279,68 1.492,69 2,70 2,71 8.3}
{0 CHEMBL1971141,3 0.102,7 24.07,8 0.114,9 0.079,10 3.88,11 0.862,12 0.606,13 0.63,14 174.604,15 1.777,16 218.695,17 1.57,18 16.973,20 217.624,21 1.604,22 3,23 1.75,24 1.313,25 0.127,27 1.116,28 46.7,29 1.89,31 4.344,32 0.822,35 4.836,36 5,37 7.228,38 4.777,39 247.133,40 45,41 1.893,42 3,43 1,44 0.001,45 0.6,46 1.181,47 0.689,48 12,49 0.966,50 9.471,51 5.164,52 3.71,53 20,54 4.392,55 3.71,56 3,57 3.63,58 1.161,60 68.919,61 2.624,62 4.872,63 68.919,64 0.66,65 6.328,66 14.064,67 1.383,68 1.117,71 5.8}
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{0 CHEMBL1971947,2 8.483,3 0.098,5 1,7 25.957,8 0.06,9 0.075,10 4.709,11 0.753,12 0.629,13 0.789,14 263.728,15 1.875,16 306.294,17 1.891,18 21.7,20 301.702,21 1.896,22 5,23 1.853,24 1.779,25 0.091,27 1.106,28 50,29 1.968,31 5.176,32 0.736,35 5.388,36 7,37 8.801,38 5.318,39 325.212,40 56,41 1.957,42 5,43 1,44 0.036,45 0.4,46 1.346,47 0.736,48 10,49 1.015,50 11.415,51 5.544,52 3.807,53 30,54 4.954,55 3.807,56 4,57 3.665,58 1.243,59 155.504,60 102.49,61 2.635,62 5.029,63 102.49,64 0.7,65 7.398,66 16.846,67 2.136,68 1.381,69 2,70 2,71 6.3}
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{0 CHEMBL1972125,2 4.324,3 0.098,5 1,7 11.877,8 0.122,9 0.085,10 4.71,11 0.862,12 0.621,13 0.852,14 287.305,15 1.878,16 290.604,17 1.896,18 13.045,19 1,20 333.41,21 1.893,22 5,23 1.852,24 1.724,25 0.093,27 1.114,28 47.5,29 1.977,30 2,31 4.963,32 0.815,33 1,34 1.046,35 5.466,36 6,37 7.804,38 5.259,39 361.775,40 61,41 1.99,42 4,43 3,44 0.023,45 0.6,46 1.293,47 0.694,48 16,49 1.074,50 15.604,51 5.668,52 3.813,53 29,54 4.907,55 3.815,56 4,57 3.824,58 1.274,59 162.841,60 99.365,61 2.813,62 5.26,63 99.365,64 0.661,65 6.984,66 20.311,67 1.975,68 1.319,69 1,70 1,71 5.8}
{0 CHEMBL1972142,2 4.412,3 0.044,5 1,7 9.649,8 -0.005,9 0.051,10 4.153,11 0.864,12 0.63,13 0.58,14 174.424,15 1.765,16 197.756,17 1.686,18 7.745,19 1,20 208.477,21 1.692,22 4,23 1.738,24 1.464,25 0.127,27 1.11,28 50,29 1.876,30 1,31 4.615,32 0.806,33 1,34 0.515,35 4.964,36 4,37 7.889,38 4.955,39 226.477,40 42,41 1.854,42 3,43 1,44 0.036,45 0.6,46 1.195,47 0.71,48 13,49 0.952,50 8.426,51 5.154,52 3.802,53 23,54 4.585,55 3.803,56 3,57 3.56,58 1.181,59 101.42,60 51.582,61 2.539,62 4.776,63 51.582,64 0.678,65 6.809,66 12.958,67 1.406,68 1.155,69 1,70 1,71 6.3}
{0 CHEMBL1972158,2 13.191,3 0.114,5 2,7 16.058,8 0.262,9 0.072,10 3.907,11 0.793,12 0.625,13 0.741,14 179.713,15 1.872,16 248.615,17 1.695,18 11.544,19 2,20 217.819,21 1.747,22 5,23 1.846,24 1.42,25 0.103,27 1.119,28 47.8,29 1.962,30 1,31 5.215,32 0.767,33 1,34 0.647,35 4.735,36 6,37 8.564,38 5.173,39 254.084,40 46,41 1.981,42 6,43 1,44 0.053,45 0.6,46 1.181,47 0.709,48 15,49 1.071,50 10.199,51 5.089,52 3.811,53 27,54 4.807,55 3.819,56 4,57 3.542,58 1.181,59 109.427,60 101.203,61 2.526,62 4.937,63 101.203,64 0.68,65 7.252,66 13.756,67 1.442,68 1.116,69 3,70 3,71 5.9}
{0 CHEMBL1972183,2 4.323,3 -0.079,7 19.551,8 -0.191,9 -0.014,10 4.414,11 1.199,12 0.625,13 0.64,14 203.064,15 1.629,16 131.709,17 1.795,18 17.429,20 222.574,21 1.763,22 3,23 1.57,24 1.549,25 0.13,26 2.382,27 1.126,28 41.3,29 1.834,30 6,31 4.007,32 1.085,33 2,34 6.496,35 4.839,36 3,37 6.222,38 4.357,39 254.084,40 46,41 1.869,42 2,43 8,44 0.075,45 1,46 1.19,47 0.649,48 14,49 1.092,50 9.565,51 4.985,52 3.691,53 12,54 3.7,55 3.692,56 3,57 3.488,58 1.181,60 19.91,61 2.468,62 5.029,63 19.91,64 0.599,65 5.296,66 19.896,67 1.195,68 1.094,69 1,70 1,71 6.4}
{0 CHEMBL1972220,2 8.681,3 0.079,5 1,7 28.448,8 0.008,9 0.068,10 5.04,11 0.857,12 0.658,13 1.068,14 302.413,15 1.844,16 260.445,17 1.845,18 23.98,19 1,20 320.413,21 1.865,22 5,23 1.825,24 1.59,25 0.085,27 1.133,28 43.3,29 1.934,30 2,31 5.366,32 0.791,33 2,34 0.403,35 5.34,36 12,37 8.678,38 5.308,39 354.413,40 60,41 1.895,42 6,43 3,44 0.02,45 0.5,46 1.291,47 0.696,48 12,49 1.06,50 11.76,51 5.474,52 3.806,53 28,54 4.858,55 3.803,56 4,57 3.699,58 1.249,59 175.742,60 134.064,61 2.627,62 5.147,63 104.144,64 0.683,65 7.412,66 19.487,67 2.308,68 1.476,69 2,70 2,71 5.6}
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{0 CHEMBL1972249,1 1,3 0.125,7 17.376,8 0.114,9 0.089,10 3.793,11 0.778,12 0.613,13 0.381,14 117.58,15 1.493,16 125.449,17 1.229,18 12.596,20 137.58,21 1.269,22 3,23 1.465,24 1.033,25 0.169,27 1.103,28 51.6,29 1.634,31 4.357,32 0.731,35 4.438,36 4,37 6.903,38 4.644,39 153.58,40 31,41 1.62,42 1,44 -0.013,45 0.4,46 0.919,47 0.715,48 9,49 0.67,50 4.244,51 4.632,52 3.418,53 15,54 4,55 3.412,56 2,57 3.383,58 0.781,60 18.011,61 2.395,62 4.446,63 18.011,64 0.703,65 6.1,66 7.12,67 1.261,68 0.898,71 5.123}
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{0 CHEMBL1972346,3 0.269,7 5.133,8 0.279,9 0.157,10 3.365,11 0.738,12 0.583,13 0.352,14 100.942,15 1.315,16 82.181,17 1.149,18 7.232,20 122.452,21 1.192,22 2,23 1.286,24 0.883,25 0.16,27 1.111,28 46.7,29 1.473,31 3.526,32 0.729,35 4.082,36 4,37 6.88,38 4.431,39 147.207,40 30,41 1.484,44 -0.09,45 0.6,46 0.86,47 0.68,48 8,49 0.521,50 4.865,51 4.574,52 3.228,53 13,54 3.807,55 3.226,56 2,57 3.215,58 0.615,61 2.172,62 4.398,64 0.667,65 5.755,66 7.378,67 0.409,68 0.839,71 6.1}
{0 CHEMBL1972355,2 4.478,3 0.002,7 18.376,8 -0.057,9 0.041,10 4.64,11 0.96,12 0.667,13 0.52,14 176.302,15 1.577,16 143.988,17 1.543,18 13.686,19 1,20 187.911,21 1.547,22 4,23 1.549,24 1.282,25 0.136,27 1.114,28 47.4,29 1.743,31 5.1,32 0.808,35 4.945,36 6,37 8.359,38 5.001,39 199.421,40 38,41 1.745,42 2,43 2,44 0.025,45 0.4,46 1.127,47 0.695,48 9,49 0.836,50 7.585,51 4.998,52 3.475,53 18,54 4.248,55 3.468,56 2,57 3.639,58 1.032,59 80.592,60 33.571,61 2.602,62 4.66,63 33.571,64 0.686,65 7.14,66 11.626,67 1.532,68 1.133,69 1,70 1,71 5.7}
{0 CHEMBL1972362,2 4.173,3 0.053,7 4.836,8 0.105,9 0.097,10 4.312,11 0.941,12 0.614,13 0.483,14 146.609,15 1.538,16 139.653,17 1.675,18 5.977,20 156.219,21 1.628,22 3,23 1.544,24 1.498,25 0.216,27 1.104,28 44.1,29 1.681,31 4.644,32 0.753,35 4.595,36 7,37 8.089,38 4.882,39 172.974,40 34,41 1.576,42 2,43 1,44 0.14,45 0.4,46 1.075,47 0.749,48 8,49 0.78,50 6.556,51 4.595,52 3.536,53 19,54 4.322,55 3.608,56 2,57 3.661,58 0.868,59 86.276,60 49.683,61 2.577,62 4.485,63 49.683,64 0.712,65 7.006,66 12.502,67 1.322,68 1.035,69 1,70 1,71 5.8}
{0 CHEMBL1972365,2 8.502,3 -0.011,7 2.5,8 -0.166,9 0.03,10 3.767,11 0.907,12 0.688,13 0.431,14 97.947,15 1.352,16 152.264,17 1.304,18 3.162,19 1,20 109.457,21 1.332,22 3,23 1.306,24 0.974,25 0.171,27 1.125,28 46.2,29 1.516,31 4.19,32 0.791,35 4.21,36 4,37 7.464,38 4.616,39 122.211,40 26,41 1.484,42 4,44 0.038,45 0.6,46 0.897,47 0.704,48 6,49 0.534,50 3.431,51 4.316,52 3.191,53 16,54 4.087,55 3.173,56 2,57 3.075,58 0.582,59 53.925,60 67.755,61 2.003,62 4.171,63 67.755,64 0.679,65 6.626,66 7.564,67 0.495,68 0.827,69 2,70 2,71 4.9}
{0 CHEMBL1972576,2 8.077,3 0.102,7 32.993,8 0.004,9 0.082,10 4.34,11 0.798,12 0.658,13 0.77,14 208.304,15 1.805,16 250.243,17 1.633,18 24.83,20 225.814,21 1.666,22 4,23 1.778,24 1.472,25 0.11,27 1.121,28 43.8,29 1.928,31 4.673,32 0.757,35 4.704,36 9,37 7.388,38 5.059,39 268.078,40 48,41 1.839,42 6,43 1,44 0.024,45 0.4,46 1.181,47 0.712,48 8,49 0.949,50 6.478,51 5.069,52 3.815,53 24,54 4.644,55 3.818,56 3,57 3.618,58 1.181,59 141.027,60 120.5,61 2.58,62 4.933,63 120.5,64 0.686,65 6.646,66 15.017,67 2.087,68 1.282,69 2,70 2,71 5.8}
{0 CHEMBL1972584,2 13.966,3 -0.052,5 1,7 40.174,8 -0.187,9 0.007,10 5.006,11 1.115,12 0.688,13 1.308,14 405.489,15 1.918,16 272.952,17 1.97,18 33.225,19 2,20 444.018,21 1.984,22 7,23 1.864,24 1.774,25 0.073,26 4.484,27 1.132,28 40.7,29 2.024,30 8,31 5.694,32 0.974,33 4,34 7.639,35 5.482,36 11,37 8.563,38 5.472,39 513.528,40 81,41 2.021,42 9,43 12,44 0.072,45 0.6,46 1.665,47 0.662,48 22,49 1.153,50 25.446,51 5.605,52 3.79,53 28,54 4.858,55 3.791,56 5,57 3.865,58 1.513,59 406.52,60 111.066,61 2.772,62 5.72,63 111.066,64 0.63,65 7.496,66 33.459,67 2.327,68 1.649,69 3,70 3,71 5.8}
{0 CHEMBL1972659,3 0.103,7 17.39,8 0.172,9 0.071,10 4.496,11 0.897,12 0.593,13 0.655,14 220.327,15 1.577,16 164.15,17 1.706,18 16.025,20 248.856,21 1.689,22 4,23 1.533,24 1.535,25 0.121,27 1.114,28 46.9,29 1.762,30 4,31 4.644,32 0.871,34 3.013,35 5.079,36 4,37 7.068,38 4.965,39 275.121,40 49,41 1.782,42 2,43 5,44 0.03,45 0.8,46 1.339,47 0.684,48 9,49 0.985,50 12.121,51 5.354,52 3.475,53 19,54 4.322,55 3.468,56 2,57 3.545,58 1.201,60 34.551,61 2.504,62 5.04,63 34.551,64 0.648,65 6.61,66 17.608,67 1.618,68 1.296,71 5.8}
{0 CHEMBL1972840,2 8.532,3 0.075,5 1,7 7.94,8 0.032,9 0.068,10 4.846,11 0.814,12 0.647,13 0.71,14 237.469,15 1.84,16 222.96,17 1.866,18 8.592,19 1,20 267.121,21 1.86,22 5,23 1.823,24 1.683,25 0.096,27 1.111,28 46.9,29 1.946,30 2,31 4.875,32 0.786,33 1,34 1.182,35 5.451,36 6,37 7.881,38 5.172,39 275.121,40 49,41 1.905,42 4,43 3,44 0.057,45 0.6,46 1.28,47 0.719,48 10,49 1.045,50 11.358,51 5.492,52 3.718,53 26,54 4.755,55 3.707,56 3,57 3.647,58 1.132,59 245.443,60 83.254,61 2.578,62 4.993,63 83.254,64 0.678,65 7.066,66 17.113,67 1.546,68 1.246,69 2,70 2,71 5.8}
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{0 CHEMBL1972937,3 0.024,5 1,7 15.016,8 -0.048,9 0.025,10 3.968,11 0.853,12 0.625,13 0.479,14 142.833,15 1.45,16 158.576,17 1.524,18 13.776,20 167.362,21 1.518,22 3,23 1.442,24 1.266,25 0.195,27 1.106,28 47.2,29 1.614,31 4.248,32 0.814,35 4.649,36 5,37 7.068,38 4.595,39 186.117,40 36,41 1.587,42 2,43 1,44 0.056,45 0.6,46 1.1,47 0.726,48 13,49 0.644,50 6.303,51 4.816,52 3.563,53 15,54 4,55 3.594,56 3,57 3.481,58 1.052,60 34.796,61 2.436,62 4.402,63 34.796,64 0.689,65 6.138,66 12.127,67 1.309,68 1.062,71 5.8}
{0 CHEMBL1973013,1 2,2 12.852,3 -0.004,4 1,7 38.794,8 -0.271,9 -0.01,10 4.242,11 0.8,12 0.667,13 0.53,14 135.735,15 1.532,16 140.09,17 1.446,18 21.369,19 1,20 137.735,21 1.453,22 2,23 1.499,24 1.241,25 0.168,27 1.135,28 34.4,29 1.701,31 3.761,32 0.867,35 4.304,36 7,37 6.17,38 4.292,39 160,40 32,41 1.715,42 5,43 4,44 0.003,45 0.8,46 1.012,47 0.714,48 1,49 0.791,50 6.029,51 4.304,52 3.427,53 11,54 3.585,55 3.446,56 2,57 3.286,58 0.582,60 86.378,61 2.136,62 4.441,63 132.332,64 0.655,65 5.559,66 12.276,67 0.704,68 1.031,69 3,70 3,71 5.6}
{0 CHEMBL1973098,3 0.086,5 1,7 8.549,8 0.058,9 0.068,10 4.335,11 0.667,12 0.618,13 0.336,14 112.702,15 1.254,16 81.483,17 1.37,18 10.189,20 117.457,21 1.326,22 2,23 1.259,24 1.182,25 0.27,27 1.101,28 42.3,29 1.518,31 3.714,32 0.699,35 4.518,36 6,37 5.973,38 4.252,39 122.211,40 26,41 1.484,42 1,43 1,44 -0.004,45 0.4,46 0.516,47 0.758,48 7,49 0.555,50 4.031,51 4.518,52 3.05,53 9,54 3.322,55 3.102,56 2,57 3.164,58 0.438,60 18.011,61 2.108,62 4.058,63 18.011,64 0.717,65 5.641,66 9.855,67 0.941,68 0.652,71 5.8}
{0 CHEMBL1973122,3 0.001,7 12.373,8 -0.134,9 0.003,10 4.112,11 0.801,12 0.631,13 0.446,14 139.812,15 1.474,16 121.817,17 1.563,18 11.695,20 155.464,21 1.54,22 3,23 1.445,24 1.398,25 0.198,26 1.969,27 1.105,28 47.1,29 1.649,30 2,31 4.344,32 0.797,33 2,34 0.589,35 4.572,36 5,37 6.97,38 4.64,39 172.974,40 34,41 1.604,42 2,43 2,44 0.035,45 0.6,46 0.948,47 0.751,48 11,49 0.73,50 8.07,51 4.97,52 3.389,53 14,54 3.907,55 3.401,56 2,57 3.249,58 0.935,60 19.91,61 2.2,62 4.491,63 19.91,64 0.704,65 6.349,66 13.393,67 1.618,68 0.959,71 5.985}
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{0 CHEMBL1973860,1 1,2 4.317,3 0.111,7 11.409,8 0.04,9 0.074,10 4.511,11 0.779,12 0.618,13 0.457,14 148.855,15 1.467,16 122.474,17 1.443,18 7.215,20 162.465,21 1.398,22 3,23 1.413,24 1.32,25 0.144,27 1.11,28 45.5,29 1.632,30 2,31 4.407,32 0.793,33 2,34 0.622,35 4.923,36 4,37 7.634,38 4.665,39 166.465,40 33,41 1.647,42 2,43 2,44 0.045,45 0.6,46 1.066,47 0.718,48 9,49 0.776,50 6.721,51 4.923,52 3.39,53 16,54 4.087,55 3.387,56 2,57 3.223,58 0.858,60 34.796,61 2.146,62 4.449,63 34.796,64 0.67,65 6.723,66 12.882,67 0.818,68 1.07,69 1,70 1,71 6.1}
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{0 CHEMBL1976328,2 4.245,3 0.069,7 29.077,8 0.052,9 0.078,10 4.137,11 0.829,12 0.616,13 0.708,14 198.594,15 1.779,16 224.486,17 1.564,18 19.736,20 227.814,21 1.596,22 4,23 1.755,24 1.321,25 0.115,27 1.113,28 45.8,29 1.877,31 4.779,32 0.792,35 4.746,36 6,37 7.892,38 5.049,39 268.078,40 48,41 1.876,42 4,43 2,44 0.058,45 0.6,46 1.282,47 0.713,48 10,49 0.99,50 13.245,51 4.887,52 3.768,53 23,54 4.585,55 3.784,56 3,57 3.65,58 1.181,59 123.892,60 83.895,61 2.602,62 4.977,63 83.895,64 0.671,65 6.875,66 15.989,67 1.983,68 1.26,69 1,70 1,71 5.8}
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{0 CHEMBL1976420,2 8.756,3 0.03,7 11.206,8 -0.073,9 0.039,10 4.109,11 1.027,12 0.631,13 0.583,14 164.348,15 1.628,16 151.539,17 1.695,18 9.966,19 1,20 178.612,21 1.662,22 3,23 1.576,24 1.469,25 0.161,27 1.126,28 42.5,29 1.824,30 1,31 4.595,32 0.95,34 0.89,35 4.465,36 4,37 7.856,38 4.799,39 212.877,40 40,41 1.813,42 3,43 5,44 0.031,45 0.8,46 1.188,47 0.664,48 4,49 0.894,50 10.593,51 4.515,52 3.391,53 16,54 4.087,55 3.391,56 2,57 3.536,58 1.181,59 83.199,60 50.357,61 2.497,62 4.854,63 50.357,64 0.625,65 6.853,66 15.467,67 1,68 1.111,69 2,70 2,71 6.2}
{0 CHEMBL1976455,2 11.662,3 -0.053,7 22.484,8 -0.151,9 0.009,10 4.359,11 0.997,12 0.688,13 0.778,14 148.219,15 1.514,16 185.495,17 1.49,18 16.178,20 166.219,21 1.548,22 3,23 1.478,24 1.228,25 0.172,27 1.158,28 44.1,29 1.676,31 4.466,32 0.821,35 4.889,36 9,37 7.221,38 4.777,39 172.974,40 34,41 1.637,42 5,43 1,44 -0.003,45 0.4,46 0.975,47 0.687,48 4,49 0.694,50 4.256,51 4.948,52 3.451,53 18,54 4.248,55 3.433,56 2,57 3.557,58 0.8,60 131.258,61 2.455,62 4.56,63 86.378,64 0.708,65 6.591,66 7.185,67 1.404,68 0.991,69 3,70 3,71 5.8}
{0 CHEMBL1976872,2 4.138,3 -0.073,7 9.759,8 -0.106,9 -0.024,10 3.88,11 1.055,12 0.654,13 0.356,14 85.353,15 1.285,16 100.792,17 1.168,18 6.839,19 1,20 93.353,21 1.173,22 2,23 1.231,24 0.924,25 0.253,27 1.134,28 40.9,29 1.498,31 3.332,32 0.91,35 4.243,36 4,37 5.55,38 4.232,39 98.107,40 22,41 1.496,42 3,43 1,44 0.049,45 0.6,46 0.34,47 0.671,48 4,49 0.551,50 2.586,51 4.243,52 3.153,53 11,54 3.585,55 3.152,56 1,57 2.792,58 0.294,59 44.582,60 35.838,61 1.776,62 3.883,63 35.838,64 0.653,65 5.967,66 7.164,67 -0.027,68 0.353,69 1,70 1,71 4.8}
{0 CHEMBL1977041,2 8.273,3 0.001,6 1,7 25.071,8 -0.034,9 0.033,10 4.48,11 0.985,12 0.661,13 0.802,14 228.5,15 1.77,16 250.91,17 1.75,18 20.575,19 1,20 249.029,21 1.771,22 4,23 1.711,24 1.603,25 0.11,27 1.128,28 43.1,29 1.956,31 5.088,32 0.851,35 4.883,36 9,37 8.175,38 5.154,39 289.294,40 51,41 1.852,42 6,43 2,44 0.029,45 0.6,46 1.276,47 0.681,48 12,49 0.941,50 11.057,51 5.094,52 3.75,53 24,54 4.644,55 3.742,56 3,57 3.583,58 1.181,59 136.571,60 103.531,61 2.515,62 5.014,63 103.531,64 0.666,65 7.193,66 16.358,67 1.664,68 1.267,69 2,70 2,71 5.8}
{0 CHEMBL1977134,2 8.993,3 0.011,5 3,7 34.742,8 -0.026,9 0.049,10 4.646,11 0.927,12 0.679,13 1.111,14 269.444,15 1.885,16 280.522,17 1.866,18 25.941,19 1,20 311.498,21 1.889,22 6,23 1.867,24 1.702,25 0.101,27 1.137,28 46.6,29 1.963,30 1,31 5.476,32 0.78,34 0.177,35 5.371,36 12,37 8.852,38 5.387,39 339.763,40 58,41 1.968,42 6,43 2,44 0.016,45 0.3,46 1.39,47 0.695,48 11,49 1.096,50 10.044,51 5.569,52 3.849,53 29,54 4.907,55 3.847,56 4,57 3.956,58 1.205,59 348.226,60 148.412,61 2.897,62 5.192,63 103.531,64 0.701,65 7.505,66 15.434,67 2.298,68 1.496,69 2,70 2,71 5.6}
{0 CHEMBL1977138,1 1,2 13.123,3 -0.074,5 1,7 27.189,8 -0.187,9 -0.012,10 4.668,11 0.985,12 0.676,13 0.741,14 196.071,15 1.738,16 244.236,17 1.669,18 20.6,19 1,20 217.722,21 1.656,22 4,23 1.688,24 1.442,25 0.135,27 1.129,28 47.6,29 1.893,31 4.844,32 0.844,35 5.184,36 7,37 8.16,38 5.067,39 226.477,40 42,41 1.825,42 6,43 2,44 0.043,45 0.4,46 1.146,47 0.709,48 8,49 0.851,50 8.18,51 5.279,52 3.648,53 23,54 4.585,55 3.622,56 3,57 3.598,58 1.097,59 105.872,60 116.286,61 2.51,62 4.835,63 101.326,64 0.694,65 7.049,66 11.631,67 1.601,68 1.105,69 3,70 3,71 7.2}
{0 CHEMBL1977223,2 12.76,3 0.026,5 2,7 24.041,8 0.129,9 0.023,10 4.671,11 0.978,12 0.63,13 0.761,14 219.556,15 1.68,16 208.052,17 1.682,18 16.433,19 2,20 239.556,21 1.711,22 4,23 1.622,24 1.458,25 0.12,27 1.13,28 42.6,29 1.895,30 3,31 4.905,32 0.897,33 1,34 1.946,35 5.097,36 7,37 8.146,38 4.978,39 261.066,40 47,41 1.932,42 6,43 4,44 0.061,45 0.6,46 1.326,47 0.677,48 10,49 1.145,50 8.743,51 5.156,52 3.615,53 22,54 4.524,55 3.581,56 3,57 3.549,58 1.181,59 112.253,60 86.317,61 2.529,62 4.931,63 86.317,64 0.65,65 6.988,66 16.479,67 1.355,68 1.359,69 3,70 3,71 6.2}
{0 CHEMBL1977346,1 1,2 7.934,3 0.035,7 26.983,8 0.078,9 0.055,10 3.768,11 0.469,12 0.662,13 0.402,14 90.429,15 1.13,16 133.691,17 1.22,18 16.723,19 1,20 102.039,21 1.211,22 3,23 1.086,24 1.013,25 0.191,27 1.115,28 45.8,29 1.378,31 4.382,32 0.579,35 4.252,36 6,37 7.119,38 4.477,39 110.039,40 24,41 1.273,42 4,44 -0.004,45 0.4,46 0.493,47 0.819,48 5,49 0.278,50 2.95,51 4.502,52 3.086,53 13,54 3.807,55 3.378,56 1,57 3.131,58 0.415,60 69.348,61 2.048,62 4.24,63 69.348,64 0.757,65 6.121,66 4.724,67 0.696,68 0.535,69 2,70 2,71 5.8}
{0 CHEMBL1977619,2 8.154,3 0.088,7 1.651,8 0.024,9 0.046,10 4.252,11 0.736,12 0.662,13 0.381,14 102.039,15 1.403,16 98.711,17 1.401,18 2.278,19 1,20 110.039,21 1.468,22 3,23 1.373,24 1.235,25 0.189,27 1.111,28 45.8,29 1.562,31 4.248,32 0.695,35 4.585,36 6,37 7.305,38 4.691,39 110.039,40 24,41 1.545,42 3,44 0.018,45 0.4,46 0.458,47 0.754,48 4,49 0.6,50 3.346,51 4.585,52 3.333,53 16,54 4.087,55 3.309,56 2,57 3.427,58 0.344,59 58.512,60 34.612,61 2.316,62 3.916,63 34.612,64 0.739,65 6.78,66 4.875,67 0.618,68 0.547,69 2,70 2,71 4.8}
{0 CHEMBL1977634,2 4.666,3 0.022,7 29.276,8 0.049,9 0.035,10 4.393,11 1.001,12 0.621,13 0.873,14 267.961,15 1.784,16 250.09,17 1.744,18 24.445,19 1,20 302.981,21 1.788,22 4,23 1.737,24 1.555,25 0.101,27 1.121,28 44.3,29 1.946,30 1,31 5.069,32 0.902,33 1,34 -0.229,35 4.967,36 8,37 7.799,38 5.185,39 361.775,40 61,41 1.989,42 4,43 5,44 0.032,45 0.6,46 1.417,47 0.676,48 14,49 1.087,50 12.941,51 5.188,52 3.72,53 25,54 4.7,55 3.719,56 3,57 3.921,58 1.417,60 69.348,61 2.835,62 5.331,63 69.348,64 0.651,65 7.012,66 21.122,67 2.175,68 1.424,69 1,70 1,71 5.6}
{0 CHEMBL1977681,2 4.12,3 0.119,7 3.854,8 0.104,9 0.081,10 4.225,11 0.735,12 0.632,13 0.522,14 122.517,15 1.471,16 131.131,17 1.527,18 5.985,19 1,20 134.127,21 1.549,22 3,23 1.469,24 1.282,25 0.17,27 1.125,28 44.8,29 1.61,31 4.443,32 0.725,35 4.625,36 6,37 7.66,38 4.771,39 140.881,40 29,41 1.616,42 3,43 1,44 0.03,45 0.4,46 0.896,47 0.728,48 8,49 0.713,50 4.707,51 4.694,52 3.308,53 16,54 4.087,55 3.274,56 2,57 3.445,58 0.712,60 66.297,61 2.386,62 4.245,63 51.337,64 0.705,65 6.825,66 8.195,67 1.093,68 0.912,69 1,70 1,71 5.8}
{0 CHEMBL1977749,3 0.082,7 19.07,8 0.118,9 0.049,10 4.038,11 0.863,12 0.595,13 0.436,14 145.362,15 1.561,16 149.112,17 1.544,18 14.769,20 165.362,21 1.539,22 3,23 1.515,24 1.388,25 0.163,27 1.106,28 50,29 1.728,30 1,31 4.605,32 0.83,34 0.698,35 4.593,36 3,37 7.292,38 4.659,39 186.117,40 36,41 1.767,42 1,43 1,44 0.035,45 0.6,46 1.093,47 0.701,48 12,49 0.815,50 8.151,51 4.837,52 3.447,53 15,54 4,55 3.453,56 2,57 3.392,58 0.9,60 13.247,61 2.365,62 4.605,63 13.247,64 0.671,65 6.459,66 10.81,67 1.248,68 1.062,71 5.6}
{0 CHEMBL1977931,2 8.459,3 -0.013,5 1,7 1.842,8 -0.117,9 0.02,10 4.156,11 0.926,12 0.653,13 0.43,14 120.517,15 1.463,16 142.779,17 1.616,18 2.428,19 1,20 130.127,21 1.596,22 3,23 1.394,24 1.381,25 0.179,27 1.116,28 48.3,29 1.676,31 4.248,32 0.82,35 4.487,36 4,37 7.535,38 4.735,39 140.881,40 29,41 1.661,42 3,43 1,44 0.038,45 0.6,46 1.021,47 0.707,48 5,49 0.687,50 6.35,51 4.694,52 3.241,53 17,54 4.17,55 3.236,56 2,57 3.147,58 0.484,59 58.488,60 50.357,61 2.132,62 4.266,63 50.357,64 0.686,65 6.699,66 8.574,67 1,68 0.971,69 2,70 2,71 4.3}
{0 CHEMBL1978014,2 12.932,3 -0.009,5 4,7 38.364,8 0.026,9 0.013,10 4.745,11 1.048,12 0.653,13 0.917,14 265.702,15 1.843,16 214.959,17 1.696,18 25.777,19 2,20 285.702,21 1.743,22 5,23 1.79,24 1.469,25 0.109,26 2.247,27 1.133,28 41.1,29 1.998,30 5,31 5.209,32 0.943,33 3,34 4.196,35 5.102,36 8,37 8.377,38 5.118,39 325.212,40 56,41 2.007,42 7,43 7,44 0.076,45 0.8,46 1.472,47 0.667,48 17,49 1.155,50 11.863,51 5.151,52 3.723,53 22,54 4.524,55 3.721,56 4,57 3.733,58 1.364,59 127.282,60 89.441,61 2.699,62 5.306,63 89.441,64 0.636,65 7.141,66 21.901,67 1.925,68 1.44,69 3,70 3,71 5.8}
{0 CHEMBL1978099,1 2,2 7.974,3 -0.064,4 1,5 5,7 45.182,8 -0.133,9 0.039,10 4.862,11 1.225,12 0.656,13 0.907,14 257.664,15 1.699,16 249.636,17 1.777,18 30.639,19 2,20 277.315,21 1.792,22 3,23 1.66,24 1.508,25 0.138,27 1.14,28 37.7,29 1.868,30 1,31 4.7,32 0.914,33 1,34 -0.12,35 5.232,36 12,37 7.581,38 4.925,39 303.58,40 53,41 1.76,42 6,43 3,44 0.151,45 0.6,46 1.277,47 0.67,48 12,49 0.797,50 9.046,51 5.284,52 3.657,53 21,54 4.459,55 3.639,56 3,57 3.602,58 1.181,60 133.855,61 2.523,62 5.006,63 118.895,64 0.656,65 6.475,66 19.501,67 2.064,68 1.429,69 2,70 2,71 7.7}
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{0 CHEMBL1978167,2 8.767,3 -0.036,7 3.176,8 -0.213,9 0.002,10 4.362,11 0.725,12 0.688,13 0.477,14 135.216,15 1.665,16 143.273,17 1.58,18 4.806,19 2,20 146.825,21 1.576,22 4,23 1.615,24 1.349,25 0.143,27 1.113,28 48.4,29 1.833,31 4.898,32 0.73,35 4.736,36 5,37 8.459,38 4.992,39 153.58,40 31,41 1.79,42 4,43 1,45 0.4,46 1.049,47 0.756,48 8,49 0.838,50 6.197,51 4.801,52 3.355,53 20,54 4.392,55 3.369,56 2,57 3.317,58 1.009,59 130.842,60 52.256,61 2.228,62 4.43,63 98.21,64 0.717,65 7.235,66 7.506,67 1.169,68 0.972,69 2,70 2,71 5.9}
{0 CHEMBL1978195,2 4.231,3 0.107,7 3.027,8 0.165,9 0.092,10 4.107,11 0.564,12 0.605,13 0.346,14 114.996,15 1.535,16 133.967,17 1.241,18 4.468,20 124.606,21 1.226,22 3,23 1.538,24 0.982,25 0.168,27 1.094,28 50,29 1.68,31 4.454,32 0.606,35 4.45,36 5,37 7.808,38 4.761,39 134.606,40 28,41 1.537,42 2,44 -0.006,45 0.4,46 0.837,47 0.804,48 5,49 0.685,50 4.579,51 4.45,52 3.313,53 17,54 4.17,55 3.314,56 2,57 3.369,58 0.616,59 68.146,60 49.683,61 2.293,62 4.201,63 95.637,64 0.753,65 6.83,66 1.49,67 1,68 0.848,69 1,70 1,71 5.6}
{0 CHEMBL1978200,1 1,2 17.653,3 -0.059,4 1,7 21.151,8 -0.187,9 -0.003,10 5.006,11 1.103,12 0.677,13 0.969,14 265.315,15 1.765,16 218.671,17 1.859,18 16.821,19 1,20 277.315,21 1.866,22 4,23 1.711,24 1.69,25 0.1,27 1.144,28 41.5,29 1.958,30 2,31 5.318,32 0.95,33 1,34 0.982,35 5.232,36 9,37 8.666,38 5.126,39 303.58,40 53,41 1.945,42 6,43 6,44 0.03,45 0.8,46 1.417,47 0.664,48 6,49 1.026,50 12.251,51 5.232,52 3.665,53 22,54 4.524,55 3.649,56 3,57 3.816,58 1.269,59 123.693,60 116.36,61 2.724,62 5.192,63 86.439,64 0.648,65 7.397,66 18.808,67 1.905,68 1.316,69 4,70 4,71 5.8}
{0 CHEMBL1978267,1 1,2 14.47,3 -0.054,4 1,5 2,7 52.625,8 -0.239,9 -0.006,10 4.902,11 0.994,12 0.689,13 1.209,14 377.417,15 1.885,16 305.309,17 1.933,18 31.934,19 2,20 423.523,21 1.946,22 7,23 1.86,24 1.777,25 0.07,26 4.295,27 1.121,28 44.2,29 1.983,30 4,31 5.677,32 0.893,33 4,34 3.186,35 5.5,36 11,37 8.969,38 5.502,39 482.543,40 77,41 1.995,42 8,43 6,44 0.075,45 0.5,46 1.586,47 0.698,48 27,49 1.07,50 22.653,51 5.676,52 3.855,53 34,54 5.129,55 3.851,56 6,57 3.852,58 1.513,60 93.913,61 2.759,62 5.477,63 93.913,64 0.664,65 7.606,66 30.05,67 2.286,68 1.681,69 3,70 3,71 5.6}
{0 CHEMBL1978271,2 4.757,3 -0.001,7 38.397,8 -0.036,9 0.022,10 4.592,11 1.09,12 0.632,13 1.036,14 326.064,15 1.784,16 251.863,17 1.841,18 30.234,19 1,20 376.593,21 1.853,22 4,23 1.737,24 1.578,25 0.088,27 1.129,28 40.8,29 1.946,30 4,31 5.081,32 0.978,33 4,34 0.789,35 5.304,36 9,37 7.757,38 5.174,39 436.632,40 71,41 1.992,42 5,43 8,44 0.033,45 0.7,46 1.576,47 0.655,48 20,49 1.123,50 17.184,51 5.568,52 3.74,53 24,54 4.644,55 3.738,56 3,57 3.966,58 1.417,60 72.472,61 2.916,62 5.481,63 72.472,64 0.625,65 6.977,66 27.621,67 2.135,68 1.586,69 1,70 1,71 5.6}
{0 CHEMBL1978371,3 0.042,7 9.492,8 0.049,9 0.04,10 3.818,11 0.787,12 0.583,13 0.505,14 183.265,15 1.877,16 212.559,17 1.797,18 13.617,20 220.568,21 1.79,22 4,23 1.854,24 1.686,25 0.126,27 1.096,28 54.2,29 1.964,30 1,31 5.153,32 0.777,34 0.42,35 4.595,36 4,37 7.516,38 5.016,39 268.078,40 48,41 1.986,42 1,43 3,44 0.015,45 0.6,46 1.181,47 0.742,48 14,49 1.073,50 13.823,51 5.002,52 3.817,53 22,54 4.524,55 3.826,56 4,57 3.695,58 1.181,60 31.059,61 2.687,62 5.033,63 31.059,64 0.709,65 6.61,66 12.527,67 2.061,68 1.062,71 5.6}
{0 CHEMBL1978448,3 -0.112,5 2,7 34.46,8 -0.248,9 0.015,10 4.563,11 1.256,12 0.674,13 0.644,14 182.513,15 1.531,16 108.383,17 1.61,18 23.193,19 1,20 194.122,21 1.596,22 4,23 1.507,24 1.431,25 0.169,26 1.562,27 1.124,28 40,29 1.668,30 3,31 4.898,32 0.945,33 1,34 2.215,35 4.853,36 7,37 7.402,38 4.688,39 212.877,40 40,41 1.661,42 3,43 5,44 0.231,45 0.8,46 1.269,47 0.684,48 11,49 0.825,50 10.372,51 4.853,52 3.647,53 14,54 3.907,55 3.655,56 2,57 3.596,58 1.074,59 75.402,60 21.428,61 2.58,62 4.841,63 21.428,64 0.652,65 6.496,66 18.121,67 1.515,68 1.237,71 5.8}
{0 CHEMBL1978562,2 8.73,3 -0.034,7 5.52,8 -0.195,9 0.001,10 4.601,11 0.712,12 0.682,13 0.496,14 147.245,15 1.665,16 184.644,17 1.593,18 8.131,19 2,20 155.245,21 1.597,22 4,23 1.616,24 1.384,25 0.162,27 1.112,28 50,29 1.833,31 5.03,32 0.702,35 4.851,36 6,37 8.676,38 5.08,39 160,40 32,41 1.79,42 5,43 1,44 -0.001,45 0.4,46 1.107,47 0.771,48 7,49 0.838,50 5.868,51 4.851,52 3.433,53 21,54 4.459,55 3.428,56 2,57 3.411,58 1.013,59 150.283,60 83.315,61 2.379,62 4.488,63 129.269,64 0.741,65 7.415,66 6.334,67 1.527,68 1.125,69 2,70 2,71 6.3}
{0 CHEMBL1978567,2 8.529,3 -0.002,5 1,7 20.25,8 -0.108,9 0.008,10 4.646,11 0.952,12 0.63,13 0.627,14 204.441,15 1.612,16 176.432,17 1.665,18 15.446,20 217.95,21 1.643,22 3,23 1.59,24 1.432,25 0.134,27 1.117,28 43.2,29 1.776,31 4.29,32 0.908,35 4.953,36 6,37 6.874,38 4.778,39 240.215,40 44,41 1.761,42 3,43 4,44 0.064,45 0.8,46 1.181,47 0.697,48 10,49 0.875,50 10.285,51 4.953,52 3.621,53 18,54 4.248,55 3.632,56 3,57 3.608,58 1.114,60 51.582,61 2.567,62 4.791,63 51.582,64 0.657,65 6.194,66 17.354,67 1.252,68 1.149,69 2,70 2,71 5.6}
{0 CHEMBL1979057,1 1,2 4.532,3 0.07,7 27.874,8 0.006,9 0.073,10 4.087,11 0.817,12 0.663,13 0.624,14 171.669,15 1.772,16 202.328,17 1.636,18 17.232,19 2,20 205.722,21 1.669,22 5,23 1.744,24 1.393,25 0.122,27 1.112,28 50,29 1.877,30 1,31 4.963,32 0.751,33 1,34 0.587,35 4.898,36 5,37 8.078,38 5.074,39 226.477,40 42,41 1.883,42 4,43 1,44 0.034,45 0.6,46 1.181,47 0.715,48 13,49 0.997,50 9.443,51 5.154,52 3.737,53 23,54 4.585,55 3.737,56 3,57 3.695,58 1.138,59 210.376,60 69.593,61 2.687,62 4.779,63 69.593,64 0.69,65 6.993,66 12.405,67 1.532,68 1.16,69 1,70 1,71 5.8}
{0 CHEMBL1979093,2 3.833,3 0.057,7 28.768,8 0.045,9 0.061,10 4.481,11 0.925,12 0.65,13 0.783,14 219.572,15 1.773,16 236.957,17 1.598,18 21.901,20 246.101,21 1.645,22 4,23 1.752,24 1.324,25 0.108,27 1.128,28 44.9,29 1.882,31 4.89,32 0.821,35 5.022,36 8,37 8.047,38 5.119,39 275.121,40 49,41 1.868,42 4,43 2,44 0.023,45 0.6,46 1.351,47 0.682,48 12,49 0.976,50 10.403,51 5.217,52 3.758,53 23,54 4.585,55 3.75,56 3,57 3.701,58 1.181,59 133.699,60 103.475,61 2.668,62 4.98,63 88.515,64 0.67,65 7.025,66 15.221,67 1.782,68 1.386,69 1,70 1,71 5.8}
{0 CHEMBL1979176,2 7.91,3 -0.065,7 29.053,8 -0.125,9 0.002,10 4.49,11 1.053,12 0.673,13 0.806,14 175.111,15 1.489,16 185.694,17 1.529,18 20.491,20 194.621,21 1.572,22 3,23 1.455,24 1.249,25 0.159,27 1.152,28 43.6,29 1.681,31 4.443,32 0.869,35 4.99,36 9,37 7.069,38 4.838,39 206.131,40 39,41 1.655,42 4,43 2,44 0.009,45 0.4,46 1.11,47 0.675,48 9,49 0.677,50 5.706,51 5.042,52 3.407,53 18,54 4.248,55 3.392,56 2,57 3.543,58 0.979,60 114.473,61 2.429,62 4.71,63 69.593,64 0.688,65 6.576,66 11.181,67 1.558,68 1.142,69 2,70 2,71 5.8}
{0 CHEMBL1979252,1 1,2 3.838,3 0.02,5 1,7 31.28,8 -0.049,9 0.043,10 4.283,11 0.944,12 0.65,13 0.772,14 158.485,15 1.73,16 162.533,17 1.485,18 20.099,20 173.995,21 1.523,22 3,23 1.708,24 1.25,25 0.165,27 1.147,28 45.9,29 1.856,30 1,31 4.357,32 0.819,33 1,34 -0.014,35 4.703,36 8,37 6.705,38 4.718,39 192.75,40 37,41 1.794,42 3,43 2,44 -0.003,45 0.4,46 0.994,47 0.684,48 8,49 0.863,50 4.959,51 4.811,52 3.68,53 15,54 4,55 3.664,56 3,57 3.468,58 0.94,60 97.687,61 2.417,62 4.687,63 52.807,64 0.697,65 5.885,66 9.15,67 1.583,68 1.062,69 1,70 1,71 5.8}
{0 CHEMBL1979357,2 8.499,3 0.012,7 16.54,8 -0.065,9 0.033,10 4.627,11 0.95,12 0.63,13 0.707,14 226.714,15 1.817,16 226.852,17 1.788,18 11.192,19 1,20 254.366,21 1.787,22 4,23 1.78,24 1.611,25 0.116,27 1.117,28 46.9,29 1.946,30 1,31 4.745,32 0.886,33 1,34 0.535,35 5.191,36 4,37 7.909,38 5.036,39 275.121,40 49,41 1.936,42 4,43 3,44 0.049,45 0.6,46 1.339,47 0.691,48 14,49 1.03,50 15.643,51 5.273,52 3.73,53 23,54 4.585,55 3.727,56 3,57 3.542,58 1.181,59 109.464,60 68.367,61 2.532,62 5.036,63 68.367,64 0.65,65 6.883,66 17.461,67 1.396,68 1.273,69 2,70 2,71 5.8}
{0 CHEMBL1979516,2 4.204,3 0.11,7 28.471,8 0.035,9 0.087,10 4.825,11 0.806,12 0.641,13 0.862,14 250.913,15 1.832,16 245.971,17 1.793,18 22.451,20 272.913,21 1.78,22 4,23 1.814,24 1.539,25 0.103,27 1.125,28 44.2,29 1.938,30 1,31 5.063,32 0.777,33 1,34 0.518,35 5.248,36 9,37 8.23,38 5.142,39 296.423,40 52,41 1.894,42 5,43 2,44 0.021,45 0.6,46 1.235,47 0.704,48 10,49 1.036,50 10.894,51 5.378,52 3.774,53 24,54 4.644,55 3.78,56 3,57 3.685,58 1.181,59 142.495,60 118.675,61 2.618,62 4.976,63 103.715,64 0.679,65 7.12,66 16.55,67 2.143,68 1.286,69 1,70 1,71 5.8}
{0 CHEMBL1979554,1 1,2 3.955,3 0.098,7 25.951,8 0.136,9 0.079,10 4.629,11 0.673,12 0.654,13 0.565,14 175.911,15 1.774,16 170.799,17 1.591,18 17.502,19 1,20 195.421,21 1.639,22 4,23 1.769,24 1.31,25 0.137,27 1.115,28 47.4,29 1.875,30 1,31 4.762,32 0.662,33 1,34 0.302,35 5.143,36 8,37 7.46,38 4.984,39 199.421,40 38,41 1.805,42 4,43 1,44 -0.01,45 0.4,46 1.098,47 0.749,48 8,49 0.917,50 5.058,51 5.195,52 3.774,53 19,54 4.322,55 3.75,56 3,57 3.782,58 1.013,59 110.156,60 69.348,61 2.628,62 4.667,63 69.348,64 0.732,65 6.511,66 6.478,67 1.987,68 1.017,69 1,70 1,71 6.4}
{0 CHEMBL1979577,2 4.345,3 0.137,7 31.4,8 0.134,9 0.097,10 4.771,11 0.788,12 0.614,13 0.856,14 276.743,15 1.849,16 299.823,17 1.851,18 23.654,20 298.743,21 1.842,22 4,23 1.83,24 1.667,25 0.103,27 1.117,28 44.8,29 1.947,31 5.1,32 0.797,35 5.151,36 7,37 8.432,38 5.188,39 339.763,40 58,41 1.942,42 5,43 4,44 0.03,45 0.5,46 1.417,47 0.702,48 8,49 1.046,50 13.261,51 5.267,52 3.784,53 24,54 4.644,55 3.79,56 3,57 3.733,58 1.334,59 148.776,60 118.601,61 2.683,62 5.181,63 118.601,64 0.66,65 7.248,66 21.188,67 2.136,68 1.371,69 1,70 1,71 5.8}
{0 CHEMBL1979690,1 2,2 12.907,3 -0.06,4 1,5 3,7 53.866,8 -0.221,9 -0.002,10 4.458,11 0.998,12 0.702,13 0.901,14 240.748,15 1.734,16 231.13,17 1.825,18 31.014,19 3,20 270.399,21 1.834,22 5,23 1.679,24 1.672,25 0.092,26 4.755,27 1.134,28 40.7,29 1.93,30 4,31 4.963,32 0.892,33 4,34 4.26,35 5.007,36 9,37 7.876,38 5.046,39 310.764,40 54,41 1.913,42 8,43 5,44 0.038,45 0.8,46 1.464,47 0.685,48 18,49 1.053,50 11.71,51 5.148,52 3.682,53 22,54 4.524,55 3.66,56 4,57 3.771,58 1.234,59 137.538,60 109.167,61 2.587,62 5.194,63 109.167,64 0.652,65 6.787,66 20.217,67 1.677,68 1.376,69 3,70 3,71 8.6}
{0 CHEMBL1979718,2 7.778,3 -0.01,4 1,7 24.385,8 -0.061,9 0.018,10 4.419,11 0.985,12 0.654,13 0.707,14 198.869,15 1.665,16 197.84,17 1.642,18 17.353,19 2,20 224.869,21 1.7,22 4,23 1.617,24 1.404,25 0.124,27 1.125,28 44.4,29 1.83,30 1,31 4.913,32 0.884,33 1,34 0.805,35 4.997,36 6,37 7.921,38 5.017,39 247.133,40 45,41 1.844,42 5,43 3,44 0.054,45 0.6,46 1.392,47 0.685,48 10,49 0.97,50 12.911,51 5.058,52 3.609,53 22,54 4.524,55 3.557,56 3,57 3.516,58 1.181,59 103.823,60 70.021,61 2.504,62 4.93,63 70.021,64 0.656,65 6.958,66 15.793,67 1.541,68 1.338,69 2,70 2,71 5.8}
{0 CHEMBL1979773,2 4.773,3 0.002,7 36.764,8 -0.044,9 0.023,10 4.502,11 1.063,12 0.632,13 1.029,14 306.134,15 1.784,16 271.191,17 1.862,18 28.158,19 1,20 351.153,21 1.866,22 4,23 1.737,24 1.609,25 0.094,26 1.583,27 1.13,28 41.2,29 1.946,30 2,31 5.081,32 0.972,33 2,34 0.843,35 5.164,36 8,37 7.781,38 5.18,39 413.947,40 68,41 1.992,42 6,43 7,44 0.039,45 0.8,46 1.563,47 0.659,48 19,49 1.138,50 17.883,51 5.44,52 3.743,53 24,54 4.644,55 3.74,56 3,57 4,58 1.417,60 90.483,61 2.958,62 5.501,63 90.483,64 0.624,65 6.986,66 26.278,67 2.133,68 1.54,69 1,70 1,71 5.6}
{0 CHEMBL1979883,2 4.369,3 0.062,7 29.841,8 -0.017,9 0.05,10 4.771,11 0.862,12 0.629,13 0.859,14 276.743,15 1.841,16 271.298,17 1.838,18 24.272,20 298.743,21 1.834,22 4,23 1.823,24 1.596,25 0.099,26 2.019,27 1.117,28 44.8,29 1.935,30 1,31 5.063,32 0.843,33 1,34 0.677,35 5.151,36 7,37 8.407,38 5.166,39 339.763,40 58,41 1.903,42 5,43 4,44 0.047,45 0.6,46 1.417,47 0.702,48 16,49 1.022,50 12.529,51 5.267,52 3.78,53 24,54 4.644,55 3.787,56 3,57 3.66,58 1.396,59 149.353,60 88.829,61 2.629,62 5.181,63 88.829,64 0.66,65 7.218,66 21.987,67 2.136,68 1.389,69 1,70 1,71 6}
{0 CHEMBL1979970,2 11.651,3 0.031,5 1,7 11.42,8 0.032,9 0.033,10 4.649,11 0.976,12 0.641,13 0.725,14 167.362,15 1.653,16 171.967,17 1.661,18 10.255,19 1,20 177.362,21 1.706,22 3,23 1.598,24 1.352,25 0.144,27 1.152,28 41.7,29 1.813,30 2,31 4.7,32 0.86,34 1.071,35 4.927,36 8,37 7.978,38 4.831,39 186.117,40 36,41 1.783,42 5,43 3,44 0.021,45 0.6,46 0.996,47 0.671,48 4,49 0.896,50 5.111,51 4.927,52 3.514,53 17,54 4.17,55 3.517,56 2,57 3.394,58 0.921,59 88.662,60 114.583,61 2.37,62 4.599,63 84.663,64 0.673,65 6.898,66 10.289,67 1.353,68 1.074,69 3,70 3,71 5.8}
{0 CHEMBL1980142,2 6.985,3 -0.015,7 28.555,8 -0.084,9 0.029,10 4.165,11 0.982,12 0.67,13 1.081,14 158.26,15 1.502,16 180.513,17 1.498,18 20.633,20 185.911,21 1.546,22 3,23 1.464,24 1.25,25 0.149,27 1.177,28 44.7,29 1.672,31 4.605,32 0.82,35 4.892,36 11,37 7.281,38 4.902,39 199.421,40 38,41 1.641,42 4,43 2,44 -0.014,45 0.4,46 0.971,47 0.676,48 7,49 0.688,50 4.879,51 4.998,52 3.43,53 18,54 4.248,55 3.414,56 2,57 3.859,58 0.899,60 159.353,61 2.666,62 4.735,63 69.593,64 0.717,65 6.686,66 6.634,67 1.618,68 1.055,69 2,70 2,71 5.8}
{0 CHEMBL1980144,2 8.079,3 0.102,7 30.732,8 0.004,9 0.082,10 4.478,11 0.798,12 0.658,13 0.77,14 214.959,15 1.805,16 250.243,17 1.623,18 22.999,20 237.714,21 1.656,22 4,23 1.778,24 1.471,25 0.11,27 1.121,28 43.8,29 1.928,31 4.682,32 0.757,35 4.952,36 9,37 7.389,38 5.068,39 268.078,40 48,41 1.839,42 6,43 1,44 0.024,45 0.4,46 1.181,47 0.712,48 8,49 0.949,50 7.05,51 5.278,52 3.815,53 24,54 4.644,55 3.818,56 3,57 3.669,58 1.179,59 139.549,60 120.5,61 2.619,62 4.932,63 120.5,64 0.686,65 6.635,66 15.017,67 1.757,68 1.289,69 2,70 2,71 5.8}
{0 CHEMBL1980163,1 1,2 8.627,3 -0.027,5 1,7 26.812,8 -0.096,9 0.016,10 3.78,11 0.941,12 0.64,13 0.572,14 158.762,15 1.85,16 206.215,17 1.552,18 17.031,19 1,20 198.868,21 1.561,22 4,23 1.824,24 1.355,25 0.111,27 1.11,28 50,29 1.948,30 1,31 4.543,32 0.84,33 1,34 0.56,35 4.735,36 4,37 7.551,38 4.909,39 226.477,40 42,41 1.962,42 3,43 1,44 0.057,45 0.6,46 1.181,47 0.71,48 15,49 1.044,50 8.419,51 4.964,52 3.782,53 23,54 4.585,55 3.786,56 3,57 3.491,58 1.181,60 51.582,61 2.474,62 4.749,63 51.582,64 0.678,65 6.573,66 13.169,67 1.275,68 1.062,69 2,70 2,71 5.8}
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{0 CHEMBL1980253,1 1,2 13.224,3 -0.062,4 1,5 1,7 26.305,8 -0.227,9 0.006,10 4.651,11 0.991,12 0.707,13 0.622,14 181.376,15 1.699,16 161.132,17 1.597,18 15.401,19 1,20 186.131,21 1.615,22 4,23 1.655,24 1.377,25 0.123,27 1.132,28 41,29 1.865,30 4,31 4.745,32 0.869,33 2,34 3.419,35 4.773,36 7,37 7.812,38 4.795,39 206.131,40 39,41 1.783,42 5,43 5,44 0.026,45 0.8,46 1.151,47 0.69,48 8,49 0.825,50 6.814,51 4.773,52 3.579,53 16,54 4.087,55 3.573,56 3,57 3.439,58 0.942,59 84.619,60 85.153,61 2.362,62 4.756,63 85.153,64 0.662,65 6.784,66 14.55,67 1.454,68 1.134,69 3,70 3,71 6.5}
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{0 CHEMBL1980329,3 0.131,7 11.855,8 0.109,9 0.098,10 4.114,11 0.759,12 0.63,13 0.49,14 152.22,15 1.617,16 161.567,17 1.647,18 9.676,19 1,20 178.75,21 1.639,22 4,23 1.586,24 1.462,25 0.141,27 1.106,28 51.4,29 1.764,31 4.868,32 0.725,35 4.831,36 4,37 7.989,38 4.867,39 192.75,40 37,41 1.727,42 2,44 0.002,45 0.6,46 1.148,47 0.716,48 10,49 0.811,50 6.95,51 4.993,52 3.71,53 19,54 4.322,55 3.704,56 3,57 3.483,58 1.08,59 86.625,60 34.796,61 2.433,62 4.608,63 34.796,64 0.693,65 6.802,66 9.877,67 1.274,68 1.062,71 8.3}
{0 CHEMBL1980391,1 1,2 4.191,3 0.013,5 1,7 35.694,8 0.007,9 0.034,10 4.593,11 0.85,12 0.66,13 0.654,14 179.111,15 1.584,16 182.279,17 1.658,18 22.242,19 2,20 194.621,21 1.708,22 4,23 1.543,24 1.363,25 0.124,27 1.128,28 46.2,29 1.735,31 5.247,32 0.776,35 4.99,36 7,37 8.247,38 4.965,39 206.131,40 39,41 1.748,42 4,43 2,44 0.014,45 0.6,46 1.104,47 0.714,48 9,49 0.858,50 9.155,51 5.042,52 3.684,53 18,54 4.248,55 3.66,56 2,57 3.778,58 1.06,60 83.082,61 2.659,62 4.746,63 68.122,64 0.697,65 7.037,66 11.371,67 1.66,68 1.126,69 1,70 1,71 6.9}
{0 CHEMBL1980407,2 4.343,3 0.062,7 18.632,8 0.048,9 0.067,10 4.906,11 0.895,12 0.636,13 0.81,14 279.666,15 1.737,16 263.853,17 1.783,18 16.112,19 1,20 315.72,21 1.798,22 5,23 1.712,24 1.622,25 0.099,27 1.115,28 47.4,29 1.859,30 2,31 5.13,32 0.826,33 1,34 1.14,35 5.539,36 6,37 8.111,38 5.11,39 332.475,40 57,41 1.839,42 4,43 3,44 0.033,45 0.6,46 1.368,47 0.694,48 15,49 0.965,50 13.681,51 5.587,52 3.807,53 25,54 4.7,55 3.798,56 4,57 3.617,58 1.304,59 139.702,60 84.479,61 2.6,62 5.158,63 84.479,64 0.663,65 6.937,66 19.098,67 1.905,68 1.494,69 1,70 1,71 7.2}
{0 CHEMBL1980435,2 12.845,3 0.014,5 2,7 28.901,8 0.121,9 0.024,10 4.512,11 0.931,12 0.641,13 0.819,14 234.648,15 1.889,16 251.375,17 1.698,18 20.215,19 2,20 273.668,21 1.75,22 5,23 1.87,24 1.464,25 0.1,27 1.121,28 46.2,29 1.981,30 1,31 5.106,32 0.832,33 1,34 0.643,35 5.263,36 8,37 8.367,38 5.207,39 296.423,40 52,41 1.987,42 6,43 2,44 0.061,45 0.6,46 1.336,47 0.698,48 17,49 1.074,50 9.104,51 5.417,52 3.843,53 28,54 4.858,55 3.841,56 4,57 3.784,58 1.21,59 134.817,60 86.317,61 2.736,62 5.027,63 86.317,64 0.678,65 7.135,66 16.146,67 1.918,68 1.444,69 3,70 3,71 6.1}
{0 CHEMBL1980489,1 1,2 3.898,3 0.03,5 1,7 26.297,8 -0.046,9 0.042,10 4.161,11 0.813,12 0.648,13 0.487,14 141.464,15 1.728,16 155.088,17 1.435,18 17.245,20 152.974,21 1.428,22 3,23 1.707,24 1.2,25 0.165,27 1.116,28 47.1,29 1.85,30 1,31 4.22,32 0.758,33 1,34 0.438,35 4.499,36 6,37 6.566,38 4.635,39 172.974,40 34,41 1.789,42 3,43 1,45 0.4,46 0.99,47 0.723,48 8,49 0.856,50 4.715,51 4.558,52 3.679,53 15,54 4,55 3.663,56 3,57 3.461,58 0.815,60 52.807,61 2.416,62 4.484,63 52.807,64 0.705,65 5.66,66 7.95,67 1.284,68 1.062,69 1,70 1,71 5.8}
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{0 CHEMBL1980715,1 1,3 0.03,7 26.48,8 0.024,9 0.029,10 3.72,11 1.284,12 0.593,13 0.876,14 234.356,15 1.714,16 246.907,17 1.777,18 18.012,20 268.794,21 1.745,22 1,23 1.65,24 1.545,25 0.119,27 1.15,28 31.7,29 1.918,30 11,31 3.871,32 1.2,33 1,34 13.469,35 4.267,36 7,37 5.312,38 4.193,39 376.569,40 63,41 1.962,42 6,43 12,44 -0.015,45 0.9,46 1.489,47 0.602,48 5,49 1.15,50 16.722,51 5.076,52 3.538,53 8,54 3.17,55 3.559,56 1,57 3.042,58 1.45,60 165.16,61 1.95,62 5.28,63 165.16,64 0.552,65 5.535,66 26.141,67 1.478,68 1.537,71 6}
{0 CHEMBL1980763,1 1,2 9.331,3 -0.08,4 1,5 2,7 35.248,8 -0.25,9 -0.008,10 4.702,11 1.091,12 0.685,13 0.779,14 239.784,15 1.64,16 169.983,17 1.794,18 23.513,19 2,20 247.784,21 1.792,22 4,23 1.582,24 1.599,25 0.111,26 2.248,27 1.133,28 39.2,29 1.861,30 5,31 4.868,32 0.979,33 4,34 4.093,35 4.859,36 7,37 7.719,38 4.867,39 289.294,40 51,41 1.848,42 5,43 8,44 0.04,45 0.8,46 1.417,47 0.666,48 12,49 1.021,50 13.336,51 4.898,52 3.519,53 16,54 4.087,55 3.534,56 3,57 3.468,58 1.273,59 115.584,60 71.492,61 2.371,62 5.11,63 71.492,64 0.626,65 6.695,66 21.861,67 1.835,68 1.301,69 2,70 2,71 6.4}
{0 CHEMBL1980802,2 7.83,3 -0.018,5 1,7 32.673,8 -0.196,9 0.036,10 4.754,11 0.987,12 0.694,13 0.613,14 194.905,15 1.616,16 189.59,17 1.531,18 24.489,20 203.66,21 1.581,22 3,23 1.58,24 1.293,25 0.14,27 1.136,28 39,29 1.831,30 2,31 4.595,32 0.809,33 2,34 -0.643,35 4.967,36 11,37 6.64,38 4.687,39 219.66,40 41,41 1.776,42 5,43 4,44 -0.023,45 0.8,46 1.039,47 0.682,48 9,49 0.757,50 8.987,51 5.211,52 3.505,53 14,54 3.907,55 3.49,56 1,57 3.631,58 0.959,60 100.652,61 2.512,62 4.892,63 100.652,64 0.686,65 6.004,66 10.668,67 2.071,68 1.081,69 2,70 2,71 5.8}
{0 CHEMBL1980896,2 8.379,3 0.087,7 19.516,8 0.067,9 0.074,10 4.63,11 0.615,12 0.634,13 0.581,14 194.477,15 1.748,16 198.407,17 1.595,18 16.823,20 214.477,21 1.608,22 4,23 1.716,24 1.418,25 0.117,27 1.105,28 47.6,29 1.884,30 1,31 4.852,32 0.65,34 0.261,35 5.107,36 8,37 7.947,38 5.059,39 226.477,40 42,41 1.787,42 4,43 1,44 -0.005,45 0.4,46 1.164,47 0.783,48 8,49 0.873,50 7.791,51 5.107,52 3.748,53 23,54 4.585,55 3.762,56 3,57 3.595,58 1.088,59 122.751,60 84.479,61 2.54,62 4.756,63 130.433,64 0.738,65 6.953,66 14.581,67 1.94,68 1.062,69 2,70 2,71 5.8}
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{0 CHEMBL1980995,3 -0.022,5 1,7 43.083,8 -0.127,9 0.039,10 4.943,11 1.006,12 0.707,13 0.917,14 301.51,15 1.889,16 178.319,17 1.944,18 28.268,19 2,20 323.51,21 1.937,22 8,23 1.856,24 1.787,25 0.096,27 1.118,28 45.9,29 2.003,30 2,31 6.802,32 0.868,33 1,34 1.286,35 5.303,36 7,37 10.431,38 5.612,39 361.775,40 61,41 1.955,42 4,43 9,44 0.085,45 0.8,46 1.577,47 0.685,48 18,49 1.166,50 29.664,51 5.566,52 3.707,53 25,54 4.7,55 3.692,56 1,57 4.144,58 1.54,59 304.128,60 39.82,61 3.072,62 5.531,63 39.82,64 0.656,65 8.645,66 25.463,67 2.327,68 1.55,71 9.1}
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{0 CHEMBL1983945,2 8.201,3 0.063,7 13.185,8 0.007,9 0.063,10 4.771,11 0.896,12 0.638,13 0.752,14 238.541,15 1.794,16 256.058,17 1.851,18 11.193,19 1,20 266.193,21 1.853,22 4,23 1.756,24 1.673,25 0.116,27 1.12,28 46,29 1.933,30 1,31 4.543,32 0.831,34 0.449,35 5.324,36 6,37 7.28,38 5.011,39 282.193,40 50,41 1.903,42 5,43 2,44 0.022,45 0.6,46 1.242,47 0.691,48 10,49 1.023,50 11.276,51 5.404,52 3.721,53 24,54 4.644,55 3.712,56 3,57 3.603,58 1.181,59 131.622,60 101.265,61 2.592,62 5.022,63 101.265,64 0.661,65 6.611,66 16.078,67 1.546,68 1.269,69 2,70 2,71 5.7}
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{0 CHEMBL1984038,1 1,3 -0.067,7 41.012,8 -0.082,9 0.029,10 4.309,11 1.154,12 0.641,13 0.937,14 284.362,15 1.802,16 253.371,17 1.873,18 29.987,19 1,20 334.891,21 1.889,22 5,23 1.797,24 1.749,25 0.1,27 1.116,28 43.9,29 1.94,31 5.557,32 0.896,35 5.074,36 10,37 8.71,38 5.296,39 398.93,40 66,41 1.884,42 3,43 4,44 0.167,45 0.5,46 1.571,47 0.69,48 24,49 1.018,50 20.128,51 5.483,52 3.799,53 27,54 4.807,55 3.865,56 3,57 4.04,58 1.533,60 52.426,61 2.952,62 5.307,63 52.426,64 0.665,65 7.354,66 27.173,67 2.533,68 1.517,71 5.7}
{0 CHEMBL1984162,1 1,2 18.47,3 -0.065,5 1,7 36.87,8 -0.12,9 0.007,10 5.034,11 1.153,12 0.679,13 1.109,14 362.46,15 1.892,16 266.294,17 1.895,18 31.057,19 2,20 385.97,21 1.916,22 6,23 1.842,24 1.736,25 0.077,27 1.132,28 40.3,29 2.024,30 6,31 5.595,32 0.983,33 2,34 5.114,35 5.361,36 10,37 8.678,38 5.38,39 444.235,40 72,41 2.019,42 7,43 11,44 0.074,45 0.7,46 1.527,47 0.657,48 15,49 1.138,50 19.602,51 5.5,52 3.771,53 26,54 4.755,55 3.772,56 4,57 3.744,58 1.513,59 345.132,60 119.704,61 2.69,62 5.516,63 119.704,64 0.627,65 7.504,66 30.229,67 2.204,68 1.554,69 4,70 4,71 7.4}
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{0 CHEMBL1984367,2 4.351,3 0.054,7 19.434,8 0.029,9 0.039,10 4.204,11 0.857,12 0.63,13 0.707,14 197.582,15 1.602,16 188.96,17 1.677,18 14.261,19 1,20 222.801,21 1.668,22 4,23 1.582,24 1.484,25 0.119,26 2.05,27 1.116,28 44.7,29 1.772,30 1,31 4.727,32 0.845,33 1,34 0.5,35 4.74,36 6,37 7.827,38 5.019,39 261.066,40 47,41 1.755,42 4,43 3,44 0.064,45 0.6,46 1.321,47 0.707,48 18,49 0.864,50 10.343,51 4.799,52 3.761,53 22,54 4.524,55 3.786,56 3,57 3.689,58 1.194,60 54.461,61 2.615,62 4.943,63 54.461,64 0.664,65 6.914,66 17.897,67 1.561,68 1.239,69 1,70 1,71 5.8}
{0 CHEMBL1984432,2 12.613,3 0.035,5 2,7 16.546,8 0.186,9 0.024,10 4.396,11 0.926,12 0.62,13 0.645,14 175.858,15 1.49,16 183.231,17 1.596,18 11.664,19 2,20 193.367,21 1.645,22 4,23 1.427,24 1.319,25 0.121,27 1.125,28 45,29 1.712,30 1,31 4.663,32 0.871,33 1,34 0.729,35 4.834,36 5,37 7.919,38 4.934,39 212.877,40 40,41 1.688,42 5,43 3,44 0.08,45 0.6,46 1.295,47 0.69,48 8,49 0.851,50 7.501,51 5.034,52 3.613,53 21,54 4.459,55 3.573,56 3,57 3.694,58 1.087,59 92.479,60 68.306,61 2.646,62 4.842,63 68.306,64 0.657,65 6.813,66 14.111,67 1.358,68 1.284,69 3,70 3,71 5.8}
{0 CHEMBL1984548,1 2,2 12.495,3 -0.001,4 1,7 43.627,8 -0.148,9 0.028,10 4.702,11 0.893,12 0.688,13 0.638,14 178.666,15 1.523,16 215.504,17 1.578,18 24.894,19 3,20 190.666,21 1.588,22 3,23 1.461,24 1.384,25 0.136,27 1.14,28 39.5,29 1.781,31 4.357,32 0.797,35 5.018,36 9,37 7.235,38 4.735,39 199.421,40 38,41 1.718,42 7,43 1,44 -0.001,45 0.6,46 1.078,47 0.695,48 7,49 0.75,50 7.226,51 5.07,52 3.627,53 18,54 4.248,55 3.607,56 3,57 3.617,58 1.041,60 120.929,61 2.48,62 4.606,63 120.929,64 0.679,65 6.185,66 10.644,67 1.384,68 1.066,69 3,70 3,71 8.2}
{0 CHEMBL1984586,2 8.08,3 0.031,7 20.04,8 -0.04,9 0.057,10 4.471,11 0.918,12 0.667,13 0.681,14 196.705,15 1.742,16 236.137,17 1.58,18 15.479,20 218.705,21 1.628,22 4,23 1.707,24 1.36,25 0.119,27 1.123,28 45.5,29 1.898,31 4.754,32 0.801,35 4.971,36 7,37 7.904,38 5.03,39 240.215,40 44,41 1.8,42 5,43 1,44 0.021,45 0.6,46 1.181,47 0.693,48 8,49 0.854,50 7.088,51 5.124,52 3.735,53 23,54 4.585,55 3.722,56 3,57 3.633,58 1.163,59 117.366,60 102.49,61 2.597,62 4.848,63 102.49,64 0.675,65 6.873,66 13.276,67 1.539,68 1.233,69 2,70 2,71 5.8}
{0 CHEMBL1984633,2 8.312,3 -0.001,5 1,7 18.055,8 -0.112,9 0.008,10 4.534,11 0.93,12 0.635,13 0.586,14 185.885,15 1.558,16 173.897,17 1.555,18 13.021,20 202.15,21 1.548,22 3,23 1.536,24 1.364,25 0.138,27 1.116,28 43.9,29 1.746,31 4.19,32 0.881,35 4.93,36 6,37 6.782,38 4.726,39 219.66,40 41,41 1.736,42 3,43 3,44 0.062,45 0.6,46 1.181,47 0.705,48 10,49 0.839,50 8.63,51 4.93,52 3.594,53 18,54 4.248,55 3.612,56 3,57 3.566,58 1.102,60 51.582,61 2.525,62 4.705,63 51.582,64 0.668,65 6.086,66 15.321,67 1.15,68 1.062,69 2,70 2,71 5.8}
{0 CHEMBL1984686,1 1,2 12.316,3 -0.03,7 18.176,8 -0.196,9 -0.001,10 4.177,11 0.701,12 0.667,13 0.414,14 112.772,15 1.388,16 155.319,17 1.216,18 11.131,19 1,20 128.382,21 1.193,22 3,23 1.348,24 1.051,25 0.154,27 1.114,28 48.1,29 1.542,31 4.22,32 0.715,35 4.755,36 5,37 7.311,38 4.62,39 128.382,40 27,41 1.491,42 4,44 -0.002,45 0.4,46 0.817,47 0.765,48 5,49 0.553,50 3.003,51 4.755,52 3.329,53 17,54 4.17,55 3.346,56 2,57 3.132,58 0.61,60 68.367,61 2.011,62 4.195,63 114.321,64 0.729,65 6.419,66 2.815,67 0.878,68 0.709,69 3,70 3,71 5.6}
{0 CHEMBL1984711,1 2,2 13.036,3 -0.132,4 1,5 3,7 57.097,8 -0.213,9 -0.031,10 4.272,11 1.272,12 0.685,13 0.851,14 247.75,15 1.733,16 211.954,17 1.596,18 33.976,19 2,20 270.969,21 1.605,22 4,23 1.687,24 1.434,25 0.099,27 1.136,28 37.9,29 1.895,30 5,31 4.787,32 1.05,34 6.15,35 4.672,36 9,37 7.456,38 4.886,39 339.763,40 58,41 1.823,42 5,43 9,44 0.077,45 1,46 1.543,47 0.642,48 13,49 0.901,50 12.474,51 4.957,52 3.665,53 17,54 4.17,55 3.644,56 4,57 3.647,58 1.513,60 89.189,61 2.525,62 5.183,63 89.189,64 0.617,65 6.381,66 24.437,67 1.873,68 1.512,69 3,70 3,71 6.4}
{0 CHEMBL1984760,1 1,2 8.543,3 -0.025,4 1,7 28.954,8 -0.119,9 0.017,10 4.812,11 1.11,12 0.661,13 0.947,14 230.959,15 1.633,16 188.692,17 1.741,18 21.26,19 2,20 242.568,21 1.77,22 3,23 1.558,24 1.501,25 0.142,27 1.155,28 39.6,29 1.864,30 4,31 4.727,32 0.962,33 1,34 0.265,35 5.054,36 9,37 7.646,38 4.835,39 268.078,40 48,41 1.91,42 5,43 6,44 0.013,45 0.8,46 1.226,47 0.649,48 7,49 1.083,50 9.76,51 5.054,52 3.457,53 17,54 4.17,55 3.465,56 2,57 3.825,58 1.181,59 127.12,60 131.258,61 2.466,62 4.924,63 86.378,64 0.64,65 6.678,66 18.206,67 1.683,68 1.264,69 2,70 2,71 6.3}
{0 CHEMBL1984842,1 1,2 18.255,3 -0.088,4 1,7 20.681,8 -0.224,9 -0.017,10 4.793,11 1.193,12 0.669,13 1.018,14 301.939,15 1.786,16 231.968,17 1.9,18 16.003,19 1,20 327.549,21 1.879,22 4,23 1.734,24 1.704,25 0.092,27 1.139,28 39.7,29 1.975,30 3,31 5.438,32 1.026,33 3,34 1.04,35 5.199,36 9,37 8.736,38 5.138,39 376.569,40 63,41 1.972,42 6,43 9,44 0.046,45 0.8,46 1.417,47 0.651,48 11,49 1.116,50 14.543,51 5.199,52 3.683,53 22,54 4.524,55 3.675,56 3,57 3.706,58 1.417,59 140.57,60 101.399,61 2.609,62 5.478,63 86.439,64 0.623,65 7.435,66 25.204,67 1.946,68 1.354,69 4,70 4,71 5.7}
{0 CHEMBL1984847,2 4.247,3 -0.037,5 1,7 21.102,8 -0.055,9 -0.007,10 4.784,11 0.865,12 0.648,13 0.795,14 191.367,15 1.57,16 136.707,17 1.643,18 18.569,19 1,20 199.367,21 1.656,22 3,23 1.522,24 1.379,25 0.154,27 1.147,28 42.5,29 1.794,30 2,31 5.075,32 0.831,33 2,34 -0.107,35 4.984,36 10,37 7.622,38 4.793,39 212.877,40 40,41 1.758,42 3,43 4,44 -0.001,45 0.6,46 1.048,47 0.697,48 9,49 0.914,50 7.611,51 4.984,52 3.436,53 14,54 3.907,55 3.406,56 2,57 3.617,58 0.986,59 106.795,60 81.331,61 2.493,62 4.74,63 82.404,64 0.702,65 6.752,66 8.852,67 1.846,68 1.161,69 1,70 1,71 5.6}
{0 CHEMBL1985074,2 4.427,3 0.064,7 8.139,8 -0.005,9 0.05,10 4.392,11 0.734,12 0.639,13 0.402,14 127.372,15 1.273,16 95.471,17 1.317,18 10.33,20 132.127,21 1.298,22 3,23 1.224,24 1.11,25 0.216,27 1.108,28 44.8,29 1.51,30 2,31 4.585,32 0.748,33 1,34 1.368,35 4.556,36 5,37 7.263,38 4.654,39 140.881,40 29,41 1.523,42 2,43 3,44 0.023,45 0.8,46 0.829,47 0.751,48 8,49 0.679,50 4.974,51 4.556,52 3.162,53 12,54 3.7,55 3.241,56 1,57 3.232,58 0.507,60 34.796,61 2.107,62 4.355,63 34.796,64 0.704,65 6.744,66 12.131,67 1.195,68 0.786,69 1,70 1,71 5.8}
{0 CHEMBL1985092,1 1,2 4.435,3 0.164,7 21.733,8 0.216,9 0.105,10 3.914,11 0.692,12 0.62,13 0.591,14 168.31,15 1.848,16 185.95,17 1.557,18 15.401,19 2,20 199.329,21 1.616,22 4,23 1.827,24 1.363,25 0.109,27 1.111,28 48.8,29 1.944,31 4.97,32 0.699,35 4.636,36 6,37 8.039,38 4.984,39 233.329,40 43,41 1.955,42 3,44 -0.017,45 0.6,46 1.181,47 0.724,48 12,49 1.033,50 8.688,51 4.961,52 3.784,53 23,54 4.585,55 3.787,56 4,57 3.581,58 1.114,60 51.337,61 2.505,62 4.801,63 51.337,64 0.698,65 6.858,66 10.224,67 1.393,68 1.062,69 1,70 1,71 5.8}
{0 CHEMBL1985095,2 12.816,3 0.14,4 1,5 2,7 10.917,8 0.116,9 0.106,10 4.928,11 0.71,12 0.672,13 0.814,14 241.469,15 1.808,16 260.015,17 1.774,18 9.628,19 2,20 267.121,21 1.802,22 6,23 1.764,24 1.586,25 0.096,27 1.116,28 46.9,29 1.971,30 1,31 5.697,32 0.681,33 1,34 0.029,35 5.451,36 9,37 9.416,38 5.442,39 275.121,40 49,41 1.878,42 7,43 1,44 0.03,45 0.4,46 1.356,47 0.734,48 9,49 1.025,50 10.341,51 5.492,52 3.877,53 31,54 5,55 3.86,56 3,57 3.853,58 1.255,59 329.488,60 134.591,61 2.762,62 4.966,63 134.591,64 0.708,65 7.89,66 13.377,67 1.786,68 1.386,69 3,70 3,71 5.8}
{0 CHEMBL1985206,2 4.514,3 0.072,7 11.91,8 0.15,9 0.053,10 4.604,11 0.767,12 0.614,13 0.475,14 165.753,15 1.484,16 160.042,17 1.606,18 11.162,19 1,20 177.362,21 1.629,22 4,23 1.451,24 1.432,25 0.14,27 1.1,28 50,29 1.699,30 2,31 5.05,32 0.757,33 1,34 1.337,35 4.927,36 4,37 8.195,38 4.887,39 186.117,40 36,41 1.691,42 2,43 3,44 0.068,45 0.6,46 1.234,47 0.741,48 10,49 0.728,50 7.3,51 4.927,52 3.53,53 17,54 4.17,55 3.531,56 2,57 3.381,58 1.026,59 65.513,60 33.326,61 2.311,62 4.514,63 33.326,64 0.697,65 7.039,66 13.502,67 1.331,68 1.215,69 1,70 1,71 5.6}
{0 CHEMBL1985311,2 4.159,3 0.165,7 26.018,8 0.134,9 0.12,10 4.534,11 0.797,12 0.638,13 0.795,14 213.092,15 1.777,16 232.519,17 1.694,18 19.558,19 1,20 244.311,21 1.746,22 4,23 1.749,24 1.396,25 0.112,27 1.131,28 44.7,29 1.881,30 1,31 4.787,32 0.749,33 1,34 -0.244,35 5.198,36 8,37 7.899,38 5.078,39 261.066,40 47,41 1.885,42 5,43 1,44 -0.016,45 0.5,46 1.181,47 0.685,48 12,49 0.98,50 9.627,51 5.299,52 3.763,53 23,54 4.585,55 3.759,56 3,57 3.658,58 1.162,59 129.381,60 117.205,61 2.62,62 4.952,63 102.245,64 0.673,65 6.908,66 13.287,67 1.819,68 1.221,69 1,70 1,71 5.8}
{0 CHEMBL1985367,1 1,2 13.354,3 -0.046,7 24.276,8 -0.169,10 3.905,11 1.007,12 0.643,13 0.556,14 144.485,15 1.703,16 186.987,17 1.477,18 14.338,19 1,20 172.485,21 1.453,22 3,23 1.66,24 1.189,25 0.132,27 1.121,28 45.9,29 1.849,31 4.263,32 0.904,35 4.662,36 4,37 7.293,38 4.642,39 192.75,40 37,41 1.848,42 4,43 2,44 0.052,45 0.6,46 1.181,47 0.692,48 8,49 0.906,50 7.642,51 4.736,52 3.62,53 18,54 4.248,55 3.612,56 3,57 3.395,58 1.087,60 68.367,61 2.363,62 4.597,63 68.367,64 0.655,65 6.249,66 12.57,67 1.078,68 1.062,69 3,70 3,71 5.6}
{0 CHEMBL1985406,2 4.099,3 0.058,7 11.42,8 0.049,9 0.051,10 4.504,11 0.936,12 0.62,13 0.705,14 171.157,15 1.674,16 158.451,17 1.68,18 10.255,19 1,20 188.666,21 1.711,22 3,23 1.617,24 1.399,25 0.144,27 1.139,28 44.7,29 1.849,30 2,31 4.7,32 0.861,34 1.135,35 4.965,36 6,37 7.978,38 4.831,39 199.421,40 38,41 1.855,42 3,43 3,44 0.017,45 0.6,46 1.039,47 0.676,48 6,49 0.957,50 6.977,51 5.018,52 3.524,53 17,54 4.17,55 3.527,56 2,57 3.4,58 0.999,59 88.662,60 81.257,61 2.379,62 4.677,63 51.337,64 0.664,65 6.898,66 11.871,67 1.353,68 1.074,69 1,70 1,71 5.8}
{0 CHEMBL1985566,1 1,3 -0.038,7 57.472,8 -0.094,9 0.016,10 4.806,11 1.044,12 0.649,13 1.025,14 355.619,15 1.896,16 286.085,17 1.903,18 40.342,19 1,20 411.235,21 1.906,22 6,23 1.866,24 1.802,25 0.086,26 2.316,27 1.117,28 45.9,29 2.013,30 7,31 5.468,32 0.913,33 5,34 4.843,35 5.557,36 8,37 8.434,38 5.283,39 459.5,40 74,41 2.01,42 4,43 8,44 0.06,45 0.7,46 1.576,47 0.682,48 26,49 1.22,50 21.728,51 5.686,52 3.842,53 26,54 4.755,55 3.838,56 4,57 3.814,58 1.526,60 70.205,61 2.737,62 5.485,63 70.205,64 0.653,65 7.15,66 28.114,67 2.55,68 1.548,71 5.9}
{0 CHEMBL1985580,2 8.22,3 0.06,7 13.185,8 0.03,9 0.057,10 4.456,11 0.886,12 0.617,13 0.73,14 231.694,15 1.792,16 259.082,17 1.797,18 11.193,20 268.913,21 1.799,22 4,23 1.755,24 1.615,25 0.113,27 1.114,28 48.1,29 1.928,30 1,31 4.575,32 0.837,34 0.461,35 5.171,36 5,37 7.351,38 5.034,39 296.423,40 52,41 1.899,42 4,43 2,44 0.026,45 0.6,46 1.287,47 0.699,48 13,49 1.007,50 13.064,51 5.47,52 3.721,53 25,54 4.7,55 3.712,56 3,57 3.605,58 1.181,60 84.479,61 2.596,62 5.062,63 84.479,64 0.664,65 6.675,66 16.609,67 1.618,68 1.278,69 2,70 2,71 5.8}
{0 CHEMBL1985681,2 4.647,3 0.096,5 2,7 28.211,8 0.036,9 0.078,10 4.679,11 0.872,12 0.641,13 0.541,14 177.812,15 1.577,16 159.974,17 1.506,18 22.383,20 193.421,21 1.527,22 4,23 1.535,24 1.299,25 0.156,27 1.116,28 47.4,29 1.747,30 3,31 5.037,32 0.804,34 2.475,35 5.09,36 5,37 7.5,38 4.766,39 199.421,40 38,41 1.753,42 3,43 5,44 0.016,45 0.8,46 1.068,47 0.697,48 6,49 0.914,50 7.789,51 5.09,52 3.455,53 14,54 3.907,55 3.454,56 2,57 3.516,58 1.045,59 79.179,60 65.856,61 2.504,62 4.83,63 65.856,64 0.675,65 6.64,66 12.374,67 1.745,68 1.039,69 1,70 1,71 5.6}
{0 CHEMBL1985723,1 1,2 8.667,3 0.04,5 1,7 16.907,8 -0.061,9 0.049,10 4.6,11 0.931,12 0.652,13 0.664,14 197.82,15 1.741,16 195.185,17 1.612,18 11.088,19 1,20 209.82,21 1.626,22 3,23 1.693,24 1.392,25 0.129,27 1.134,28 39.5,29 1.896,30 2,31 4.605,32 0.896,33 2,34 1.327,35 4.88,36 6,37 7.753,38 4.77,39 233.329,40 43,41 1.853,42 5,43 5,44 0.008,45 0.8,46 1.383,47 0.674,48 8,49 0.906,50 9.198,51 4.88,52 3.618,53 16,54 4.087,55 3.626,56 2,57 3.647,58 1.153,59 88.521,60 101.265,61 2.538,62 5.105,63 101.265,64 0.631,65 6.763,66 17.065,67 1.063,68 1.239,69 2,70 2,71 5.5}
{0 CHEMBL1986139,1 1,2 8.423,3 0.045,7 19.407,8 -0.08,9 0.034,10 3.909,11 0.69,12 0.662,13 0.363,14 97.732,15 1.369,16 126.706,17 1.206,18 11.088,19 1,20 105.342,21 1.208,22 3,23 1.378,24 0.971,25 0.176,27 1.104,28 48,29 1.456,31 4.111,32 0.673,35 4.214,36 5,37 7.066,38 4.631,39 116.096,40 25,41 1.309,42 3,44 0.013,45 0.4,46 0.735,47 0.792,48 5,49 0.559,50 3.334,51 4.324,52 3.143,53 16,54 4.087,55 3.156,56 2,57 2.931,58 0.381,59 58.616,60 51.582,61 1.799,62 4.06,63 51.582,64 0.746,65 6.348,66 5.312,67 0.881,68 0.738,69 2,70 2,71 5.8}
{0 CHEMBL1986143,2 4.011,3 0.057,7 13.134,8 0.011,9 0.048,10 4.052,11 0.939,12 0.6,13 0.595,14 182.325,15 1.718,16 177.111,17 1.76,18 9.786,20 212.379,21 1.744,22 3,23 1.683,24 1.548,25 0.133,27 1.114,28 46.7,29 1.85,30 2,31 4.234,32 0.888,33 1,34 0.492,35 4.72,36 4,37 6.997,38 4.716,39 247.133,40 45,41 1.841,42 2,43 3,44 0.015,45 0.6,46 1.181,47 0.684,48 14,49 0.965,50 12.129,51 4.87,52 3.644,53 19,54 4.322,55 3.639,56 3,57 3.624,58 1.181,60 34.796,61 2.631,62 4.894,63 34.796,64 0.649,65 6.23,66 15.366,67 1.169,68 1.062,69 1,70 1,71 5.6}
{0 CHEMBL1986177,1 1,2 12.969,3 0.066,7 35.147,8 -0.097,9 0.048,10 4.97,11 0.746,12 0.679,13 0.706,14 213.72,15 1.615,16 199.336,17 1.63,18 23.036,20 229.329,21 1.663,22 4,23 1.567,24 1.408,25 0.115,27 1.118,28 41.9,29 1.785,30 2,31 4.431,32 0.729,33 1,34 1.396,35 5.333,36 10,37 6.821,38 4.943,39 233.329,40 43,41 1.766,42 6,43 2,44 0.019,45 0.4,46 1.138,47 0.755,48 7,49 0.9,50 7.513,51 5.333,52 3.762,53 22,54 4.524,55 3.817,56 3,57 3.596,58 1.051,59 129.119,60 104.389,61 2.454,62 4.686,63 104.389,64 0.713,65 6.28,66 12.778,67 1.548,68 1.208,69 3,70 3,71 5.6}
{0 CHEMBL1986186,2 3.907,3 0.003,5 1,7 22.014,8 -0.146,9 0.014,10 3.701,11 1.15,12 0.625,13 0.559,14 144.356,15 1.671,16 130.975,17 1.546,18 14.61,20 156.092,21 1.5,22 2,23 1.643,24 1.256,25 0.172,27 1.134,28 38.5,29 1.808,31 3.85,32 1.036,35 4.002,36 5,37 6.628,38 4.44,39 206.131,40 39,41 1.762,42 3,43 6,44 0.005,45 1,46 1.181,47 0.641,48 3,49 0.846,50 7.364,51 4.105,52 3.594,53 9,54 3.322,55 3.592,56 2,57 3.456,58 0.903,60 50.357,61 2.404,62 4.955,63 50.357,64 0.608,65 5.94,66 14.718,67 1,68 1.062,69 1,70 1,71 5.8}
{0 CHEMBL1986263,1 1,2 8.79,3 -0.053,4 1,5 1,7 31.6,8 -0.245,9 -0.022,10 4.729,11 1.014,12 0.667,13 0.645,14 198.603,15 1.584,16 161.807,17 1.6,18 21.932,19 1,20 210.213,21 1.56,22 3,23 1.516,24 1.368,25 0.186,26 1.747,27 1.125,28 40.5,29 1.813,30 1,31 4.443,32 0.939,33 1,34 0.654,35 5.005,36 7,37 7.126,38 4.659,39 226.477,40 42,41 1.806,42 4,43 4,44 0.07,45 0.8,46 1.113,47 0.688,48 10,49 0.917,50 9.013,51 5.005,52 3.518,53 14,54 3.907,55 3.507,56 3,57 3.534,58 1.07,60 54.706,61 2.432,62 4.704,63 54.706,64 0.652,65 6.159,66 17.695,67 1.507,68 1.237,69 2,70 2,71 7.1}
{0 CHEMBL1986265,3 -0.011,7 29.871,8 -0.056,9 0.015,10 4.478,11 0.994,12 0.639,13 0.791,14 197.054,15 1.775,16 107.338,17 1.485,18 23.174,20 216.705,21 1.525,22 3,23 1.735,24 1.255,25 0.154,26 1.975,27 1.142,28 43.2,29 1.911,30 4,31 4.369,32 0.9,33 4,34 1.501,35 4.925,36 8,37 6.711,38 4.61,39 240.215,40 44,41 1.908,42 1,43 6,44 0.003,45 1,46 1.098,47 0.674,48 15,49 1.1,50 8.607,51 5.033,52 3.681,53 13,54 3.807,55 3.672,56 3,57 3.769,58 1.079,60 48.005,61 2.657,62 4.992,63 3.124,64 0.668,65 5.796,66 14.861,67 1.93,68 1.144,71 5.6}
{0 CHEMBL1986499,2 13.016,3 0.112,5 2,7 16.72,8 0.192,9 0.074,10 4.208,11 0.793,12 0.629,13 0.811,14 193.555,15 1.866,16 248.26,17 1.695,18 13.171,19 2,20 228.574,21 1.747,22 5,23 1.842,24 1.416,25 0.1,27 1.127,28 47.8,29 1.955,30 1,31 5.268,32 0.757,33 1,34 0.552,35 4.969,36 7,37 8.604,38 5.198,39 254.084,40 46,41 1.964,42 6,43 1,44 0.04,45 0.6,46 1.181,47 0.707,48 14,49 1.062,50 9.851,51 5.089,52 3.813,53 27,54 4.807,55 3.818,56 4,57 3.544,58 1.181,59 114.66,60 116.163,61 2.527,62 4.945,63 101.203,64 0.689,65 7.287,66 12.676,67 1.565,68 1.117,69 3,70 3,71 6.4}
{0 CHEMBL1986530,2 8.511,3 -0.059,4 1,5 4,7 33.148,8 -0.143,9 -0.004,10 4.651,11 1.119,12 0.674,13 0.986,14 269.763,15 1.8,16 187.395,17 1.831,18 28.588,20 285.763,21 1.834,22 5,23 1.74,24 1.639,25 0.101,26 3.684,27 1.136,28 41.4,29 1.964,30 9,31 5.081,32 0.971,33 4,34 6.16,35 4.927,36 9,37 7.16,38 4.956,39 339.763,40 58,41 1.951,42 6,43 9,44 0.06,45 0.8,46 1.452,47 0.664,48 12,49 1.17,50 15.567,51 5.237,52 3.715,53 16,54 4.087,55 3.692,56 4,57 3.76,58 1.328,60 89.331,61 2.607,62 5.318,63 74.371,64 0.642,65 6.284,66 22.673,67 2.247,68 1.376,69 2,70 2,71 5.8}
{0 CHEMBL1986590,3 0.091,7 10.692,8 0.077,9 0.08,10 4,11 0.761,12 0.638,13 0.425,14 128,15 1.62,16 150.865,17 1.53,18 7.52,19 1,20 152,21 1.564,22 4,23 1.586,24 1.313,25 0.159,27 1.103,28 53.1,29 1.768,31 4.7,32 0.721,35 4.75,36 3,37 7.957,38 4.867,39 160,40 32,41 1.734,42 2,44 0.029,45 0.4,46 1.068,47 0.727,48 9,49 0.806,50 5.272,51 5,52 3.408,53 18,54 4.248,55 3.412,56 2,57 3.21,58 1.041,59 132.905,60 34.796,61 2.21,62 4.457,63 34.796,64 0.7,65 6.852,66 8.775,67 1.191,68 0.978,71 5.6}
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{0 CHEMBL1986756,2 7.673,3 -0.015,7 25.872,8 -0.09,9 0.02,10 4.5,11 1.012,12 0.654,13 0.843,14 184.498,15 1.604,16 184.113,17 1.562,18 19.816,20 206.15,21 1.605,22 3,23 1.554,24 1.304,25 0.159,27 1.149,28 43.9,29 1.788,30 1,31 4.443,32 0.88,34 0.858,35 5.028,36 8,37 7.069,38 4.838,39 219.66,40 41,41 1.824,42 4,43 3,44 0.009,45 0.6,46 1.131,47 0.674,48 7,49 0.965,50 6.575,51 5.077,52 3.49,53 18,54 4.248,55 3.493,56 2,57 3.552,58 0.994,60 114.473,61 2.467,62 4.749,63 69.593,64 0.674,65 6.576,66 12.787,67 1.545,68 1.137,69 2,70 2,71 5.6}
{0 CHEMBL1986781,1 1,2 13.666,3 -0.132,4 1,5 1,7 30.45,8 -0.277,9 -0.031,10 4.924,11 1.149,12 0.71,13 0.901,14 256.058,15 1.754,16 199.259,17 1.69,18 18.58,19 1,20 263.668,21 1.721,22 5,23 1.709,24 1.478,25 0.105,26 1.854,27 1.136,28 42.3,29 1.906,30 4,31 5.252,32 0.947,33 2,34 3.124,35 5.071,36 9,37 8.454,38 5.107,39 296.423,40 52,41 1.847,42 6,43 6,44 0.063,45 0.8,46 1.352,47 0.673,48 10,49 0.911,50 11.615,51 5.071,52 3.727,53 22,54 4.524,55 3.714,56 4,57 3.627,58 1.315,60 87.738,61 2.57,62 5.109,63 72.778,64 0.657,65 7.276,66 18.854,67 1.948,68 1.376,69 3,70 3,71 5.8}
{0 CHEMBL1986869,2 12.894,3 0.111,5 1,7 17.525,8 0.017,9 0.083,10 4.629,11 0.71,12 0.66,13 0.605,14 175.911,15 1.559,16 194.648,17 1.679,18 13.107,20 181.911,21 1.66,22 4,23 1.554,24 1.525,25 0.129,27 1.111,28 44.7,29 1.734,31 4.883,32 0.695,35 4.787,36 8,37 8.175,38 5.012,39 199.421,40 38,41 1.745,42 5,43 1,44 0.032,45 0.4,46 1.077,47 0.759,48 4,49 0.831,50 6.843,51 4.86,52 3.733,53 22,54 4.524,55 3.754,56 3,57 3.61,58 0.941,59 99.46,60 101.265,61 2.463,62 4.549,63 101.265,64 0.719,65 7.026,66 11.835,67 1.62,68 1.062,69 3,70 3,71 5.8}
{0 CHEMBL1986899,1 1,2 4.443,3 0.02,7 17.981,8 -0.023,9 0.032,10 3.985,11 0.93,12 0.602,13 0.588,14 155.402,15 1.743,16 173.728,17 1.541,18 13.765,20 180.621,21 1.525,22 3,23 1.71,24 1.296,25 0.124,27 1.119,28 48.7,29 1.862,30 1,31 4.111,32 0.88,33 1,34 0.722,35 4.631,36 3,37 7.106,38 4.652,39 206.131,40 39,41 1.872,42 2,43 2,44 0.033,45 0.6,46 1.181,47 0.693,48 12,49 0.99,50 7.475,51 4.702,52 3.669,53 18,54 4.248,55 3.669,56 3,57 3.441,58 1.045,60 49.756,61 2.417,62 4.745,63 34.796,64 0.657,65 6.075,66 13.06,67 1,68 1.062,69 1,70 1,71 5.6}
{0 CHEMBL1986943,1 1,2 13.216,3 0.025,4 1,5 1,7 20.57,8 -0.141,9 0.045,10 4.612,11 0.933,12 0.688,13 0.664,14 193.722,15 1.718,16 157.016,17 1.607,18 13.245,19 1,20 206.477,21 1.624,22 4,23 1.675,24 1.385,25 0.119,27 1.132,28 40.5,29 1.878,30 4,31 4.779,32 0.861,34 3.422,35 4.916,36 7,37 7.826,38 4.811,39 226.477,40 42,41 1.789,42 5,43 6,44 0.011,45 0.8,46 1.16,47 0.683,48 5,49 0.825,50 7.575,51 4.916,52 3.618,53 16,54 4.087,55 3.605,56 3,57 3.524,58 0.997,59 90.419,60 85.153,61 2.431,62 4.928,63 85.153,64 0.651,65 6.791,66 15.658,67 1.457,68 1.151,69 3,70 3,71 6.7}
{0 CHEMBL1986970,2 12.726,3 -0.071,5 4,7 22.285,8 -0.01,9 -0.023,10 4.765,11 1.108,12 0.647,13 0.809,14 243.029,15 1.655,16 205.677,17 1.681,18 16.403,19 2,20 263.029,21 1.704,22 4,23 1.605,24 1.453,25 0.117,26 1.629,27 1.132,28 41.2,29 1.884,30 3,31 5.056,32 0.963,33 3,34 1.395,35 5.157,36 8,37 8.194,38 5.043,39 289.294,40 51,41 1.855,42 6,43 5,44 0.077,45 0.8,46 1.453,47 0.667,48 20,49 1.077,50 10.489,51 5.211,52 3.68,53 22,54 4.524,55 3.645,56 3,57 3.551,58 1.341,59 119.2,60 71.43,61 2.527,62 5.099,63 71.43,64 0.643,65 7.002,66 19.44,67 1.59,68 1.418,69 3,70 3,71 5.8}
{0 CHEMBL1987007,2 4.362,3 0.057,7 22.977,8 0.015,9 0.044,10 4.391,11 0.903,12 0.646,13 0.693,14 193.195,15 1.584,16 143.891,17 1.582,18 14.036,19 1,20 204.705,21 1.595,22 4,23 1.562,24 1.444,25 0.133,26 2.3,27 1.124,28 40.9,29 1.711,30 4,31 4.736,32 0.895,33 2,34 4.107,35 4.652,36 6,37 7.728,38 4.82,39 240.215,40 44,41 1.677,42 4,43 6,44 0.073,45 0.8,46 1.306,47 0.687,48 14,49 0.825,50 9.002,51 4.715,52 3.695,53 16,54 4.087,55 3.697,56 3,57 3.522,58 1.181,60 54.461,61 2.444,62 5.005,63 54.461,64 0.641,65 6.831,66 19.072,67 1.266,68 1.376,69 1,70 1,71 5.8}
{0 CHEMBL1987009,2 4.336,3 0.071,5 1,7 15.608,8 0.113,9 0.053,10 4.264,11 0.819,12 0.625,13 0.614,14 183.355,15 1.598,16 182.412,17 1.588,18 12.058,19 1,20 212.574,21 1.605,22 4,23 1.58,24 1.46,25 0.123,27 1.11,28 46.5,29 1.73,30 1,31 4.71,32 0.794,33 1,34 0.448,35 4.944,36 6,37 7.827,38 4.999,39 233.329,40 43,41 1.686,42 3,43 2,44 0.057,45 0.6,46 1.212,47 0.719,48 15,49 0.821,50 8.913,51 5.083,52 3.76,53 22,54 4.524,55 3.786,56 3,57 3.633,58 1.181,60 51.337,61 2.575,62 4.746,63 51.337,64 0.683,65 6.898,66 14.812,67 1.432,68 1.263,69 1,70 1,71 5.8}
{0 CHEMBL1987034,1 2,2 8.567,3 -0.055,4 1,5 5,7 42.574,8 -0.107,9 0.046,10 4.533,11 0.988,12 0.647,13 0.711,14 199.46,15 1.703,16 257.585,17 1.67,18 27.039,19 2,20 223.46,21 1.64,22 3,23 1.671,24 1.449,25 0.15,27 1.124,28 40.9,29 1.853,30 1,31 4.575,32 0.771,33 1,34 -0.022,35 5.079,36 11,37 7.501,38 4.858,39 240.215,40 44,41 1.713,42 6,43 1,44 0.03,45 0.4,46 1.181,47 0.732,48 10,49 0.782,50 7.454,51 5.141,52 3.673,53 21,54 4.459,55 3.679,56 3,57 3.589,58 1.102,60 131.943,61 2.501,62 4.762,63 177.897,64 0.707,65 6.423,66 9.88,67 1.837,68 1.149,69 2,70 2,71 9.1}
{0 CHEMBL1987054,1 1,2 18.349,3 -0.06,5 1,7 35.541,8 -0.122,9 0.007,10 5.108,11 1.07,12 0.686,13 1.061,14 352.469,15 1.892,16 257.784,17 1.895,18 30.233,19 2,20 373.978,21 1.916,22 6,23 1.842,24 1.736,25 0.077,27 1.131,28 40.6,29 1.998,30 6,31 5.595,32 0.929,33 2,34 5.068,35 5.42,36 11,37 8.678,38 5.38,39 421.488,40 69,41 1.991,42 7,43 10,44 0.045,45 0.7,46 1.513,47 0.672,48 15,49 1.137,50 17.455,51 5.478,52 3.771,53 26,54 4.755,55 3.771,56 4,57 3.744,58 1.492,59 345.132,60 119.704,61 2.688,62 5.453,63 119.704,64 0.644,65 7.504,66 27.786,67 2.307,68 1.536,69 4,70 4,71 7.5}
{0 CHEMBL1987430,2 7.681,3 -0.015,7 25.872,8 -0.087,9 0.018,10 4.615,11 1.037,12 0.648,13 0.88,14 203.054,15 1.651,16 186.647,17 1.618,18 19.816,20 224.705,21 1.644,22 3,23 1.595,24 1.411,25 0.154,27 1.149,28 43.2,29 1.847,30 2,31 4.5,32 0.909,34 1.876,35 5.107,36 8,37 7.144,38 4.846,39 240.215,40 44,41 1.892,42 4,43 4,44 0.013,45 0.8,46 1.165,47 0.668,48 7,49 0.967,50 8.404,51 5.152,52 3.518,53 18,54 4.248,55 3.526,56 2,57 3.545,58 1.112,60 114.473,61 2.45,62 4.848,63 69.593,64 0.663,65 6.617,66 14.81,67 1.461,68 1.188,69 2,70 2,71 5.6}
{0 CHEMBL1987535,2 4.338,3 0.028,5 1,7 12.098,8 -0.114,9 0.033,10 4.914,11 0.914,12 0.66,13 0.696,14 221.133,15 1.662,16 155.511,17 1.645,18 13.726,19 1,20 237.133,21 1.655,22 4,23 1.621,24 1.445,25 0.132,26 1.866,27 1.121,28 42.2,29 1.838,30 5,31 4.615,32 0.886,33 3,34 3.818,35 5.27,36 6,37 7.048,38 4.816,39 247.133,40 45,41 1.846,42 4,43 5,44 0.068,45 0.8,46 1.296,47 0.694,48 11,49 1.014,50 11.723,51 5.27,52 3.662,53 17,54 4.17,55 3.655,56 3,57 3.451,58 1.192,59 109.276,60 54.706,61 2.342,62 4.897,63 54.706,64 0.649,65 6.419,66 18.711,67 1.543,68 1.296,69 1,70 1,71 5.6}
{0 CHEMBL1987648,1 1,2 18.095,3 -0.059,4 1,7 16.338,8 -0.211,9 -0.003,10 4.9,11 1.104,12 0.675,13 0.898,14 259.705,15 1.79,16 216.492,17 1.855,18 13.037,19 1,20 269.315,21 1.861,22 4,23 1.736,24 1.693,25 0.102,27 1.137,28 41.5,29 1.975,30 2,31 5.273,32 0.959,33 2,34 0.571,35 5.081,36 8,37 8.611,38 5.102,39 303.58,40 53,41 1.953,42 6,43 6,44 0.039,45 0.8,46 1.409,47 0.666,48 9,49 1.032,50 11.691,51 5.081,52 3.687,53 22,54 4.524,55 3.679,56 3,57 3.688,58 1.332,59 119.644,60 101.399,61 2.622,62 5.286,63 86.439,64 0.641,65 7.36,66 19.67,67 1.558,68 1.311,69 4,70 4,71 5.8}
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{0 CHEMBL1987756,2 4.032,3 -0.05,7 8.718,8 -0.08,9 0.033,10 4.661,11 0.996,12 0.602,13 0.678,14 219.066,15 1.673,16 183.313,17 1.73,18 10.974,20 245.066,21 1.7,22 3,23 1.652,24 1.537,25 0.162,27 1.115,28 42.6,29 1.895,30 3,31 4.159,32 0.861,33 3,34 1.518,35 5.214,36 7,37 6.691,38 4.881,39 261.066,40 47,41 1.851,42 3,43 3,44 0.046,45 0.6,46 1.193,47 0.719,48 16,49 1.079,50 10.703,51 5.214,52 3.635,53 20,54 4.392,55 3.714,56 2,57 3.586,58 1.181,60 51.201,61 2.538,62 4.918,63 97.155,64 0.669,65 6.484,66 15.569,67 1.536,68 1.143,69 1,70 1,71 5.8}
{0 CHEMBL1987815,2 8.32,3 0.111,7 2.351,8 0.088,9 0.073,10 4.244,11 0.715,12 0.662,13 0.43,14 106.096,15 1.403,16 135.403,17 1.519,18 2.824,19 1,20 114.096,21 1.539,22 3,23 1.373,24 1.283,25 0.185,27 1.118,28 44,29 1.562,31 4.248,32 0.685,35 4.564,36 6,37 7.305,38 4.691,39 116.096,40 25,41 1.549,42 4,44 0.03,45 0.4,46 0.584,47 0.746,48 4,49 0.6,50 3.686,51 4.564,52 3.354,53 16,54 4.087,55 3.33,56 2,57 3.428,58 0.351,59 58.512,60 67.51,61 2.317,62 3.975,63 67.51,64 0.722,65 6.78,66 6.288,67 0.618,68 0.653,69 2,70 2,71 4.1}
{0 CHEMBL1987910,2 4.126,3 0.118,7 22.606,8 0.027,9 0.099,10 4.424,11 0.757,12 0.642,13 0.897,14 199.094,15 1.808,16 220.439,17 1.565,18 17.508,20 225.624,21 1.599,22 4,23 1.786,24 1.407,25 0.135,27 1.134,28 46.7,29 1.915,31 4.828,32 0.722,35 5.014,36 9,37 7.94,38 5.087,39 247.133,40 45,41 1.869,42 4,43 1,44 0.007,45 0.4,46 1.204,47 0.717,48 9,49 0.989,50 7.632,51 5.164,52 3.766,53 23,54 4.585,55 3.776,56 3,57 3.661,58 1.181,59 133.971,60 130.585,61 2.6,62 4.89,63 85.704,64 0.707,65 6.923,66 11.868,67 1.544,68 1.248,69 1,70 1,71 5.8}
{0 CHEMBL1987982,3 0.027,7 12.342,8 -0.011,9 0.051,10 4.516,11 0.957,12 0.644,13 0.823,14 194.168,15 1.751,16 158.92,17 1.631,18 12.346,19 1,20 211.82,21 1.641,22 4,23 1.715,24 1.416,25 0.153,27 1.139,28 46.5,29 1.878,30 3,31 4.97,32 0.857,33 2,34 2.794,35 4.926,36 6,37 8.277,38 4.904,39 233.329,40 43,41 1.871,42 2,43 4,44 0.023,45 0.8,46 1.181,47 0.677,48 12,49 0.98,50 10.265,51 4.99,52 3.635,53 17,54 4.17,55 3.637,56 3,57 3.78,58 1.092,59 105.376,60 79.677,61 2.455,62 4.843,63 34.796,64 0.666,65 7.04,66 15.865,67 1.512,68 1.211,71 6}
{0 CHEMBL1987998,3 -0.011,7 24.247,8 -0.098,9 0.016,10 4.199,11 0.972,12 0.63,13 0.53,14 172.15,15 1.774,16 105.869,17 1.459,18 18.719,20 192.15,21 1.469,22 3,23 1.735,24 1.225,25 0.15,26 2.074,27 1.117,28 43.9,29 1.91,30 4,31 4.205,32 0.904,33 4,34 2.334,35 4.687,36 5,37 6.483,38 4.466,39 219.66,40 41,41 1.908,42 1,43 5,44 0.015,45 1,46 1.098,47 0.685,48 16,49 1.095,50 8.738,51 4.821,52 3.68,53 13,54 3.807,55 3.672,56 3,57 3.515,58 1.079,60 3.124,61 2.49,62 4.848,63 3.124,64 0.652,65 5.52,66 14.951,67 1.444,68 1.062,71 5.6}
{0 CHEMBL1988075,2 8.833,3 0.099,7 24.25,8 0.035,9 0.08,10 4.653,11 0.771,12 0.64,13 0.861,14 251.28,15 1.872,16 271.877,17 1.841,18 18.938,20 284.499,21 1.847,22 5,23 1.845,24 1.71,25 0.094,27 1.116,28 48.1,29 1.973,31 5.273,32 0.746,35 5.269,36 8,37 8.697,38 5.28,39 310.764,40 54,41 1.976,42 5,43 1,44 0.03,45 0.6,46 1.303,47 0.725,48 10,49 1.045,50 10.68,51 5.482,52 3.812,53 29,54 4.907,55 3.811,56 4,57 3.693,58 1.183,59 147.558,60 117.45,61 2.623,62 5.042,63 102.49,64 0.696,65 7.365,66 16.001,67 2.266,68 1.312,69 2,70 2,71 5.8}
{0 CHEMBL1988076,1 1,2 14.178,3 0.015,4 1,5 1,7 27.402,8 -0.111,9 0.027,10 4.487,11 0.843,12 0.662,13 0.87,14 264.753,15 1.882,16 284.845,17 1.902,18 17.6,19 2,20 316.056,21 1.908,22 6,23 1.857,24 1.766,25 0.085,27 1.109,28 49.2,29 1.974,31 5.425,32 0.786,35 5.357,36 8,37 8.793,38 5.397,39 347.076,40 59,41 1.992,42 6,43 1,44 0.058,45 0.3,46 1.362,47 0.733,48 14,49 1.068,50 12.316,51 5.666,52 3.851,53 34,54 5.129,55 3.852,56 5,57 3.815,58 1.274,60 87.665,61 2.764,62 5.118,63 87.665,64 0.699,65 7.478,66 18.394,67 2.13,68 1.418,69 3,70 3,71 5.6}
{0 CHEMBL1988141,3 -0.031,7 27.194,8 -0.196,9 0.007,10 4.272,11 1.212,12 0.65,13 0.568,14 166.621,15 1.579,16 102.709,17 1.429,18 20.581,20 179.376,21 1.429,22 2,23 1.523,24 1.153,25 0.177,26 1.704,27 1.14,28 35.9,29 1.801,30 5,31 3.932,32 1.057,33 4,34 3.149,35 4.599,36 6,37 5.083,38 4.223,39 206.131,40 39,41 1.841,42 3,43 6,44 0.01,45 1,46 1.137,47 0.627,48 11,49 0.999,50 8.714,51 4.599,52 3.438,53 8,54 3.17,55 3.433,56 2,57 3.328,58 1.005,60 39.146,61 2.28,62 4.766,63 39.146,64 0.601,65 5.418,66 16.047,67 1.146,68 1.136,71 6.3}
{0 CHEMBL1988153,2 11.903,3 -0.015,5 2,7 13.764,8 -0.023,9 -0.006,10 4.417,11 0.879,12 0.663,13 0.753,14 158.998,15 1.527,16 160.562,17 1.585,18 13.35,20 168.608,21 1.586,22 4,23 1.536,24 1.409,25 0.154,27 1.137,28 47.2,29 1.703,31 4.942,32 0.791,35 4.684,36 9,37 8.174,38 5.002,39 186.117,40 36,41 1.697,42 3,43 2,44 0.034,45 0.4,46 1.012,47 0.728,48 5,49 0.751,50 4.78,51 4.684,52 3.566,53 21,54 4.459,55 3.51,56 3,57 3.74,58 0.951,59 105.504,60 94.992,61 2.657,62 4.531,63 50.112,64 0.735,65 7.008,66 7.68,67 1.502,68 1.062,69 3,70 3,71 5.8}
{0 CHEMBL1988163,1 1,2 8.843,3 -0.069,4 1,5 4,7 24.777,8 -0.133,9 0.048,10 4.139,11 1.125,12 0.663,13 0.679,14 169.685,15 1.773,16 210.881,17 1.678,18 18.723,19 2,20 198.905,21 1.641,22 4,23 1.741,24 1.459,25 0.161,27 1.12,28 43.9,29 1.9,31 4.844,32 0.811,35 4.851,36 8,37 8.283,38 5.035,39 219.66,40 41,41 1.837,42 5,44 0.198,45 0.4,46 1.181,47 0.717,48 10,49 0.917,50 6.884,51 5.065,52 3.738,53 24,54 4.644,55 3.742,56 3,57 3.581,58 1.057,59 101.651,60 84.772,61 2.494,62 4.747,63 84.772,64 0.692,65 7.057,66 12.916,67 1.351,68 1.062,69 2,70 2,71 7.9}
{0 CHEMBL1988173,3 0.099,7 21.657,8 0.18,9 0.07,10 3.974,11 0.703,12 0.595,13 0.67,14 194.75,15 1.824,16 206.607,17 1.675,18 19.132,20 226.856,21 1.713,22 3,23 1.794,24 1.426,25 0.141,27 1.113,28 44.9,29 1.926,31 4.277,32 0.767,35 4.63,36 7,37 6.345,38 4.834,39 275.121,40 49,41 1.961,42 3,43 2,44 -0.01,45 0.6,46 1.181,47 0.72,48 13,49 1.01,50 12.197,51 4.742,52 3.743,53 20,54 4.392,55 3.753,56 3,57 3.278,58 1.181,60 53.787,61 2.278,62 5.014,63 53.787,64 0.679,65 6.024,66 14.639,67 1.668,68 1.163,71 5.8}
{0 CHEMBL1988300,2 9.007,3 0.165,7 5,8 0.153,9 0.122,10 4.603,11 0.674,12 0.643,13 0.679,14 207.133,15 1.849,16 252.186,17 1.713,18 6.325,19 1,20 233.133,21 1.735,22 5,23 1.828,24 1.546,25 0.103,27 1.109,28 48.9,29 1.944,31 5.124,32 0.678,35 5.181,36 6,37 8.728,38 5.261,39 247.133,40 45,41 1.912,42 5,44 0.031,45 0.6,46 1.181,47 0.739,48 10,49 1.041,50 8.561,51 5.225,52 3.775,53 27,54 4.807,55 3.785,56 3,57 3.679,58 1.151,59 215.386,60 116.151,61 2.648,62 4.84,63 116.151,64 0.699,65 7.398,66 13.495,67 1.532,68 1.161,69 2,70 2,71 5.8}
{0 CHEMBL1988370,2 8.955,3 -0.026,5 3,7 25.865,8 -0.138,9 0.026,10 4.668,11 1.073,12 0.669,13 0.98,14 303.415,15 1.893,16 216.908,17 1.883,18 25.129,19 1,20 341.454,21 1.897,22 6,23 1.866,24 1.729,25 0.087,26 2.626,27 1.125,28 43.1,29 1.986,30 8,31 5.451,32 0.963,33 4,34 9.415,35 5.253,36 6,37 8.338,38 5.157,39 391.454,40 65,41 2.002,42 5,43 10,44 0.079,45 0.8,46 1.498,47 0.667,48 18,49 1.16,50 19.726,51 5.345,52 3.798,53 22,54 4.524,55 3.804,56 5,57 3.651,58 1.44,59 139.779,60 71.492,61 2.588,62 5.396,63 71.492,64 0.626,65 7.18,66 27.205,67 1.692,68 1.523,69 2,70 2,71 5.8}
{0 CHEMBL1988387,2 8.655,3 0.057,5 1,7 28.448,8 -0.003,9 0.055,10 4.865,11 0.85,12 0.66,13 1.016,14 272.457,15 1.844,16 266.736,17 1.776,18 23.089,19 1,20 290.457,21 1.8,22 5,23 1.825,24 1.508,25 0.089,27 1.131,28 44.6,29 1.932,31 5.308,32 0.784,35 5.187,36 11,37 8.619,38 5.288,39 325.212,40 56,41 1.893,42 6,43 2,44 0.031,45 0.3,46 1.29,47 0.706,48 11,49 1.054,50 10.572,51 5.33,52 3.803,53 28,54 4.858,55 3.801,56 4,57 3.697,58 1.213,59 164.949,60 134.064,61 2.626,62 5.074,63 104.144,64 0.692,65 7.384,66 17.929,67 2.295,68 1.476,69 2,70 2,71 6.2}
{0 CHEMBL1988437,2 8.709,3 0.077,7 5.913,8 0.09,9 0.052,10 4.508,11 0.794,12 0.616,13 0.663,14 207.355,15 1.831,16 220.503,17 1.705,18 7.851,19 1,20 242.574,21 1.735,22 4,23 1.798,24 1.509,25 0.148,27 1.109,28 47.8,29 1.933,31 4.82,32 0.785,35 5.273,36 6,37 8.249,38 5.057,39 254.084,40 46,41 1.936,42 4,43 1,44 0.053,45 0.6,46 1.196,47 0.727,48 15,49 0.976,50 10.807,51 5.42,52 3.77,53 24,54 4.644,55 3.767,56 3,57 3.497,58 1.109,59 111.673,60 68.122,61 2.446,62 4.747,63 68.122,64 0.689,65 6.95,66 14.352,67 1.509,68 1.196,69 2,70 2,71 5.9}
{0 CHEMBL1988537,2 4.165,3 -0.016,7 18.34,8 -0.137,10 4.281,11 0.802,12 0.65,13 0.476,14 162.666,15 1.715,16 149.947,17 1.545,18 16.56,20 184.666,21 1.543,22 4,23 1.688,24 1.251,25 0.165,26 1.669,27 1.099,28 50,29 1.824,31 5.081,32 0.759,35 4.86,36 6,37 7.732,38 4.896,39 199.421,40 38,41 1.784,42 2,43 1,44 0.033,45 0.4,46 1.111,47 0.763,48 11,49 0.884,50 8.302,51 4.912,52 3.663,53 19,54 4.322,55 3.666,56 2,57 3.594,58 0.993,60 19.91,61 2.478,62 4.615,63 19.91,64 0.728,65 6.714,66 9.796,67 1.787,68 1.023,69 1,70 1,71 5.8}
{0 CHEMBL1988581,3 -0.148,5 1,7 24.013,8 -0.423,9 -0.057,10 4.179,11 1.266,12 0.676,13 0.48,14 133.735,15 1.431,16 91.733,17 1.347,18 17.999,20 135.735,21 1.351,22 2,23 1.349,24 1.075,25 0.209,26 3.293,27 1.138,28 37.5,29 1.658,30 1,31 4.025,32 1.066,33 1,34 0.603,35 4.242,36 5,37 5.844,38 4.205,39 160,40 32,41 1.692,42 3,43 4,44 0.038,45 1,46 1.035,47 0.64,48 10,49 0.77,50 6.386,51 4.242,52 3.251,53 5,54 2.585,55 3.248,56 1,57 3.086,58 0.641,60 23.034,61 2.018,62 4.694,63 23.034,64 0.614,65 5.666,66 12.902,67 0.586,68 1.064,71 7.1}
{0 CHEMBL1988594,2 8.068,3 0.111,7 31.522,8 0.008,9 0.09,10 4.107,11 0.77,12 0.664,13 0.73,14 184.83,15 1.805,16 247.709,17 1.622,18 22.405,20 206.869,21 1.654,22 4,23 1.778,24 1.471,25 0.113,27 1.12,28 44.4,29 1.927,31 4.654,32 0.724,35 4.597,36 9,37 7.369,38 5.03,39 247.133,40 45,41 1.839,42 6,44 0.018,45 0.4,46 1.181,47 0.72,48 9,49 0.949,50 6.243,51 5.047,52 3.8,53 24,54 4.644,55 3.804,56 3,57 3.572,58 1.179,59 133.859,60 120.5,61 2.516,62 4.816,63 120.5,64 0.697,65 6.619,66 12.53,67 1.757,68 1.156,69 2,70 2,71 5.8}
{0 CHEMBL1988608,2 3.964,3 0.104,5 1,7 34.011,8 0.052,9 0.078,10 4.772,11 0.875,12 0.652,13 0.696,14 214.727,15 1.754,16 194.854,17 1.7,18 22.035,19 1,20 236.379,21 1.703,22 4,23 1.741,24 1.453,25 0.116,27 1.125,28 44.4,29 1.864,30 1,31 4.812,32 0.789,33 1,34 0.264,35 5.253,36 8,37 8.108,38 5.025,39 247.133,40 45,41 1.795,42 5,43 2,44 -0.004,45 0.6,46 1.183,47 0.688,48 9,49 0.906,50 8.459,51 5.342,52 3.749,53 20,54 4.392,55 3.726,56 3,57 3.704,58 1.165,59 121.629,60 84.908,61 2.674,62 4.801,63 84.908,64 0.676,65 6.885,66 12.698,67 1.826,68 1.195,69 1,70 1,71 6.4}
{0 CHEMBL1988692,3 0.058,7 17.258,8 0.071,9 0.054,10 4.305,11 0.959,12 0.638,13 0.567,14 154.998,15 1.614,16 161.547,17 1.48,18 11.78,19 1,20 166.608,21 1.549,22 3,23 1.548,24 1.259,25 0.166,27 1.13,28 41.7,29 1.793,31 4.369,32 0.886,35 4.628,36 5,37 7.459,38 4.653,39 186.117,40 36,41 1.775,42 4,43 3,44 0.034,45 0.6,46 1.224,47 0.668,48 7,49 0.89,50 6.545,51 4.684,52 3.422,53 13,54 3.807,55 3.433,56 2,57 3.198,58 1.052,59 75.067,60 69.348,61 2.144,62 4.662,63 69.348,64 0.638,65 6.572,66 13.082,67 1.244,68 1.187,71 5.6}
{0 CHEMBL1988717,2 13.068,3 0.014,7 29.401,8 -0.045,9 0.038,10 4.781,11 0.941,12 0.674,13 1.127,14 262.955,15 1.764,16 279.887,17 1.794,18 22.502,19 2,20 289.71,21 1.814,22 5,23 1.729,24 1.592,25 0.112,27 1.148,28 43.6,29 1.897,31 5.252,32 0.814,35 5.267,36 12,37 8.63,38 5.305,39 317.975,40 55,41 1.836,42 8,43 2,44 0.017,45 0.4,46 1.265,47 0.684,48 11,49 0.968,50 9.62,51 5.427,52 3.824,53 28,54 4.858,55 3.82,56 4,57 3.912,58 1.205,59 166.349,60 166.851,61 2.887,62 5.146,63 121.971,64 0.686,65 7.382,66 15.706,67 2.142,68 1.408,69 3,70 3,71 7.3}
{0 CHEMBL1988805,2 8.446,3 0.074,5 1,7 8.38,8 -0.11,9 0.06,10 4.304,11 0.727,12 0.691,13 0.425,14 103.284,15 1.356,16 171.027,17 1.33,18 10.767,19 1,20 108.039,21 1.348,22 3,23 1.32,24 1.184,25 0.214,27 1.118,28 45.8,29 1.516,31 4.304,32 0.663,35 4.502,36 6,37 7.535,38 4.745,39 110.039,40 24,41 1.468,42 5,44 0.021,45 0.4,46 0.681,47 0.768,48 3,49 0.51,50 3.54,51 4.502,52 3.315,53 16,54 4.087,55 3.29,56 2,57 3.206,58 0.528,59 58.198,60 99.427,61 2.088,62 4.047,63 99.427,64 0.743,65 6.882,66 6.055,67 0.618,68 0.791,69 2,70 2,71 5.6}
{0 CHEMBL1988838,1 2,2 8.646,3 -0.021,4 1,5 5,7 45.114,8 -0.061,9 0.071,10 4.694,11 1.174,12 0.65,13 0.806,14 234.683,15 1.754,16 256.481,17 1.704,18 28.574,19 2,20 258.683,21 1.733,22 3,23 1.716,24 1.456,25 0.146,27 1.133,28 38,29 1.902,30 1,31 4.615,32 0.87,33 1,34 -0.195,35 5.174,36 11,37 7.501,38 4.858,39 282.193,40 50,41 1.867,42 6,43 2,44 0.158,45 0.5,46 1.191,47 0.677,48 10,49 0.947,50 9.309,51 5.229,52 3.692,53 21,54 4.459,55 3.682,56 3,57 3.597,58 1.181,60 133.781,61 2.522,62 4.978,63 133.781,64 0.657,65 6.423,66 17.988,67 1.617,68 1.278,69 2,70 2,71 8.4}
{0 CHEMBL1989029,2 3.968,3 0.024,7 19.632,8 0.046,9 0.035,10 4.343,11 1.001,12 0.638,13 0.518,14 152.015,15 1.572,16 141.319,17 1.569,18 15.478,19 1,20 160.015,21 1.619,22 3,23 1.516,24 1.264,25 0.149,27 1.126,28 42.9,29 1.735,31 4.357,32 0.889,35 4.572,36 5,37 7.422,38 4.636,39 179.525,40 35,41 1.717,42 3,43 3,44 0.035,45 0.6,46 1.07,47 0.671,48 6,49 0.826,50 6.552,51 4.629,52 3.396,53 13,54 3.807,55 3.408,56 2,57 3.137,58 1.051,59 72.601,60 50.112,61 2.026,62 4.523,63 50.112,64 0.647,65 6.428,66 12.395,67 1.226,68 1.072,69 1,70 1,71 5.8}
{0 CHEMBL1989043,1 1,2 4.295,3 0.028,5 1,7 45.43,8 -0.121,9 0.03,10 4.331,11 0.82,12 0.667,13 0.78,14 220.887,15 1.709,16 182.116,17 1.628,18 29.249,19 1,20 242.539,21 1.655,22 4,23 1.639,24 1.465,25 0.112,26 4.698,27 1.122,28 41.2,29 1.909,30 4,31 4.762,32 0.816,33 4,34 4.153,35 4.756,36 9,37 7.465,38 4.934,39 289.294,40 51,41 1.908,42 5,43 5,44 0.019,45 0.8,46 1.263,47 0.72,48 18,49 1.052,50 11.125,51 4.834,52 3.689,53 18,54 4.248,55 3.738,56 4,57 3.73,58 1.181,60 73.942,61 2.512,62 5.095,63 73.942,64 0.675,65 6.406,66 18.71,67 1.945,68 1.376,69 1,70 1,71 5.6}
{0 CHEMBL1989267,2 4.392,3 0.008,5 1,7 28.66,8 -0.108,9 0.025,10 5.159,11 0.97,12 0.652,13 1.099,14 376.573,15 1.852,16 282.557,17 1.908,18 25.219,19 1,20 416.838,21 1.908,22 5,23 1.835,24 1.662,25 0.081,26 2.005,27 1.122,28 42.5,29 1.958,30 2,31 5.447,32 0.905,33 2,34 1.325,35 5.71,36 10,37 8.671,38 5.447,39 451.857,40 73,41 1.924,42 6,43 6,44 0.055,45 0.5,46 1.578,47 0.684,48 26,49 1.127,50 18.137,51 5.738,52 3.791,53 29,54 4.907,55 3.792,56 3,57 3.869,58 1.538,59 381.197,60 90.728,61 2.795,62 5.455,63 90.728,64 0.648,65 7.527,66 29.011,67 2.265,68 1.533,69 1,70 1,71 5.6}
{0 CHEMBL1989423,2 4.018,3 0.113,7 10.294,8 0.25,9 0.078,10 3.722,11 0.759,12 0.625,13 0.302,14 74.439,15 1.237,16 95.126,17 1.154,18 7.276,19 1,20 82.439,21 1.123,22 3,23 1.145,24 0.961,25 0.24,27 1.112,28 50,29 1.551,30 1,31 3.761,32 0.741,34 1.03,35 4.122,36 2,37 6.366,38 4.306,39 86.439,40 20,41 1.392,42 2,43 1,44 0.062,45 0.6,46 0.302,47 0.715,48 4,49 0.405,50 1.834,51 4.222,52 2.9,53 11,54 3.585,55 2.903,56 1,57 2.724,58 0.222,59 26.851,60 33.326,61 1.716,62 3.972,63 33.326,64 0.681,65 6.037,66 6.414,67 -0.738,68 0.051,69 1,70 1,71 4.8}
{0 CHEMBL1989471,2 8.828,3 0.039,7 6.882,8 -0.049,9 0.041,10 4.265,11 0.972,12 0.618,13 0.48,14 149.26,15 1.54,16 122.376,17 1.433,18 9.433,20 157.26,21 1.404,22 3,23 1.482,24 1.161,25 0.16,27 1.117,28 45.7,29 1.731,31 4.682,32 0.909,35 4.493,36 3,37 8.248,38 4.856,39 179.525,40 35,41 1.779,42 2,43 4,44 0.033,45 0.8,46 1.165,47 0.68,48 4,49 0.903,50 7.229,51 4.493,52 3.396,53 16,54 4.087,55 3.41,56 1,57 3.464,58 0.77,60 33.571,61 2.45,62 4.722,63 33.571,64 0.641,65 7.214,66 12.941,67 1.04,68 1.15,69 2,70 2,71 6.2}
{0 CHEMBL1989474,2 12.552,3 -0.089,7 3.162,8 -0.119,9 -0.035,10 4.228,11 1.007,12 0.658,13 0.549,14 126.842,15 1.48,16 155.507,17 1.389,18 4.79,19 1,20 134.452,21 1.402,22 3,23 1.391,24 1.258,25 0.151,27 1.133,28 46.7,29 1.763,31 4.263,32 0.875,35 4.482,36 5,37 7.196,38 4.653,39 147.207,40 30,41 1.714,42 4,43 1,44 0.059,45 0.6,46 1.052,47 0.7,48 8,49 0.733,50 5.565,51 4.482,52 3.482,53 17,54 4.17,55 3.451,56 3,57 3.264,58 0.771,60 66.971,61 2.182,62 4.324,63 52.011,64 0.686,65 6.427,66 8.779,67 1,68 0.996,69 3,70 3,71 5.8}
{0 CHEMBL1989646,2 12.66,3 0.104,5 2,7 15.495,8 0.251,9 0.065,10 4.272,11 0.852,12 0.63,13 0.658,14 166.621,15 1.563,16 206.874,17 1.643,18 12.138,19 2,20 186.621,21 1.697,22 4,23 1.509,24 1.351,25 0.125,27 1.13,28 43.6,29 1.756,30 1,31 4.771,32 0.811,33 1,34 0.704,35 4.785,36 6,37 8.012,38 4.961,39 206.131,40 39,41 1.752,42 6,43 2,44 0.055,45 0.6,46 1.181,47 0.688,48 10,49 0.879,50 7.788,51 4.856,52 3.652,53 21,54 4.459,55 3.621,56 3,57 3.54,58 1.06,59 89.691,60 101.203,61 2.523,62 4.8,63 101.203,64 0.661,65 6.918,66 12.872,67 1.31,68 1.115,69 3,70 3,71 6.8}
{0 CHEMBL1989708,2 8.801,3 0.103,7 27.679,8 0.07,9 0.073,10 5.111,11 0.839,12 0.639,13 0.955,14 316.896,15 1.846,16 265.865,17 1.889,18 22.442,19 1,20 340.896,21 1.898,22 5,23 1.828,24 1.656,25 0.089,27 1.121,28 43.5,29 1.94,30 1,31 5.342,32 0.82,33 1,34 0.421,35 5.498,36 9,37 8.692,38 5.288,39 369.16,40 62,41 1.907,42 6,43 4,44 0.039,45 0.6,46 1.462,47 0.697,48 11,49 1.122,50 14.49,51 5.607,52 3.812,53 28,54 4.858,55 3.808,56 4,57 3.709,58 1.386,59 159.015,60 104.144,61 2.659,62 5.255,63 104.144,64 0.662,65 7.382,66 22.439,67 2.162,68 1.519,69 2,70 2,71 6}
{0 CHEMBL1989834,2 4.029,3 0.163,7 1.163,8 0.265,9 0.098,10 3.287,11 0.734,12 0.609,13 0.367,14 85.457,15 1.34,16 120.224,17 1.137,18 2.157,19 1,20 105.457,21 1.146,22 3,23 1.276,24 0.966,25 0.181,27 1.11,28 50,29 1.636,31 4.111,32 0.723,35 4.056,36 3,37 7.339,38 4.66,39 122.211,40 26,41 1.459,42 2,44 0.009,45 0.6,46 0.819,47 0.712,48 8,49 0.415,50 4.839,51 4.393,52 3.206,53 16,54 4.087,55 3.183,56 2,57 2.862,58 0.581,59 51.788,60 33.326,61 1.809,62 4.179,63 33.326,64 0.687,65 6.601,66 7.022,67 0.74,68 0.723,69 1,70 1,71 4.7}
{0 CHEMBL1989856,2 4.348,3 0.011,7 6.908,8 -0.133,9 0.026,10 4.28,11 0.882,12 0.658,13 0.402,14 119.851,15 1.254,16 139.448,17 1.406,18 7.146,19 1,20 127.851,21 1.439,22 3,23 1.22,24 1.206,25 0.195,27 1.113,28 50,29 1.494,31 4.771,32 0.764,35 4.566,36 5,37 8.355,38 4.972,39 134.606,40 28,41 1.508,42 3,43 1,44 0.005,45 0.4,46 0.907,47 0.722,48 4,49 0.58,50 4.304,51 4.638,52 3.19,53 17,54 4.17,55 3.162,56 1,57 3.387,58 0.676,59 100.624,60 49.131,61 2.337,62 4.426,63 49.131,64 0.717,65 7.43,66 6.666,67 1.395,68 0.959,69 1,70 1,71 5.8}
{0 CHEMBL1990212,1 1,2 13.024,3 -0.079,5 1,7 26.219,8 -0.049,9 -0.023,10 4.152,11 0.972,12 0.667,13 0.662,14 178.535,15 1.765,16 202.517,17 1.564,18 16.71,19 2,20 205.065,21 1.559,22 4,23 1.727,24 1.231,25 0.112,27 1.124,28 44.2,29 1.898,31 4.934,32 0.846,35 4.769,36 8,37 8.3,38 5.054,39 233.329,40 43,41 1.845,42 5,43 2,44 0.037,45 0.6,46 1.181,47 0.706,48 15,49 0.915,50 7.722,51 5.019,52 3.723,53 22,54 4.524,55 3.713,56 3,57 3.534,58 1.16,59 106.828,60 69.164,61 2.476,62 4.743,63 69.164,64 0.687,65 7.03,66 13.446,67 1.683,68 1.246,69 3,70 3,71 5.9}
{0 CHEMBL1990223,3 -0.008,7 27.602,8 -0.094,9 0.014,10 4.544,11 0.914,12 0.63,13 0.559,14 199.95,15 1.785,16 102.428,17 1.486,18 21.488,20 217.46,21 1.472,22 3,23 1.741,24 1.246,25 0.139,26 2.136,27 1.117,28 43.2,29 1.93,30 4,31 4.304,32 0.879,33 4,34 2.416,35 4.942,36 6,37 6.654,38 4.58,39 240.215,40 44,41 1.937,42 1,43 6,44 0.006,45 1,46 1.082,47 0.698,48 14,49 1.123,50 10.081,51 5.033,52 3.684,53 13,54 3.807,55 3.675,56 3,57 3.735,58 1.079,60 3.124,61 2.574,62 4.95,63 3.124,64 0.661,65 5.62,66 15.995,67 1.778,68 1.14,71 5.6}
{0 CHEMBL1990254,2 4.012,3 0.077,7 11.74,8 0.07,9 0.064,10 3.919,11 0.897,12 0.604,13 0.603,14 168.521,15 1.718,16 209.58,17 1.72,18 8.567,20 198.574,21 1.71,22 3,23 1.683,24 1.481,25 0.138,27 1.117,28 46.5,29 1.849,30 1,31 4.174,32 0.857,33 1,34 0.352,35 4.618,36 4,37 6.982,38 4.707,39 233.329,40 43,41 1.839,42 3,43 2,44 0.016,45 0.6,46 1.181,47 0.688,48 14,49 0.876,50 11.006,51 4.775,52 3.644,53 19,54 4.322,55 3.638,56 3,57 3.622,58 1.181,60 67.693,61 2.628,62 4.84,63 67.693,64 0.651,65 6.211,66 14.379,67 1.128,68 1.062,69 1,70 1,71 5.7}
{0 CHEMBL1990288,1 1,2 13.667,3 -0.08,4 1,5 1,7 18.958,8 -0.179,9 -0.008,10 4.57,11 1.003,12 0.683,13 0.798,14 219.349,15 1.773,16 232.716,17 1.705,18 12.302,19 1,20 244.568,21 1.727,22 5,23 1.732,24 1.499,25 0.098,27 1.124,28 47.9,29 1.913,31 5.198,32 0.853,35 5.095,36 7,37 8.513,38 5.193,39 268.078,40 48,41 1.857,42 5,43 2,44 0.057,45 0.6,46 1.232,47 0.703,48 11,49 0.913,50 10.48,51 5.153,52 3.761,53 27,54 4.807,55 3.748,56 4,57 3.619,58 1.181,60 84.614,61 2.567,62 4.912,63 69.654,64 0.685,65 7.313,66 14.408,67 1.491,68 1.296,69 3,70 3,71 5.8}
{0 CHEMBL1990346,2 4.163,3 0.146,7 3.176,8 0.339,9 0.111,10 3.703,11 0.537,12 0.603,13 0.399,14 99.976,15 1.394,16 149.028,17 1.21,18 4.806,19 1,20 115.627,21 1.221,22 3,23 1.309,24 0.985,25 0.171,27 1.111,28 48.1,29 1.693,31 4.263,32 0.626,35 4.282,36 4,37 7.493,38 4.702,39 128.382,40 27,41 1.543,42 3,44 -0.007,45 0.6,46 0.899,47 0.756,48 7,49 0.452,50 5.7,51 4.385,52 3.229,53 16,54 4.087,55 3.212,56 2,57 3.118,58 0.737,59 57.587,60 66.223,61 1.909,62 4.254,63 112.177,64 0.711,65 6.661,66 4.164,67 0.774,68 0.88,69 1,70 1,71 5.9}
{0 CHEMBL1990482,2 8.375,3 0.085,7 2.351,8 -0.008,9 0.084,10 4.107,11 0.821,12 0.667,13 0.452,14 114.996,15 1.333,16 166.422,17 1.407,18 2.824,19 1,20 124.606,21 1.444,22 3,23 1.278,24 1.103,25 0.177,27 1.123,28 46.4,29 1.578,31 4.357,32 0.732,35 4.45,36 5,37 7.755,38 4.722,39 134.606,40 28,41 1.463,42 4,44 0.001,45 0.4,46 0.928,47 0.706,48 5,49 0.416,50 4.207,51 4.45,52 3.246,53 17,54 4.17,55 3.208,56 2,57 3.282,58 0.731,59 62.941,60 83.254,61 2.266,62 4.28,63 83.254,64 0.692,65 6.805,66 7.111,67 1,68 0.874,69 2,70 2,71 5.8}
{0 CHEMBL1990496,2 4.133,3 0.026,5 2,7 19.072,8 -0.044,9 0.042,10 4.496,11 0.941,12 0.636,13 0.9,14 278.738,15 1.885,16 278.651,17 1.858,18 16.529,20 324.041,21 1.868,22 5,23 1.856,24 1.664,25 0.098,26 1.56,27 1.117,28 46.8,29 1.995,30 2,31 5.283,32 0.871,33 1,34 1.217,35 5.226,36 6,37 8.328,38 5.214,39 369.16,40 62,41 1.97,42 5,43 4,44 0.042,45 0.6,46 1.411,47 0.691,48 20,49 1.058,50 17.249,51 5.49,52 3.831,53 26,54 4.755,55 3.825,56 4,57 3.643,58 1.336,60 87.603,61 2.609,62 5.319,63 87.603,64 0.655,65 7.184,66 21.76,67 1.838,68 1.377,69 1,70 1,71 5.7}
{0 CHEMBL1990583,2 7.907,3 0.048,6 1,7 33.471,8 -0.043,9 0.065,10 4.357,11 0.894,12 0.675,13 0.833,14 200.435,15 1.793,16 258.524,17 1.701,18 24.033,19 1,20 228.474,21 1.721,22 4,23 1.746,24 1.549,25 0.11,27 1.137,28 43.5,29 1.966,31 4.691,32 0.772,35 4.967,36 10,37 7.388,38 5.059,39 254.084,40 46,41 1.837,42 7,44 0.001,45 0.4,46 1.181,47 0.689,48 9,49 0.911,50 6.804,51 5.306,52 3.803,53 24,54 4.644,55 3.802,56 3,57 3.627,58 1.144,59 140.252,60 136.502,61 2.566,62 4.869,63 121.542,64 0.687,65 6.629,66 11.169,67 2.087,68 1.197,69 2,70 2,71 5.4}
{0 CHEMBL1990590,2 8.492,3 0.101,7 4.582,8 0.146,9 0.069,10 4.056,11 0.728,12 0.625,13 0.522,14 154.137,15 1.739,16 167.511,17 1.571,18 6.183,19 1,20 180.666,21 1.603,22 4,23 1.711,24 1.282,25 0.122,27 1.109,28 50,29 1.846,31 4.868,32 0.724,35 4.754,36 5,37 8.344,38 5.03,39 199.421,40 38,41 1.85,42 3,43 1,44 0.003,45 0.6,46 1.18,47 0.734,48 9,49 0.933,50 9.301,51 4.912,52 3.662,53 22,54 4.524,55 3.669,56 3,57 3.51,58 1.136,59 88.427,60 50.112,61 2.461,62 4.666,63 50.112,64 0.704,65 7.118,66 9.967,67 1.202,68 1.066,69 2,70 2,71 5.6}
{0 CHEMBL1990635,3 -0.023,7 19.482,8 -0.064,9 0.019,10 4.491,11 1.095,12 0.643,13 0.932,14 229.029,15 1.726,16 145.266,17 1.826,18 16.674,19 1,20 259.029,21 1.789,22 4,23 1.665,24 1.622,25 0.143,26 2.529,27 1.141,28 43.1,29 1.88,30 5,31 4.942,32 0.981,33 2,34 5.784,35 5.079,36 6,37 8.054,38 4.849,39 289.294,40 51,41 1.883,42 2,43 8,44 0.042,45 0.8,46 1.247,47 0.655,48 13,49 1.206,50 11.969,51 5.133,52 3.719,53 16,54 4.087,55 3.722,56 3,57 3.769,58 1.2,59 121.013,60 64.79,61 2.641,62 5.148,63 19.91,64 0.632,65 6.894,66 22.36,67 1.535,68 1.341,71 6}
{0 CHEMBL1990884,1 1,2 4.381,3 0.104,7 25.585,8 0.08,9 0.095,10 4.454,11 0.864,12 0.638,13 0.772,14 213.814,15 1.775,16 240.89,17 1.592,18 20.28,19 1,20 241.814,21 1.612,22 4,23 1.749,24 1.356,25 0.111,27 1.127,28 45.8,29 1.89,31 4.977,32 0.789,35 5.038,36 7,37 8.14,38 5.137,39 268.078,40 48,41 1.87,42 4,43 2,44 0.003,45 0.6,46 1.316,47 0.687,48 8,49 0.954,50 11.164,51 5.304,52 3.715,53 23,54 4.585,55 3.71,56 3,57 3.806,58 1.248,59 126.895,60 115.551,61 2.748,62 5.009,63 100.591,64 0.669,65 7.061,66 14.927,67 2.002,68 1.324,69 1,70 1,71 5.8}
{0 CHEMBL1990885,3 -0.024,7 30.71,8 -0.12,9 0.012,10 4.633,11 1.147,12 0.638,13 0.89,14 259.437,15 1.685,16 177.103,17 1.823,18 25.99,19 1,20 284.192,21 1.83,22 3,23 1.627,24 1.637,25 0.118,26 2.238,27 1.138,28 39.3,29 1.836,30 4,31 4.852,32 1.031,33 4,34 3.24,35 5.075,36 7,37 7.594,38 4.865,39 325.212,40 56,41 1.845,42 4,43 8,44 0.029,45 1,46 1.545,47 0.643,48 12,49 1.005,50 15.545,51 5.075,52 3.555,53 14,54 3.907,55 3.55,56 2,57 3.416,58 1.258,59 128.978,60 70.891,61 2.375,62 5.196,63 55.931,64 0.611,65 6.595,66 22.895,67 1.951,68 1.575,71 5.7}
{0 CHEMBL1990904,1 1,2 17.874,3 -0.077,4 1,7 13.162,8 -0.211,9 -0.005,10 4.724,11 1.025,12 0.704,13 0.796,14 207.85,15 1.714,16 201.376,17 1.664,18 9.533,19 1,20 220.215,21 1.648,22 5,23 1.662,24 1.454,25 0.107,27 1.132,28 45.5,29 1.892,30 3,31 5.187,32 0.873,33 1,34 3.425,35 5.005,36 7,37 8.518,38 5.047,39 240.215,40 44,41 1.82,42 6,43 4,44 0.06,45 0.8,46 1.181,47 0.694,48 7,49 0.984,50 8.946,51 5.005,52 3.761,53 22,54 4.524,55 3.754,56 4,57 3.613,58 1.138,59 103.744,60 101.399,61 2.562,62 4.792,63 86.439,64 0.674,65 7.29,66 14.061,67 1.546,68 1.11,69 4,70 4,71 5.8}
{0 CHEMBL1990912,1 1,2 8.459,3 0.039,7 11.409,8 -0.069,9 0.043,10 4.379,11 0.936,12 0.638,13 0.509,14 153.26,15 1.533,16 151.532,17 1.485,18 7.215,20 173.525,21 1.485,22 3,23 1.467,24 1.301,25 0.138,27 1.12,28 45.7,29 1.779,30 2,31 4.454,32 0.86,33 2,34 0.593,35 4.958,36 4,37 7.804,38 4.696,39 179.525,40 35,41 1.776,42 3,43 2,44 0.022,45 0.6,46 1.056,47 0.687,48 10,49 0.928,50 7.105,51 5.015,52 3.394,53 17,54 4.17,55 3.384,56 2,57 3.224,58 0.948,60 51.582,61 2.15,62 4.543,63 51.582,64 0.655,65 6.776,66 11.854,67 1,68 0.996,69 2,70 2,71 5.9}
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{0 CHEMBL1996176,3 0.082,7 10.692,8 0.048,9 0.075,10 4.027,11 0.801,12 0.641,13 0.37,14 104.702,15 1.462,16 126.767,17 1.467,18 7.52,19 1,20 120.211,21 1.5,22 3,23 1.408,24 1.244,25 0.203,27 1.11,28 50,29 1.647,31 4.078,32 0.746,35 4.624,36 3,37 6.741,38 4.467,39 122.211,40 26,41 1.652,42 2,44 0.02,45 0.6,46 0.717,47 0.712,48 7,49 0.65,50 3.353,51 4.7,52 3.31,53 13,54 3.807,55 3.3,56 2,57 3.132,58 0.45,59 54.921,60 34.796,61 2.135,62 4.139,63 34.796,64 0.687,65 6.097,66 7.269,67 0.618,68 0.646,71 5.6}
{0 CHEMBL1996234,2 14.214,3 0.058,5 1,7 11.545,8 -0.039,9 0.064,10 4.627,11 0.896,12 0.664,13 0.822,14 254.491,15 1.88,16 234.694,17 1.933,18 11.248,19 1,20 285.71,21 1.926,22 6,23 1.853,24 1.788,25 0.097,27 1.117,28 47.3,29 1.984,30 2,31 5.635,32 0.823,34 1.376,35 5.195,36 6,37 9.154,38 5.333,39 317.975,40 55,41 1.993,42 5,43 5,44 0.044,45 0.8,46 1.316,47 0.697,48 10,49 1.08,50 13.594,51 5.331,52 3.797,53 27,54 4.807,55 3.805,56 4,57 3.979,58 1.205,59 121.495,60 84.54,61 2.925,62 5.209,63 84.54,64 0.665,65 7.679,66 18.817,67 1.812,68 1.305,69 3,70 3,71 5.8}
{0 CHEMBL1996345,2 9.107,3 0.064,5 1,7 14.294,8 -0.065,9 0.057,10 4.359,11 0.803,12 0.679,13 0.564,14 148.219,15 1.508,16 168.584,17 1.41,18 16.475,19 1,20 158.974,21 1.398,22 4,23 1.46,24 1.201,25 0.169,27 1.12,28 44.1,29 1.718,30 4,31 4.949,32 0.772,34 4.576,35 4.676,36 6,37 8.074,38 4.902,39 172.974,40 34,41 1.552,42 5,43 4,44 0.054,45 0.8,46 1.138,47 0.727,48 3,49 0.775,50 5.306,51 4.793,52 3.4,53 16,54 4.087,55 3.4,56 2,57 3.435,58 0.864,59 140.02,60 99.427,61 2.383,62 4.582,63 99.427,64 0.688,65 7.11,66 12.263,67 1.542,68 1.131,69 2,70 2,71 5.6}
{0 CHEMBL1996390,2 4.179,3 0.116,7 1.651,8 0.06,9 0.077,10 3.856,11 0.694,12 0.611,13 0.309,14 104.117,15 1.503,16 103.696,17 1.127,18 2.278,20 117.627,21 1.148,22 3,23 1.522,24 0.963,25 0.18,27 1.093,28 51.9,29 1.613,31 4.357,32 0.688,35 4.357,36 4,37 7.651,38 4.722,39 128.382,40 27,41 1.467,42 1,44 0.025,45 0.4,46 0.908,47 0.763,48 6,49 0.671,50 4.454,51 4.459,52 3.285,53 17,54 4.17,55 3.28,56 2,57 3.298,58 0.519,59 62.347,60 16.786,61 2.254,62 4.17,63 16.786,64 0.731,65 6.78,66 5.927,67 1,68 0.854,69 1,70 1,71 5.8}
{0 CHEMBL1996500,1 1,2 17.534,3 -0.061,4 1,7 17.95,8 -0.193,9 -0.003,10 4.919,11 1.086,12 0.683,13 0.931,14 245.928,15 1.75,16 216.137,17 1.835,18 15.053,19 1,20 257.928,21 1.836,22 4,23 1.698,24 1.655,25 0.103,27 1.144,28 42,29 1.942,30 1,31 5.313,32 0.928,33 1,34 0.242,35 5.159,36 9,37 8.665,38 5.12,39 282.193,40 50,41 1.935,42 6,43 5,44 0.027,45 0.8,46 1.409,47 0.669,48 6,49 1.026,50 10.214,51 5.159,52 3.66,53 22,54 4.524,55 3.637,56 3,57 3.816,58 1.263,59 117.648,60 116.36,61 2.724,62 5.135,63 86.439,64 0.656,65 7.4,66 17.013,67 1.892,68 1.303,69 4,70 4,71 5.6}
{0 CHEMBL1996510,2 9.592,3 0.004,4 1,5 2,7 23.172,8 -0.13,9 0.042,10 4.431,11 0.938,12 0.695,13 0.835,14 230.423,15 1.733,16 215.839,17 1.758,18 17.467,19 1,20 262.423,21 1.772,22 6,23 1.657,24 1.64,25 0.104,26 2.104,27 1.121,28 46.2,29 1.96,30 4,31 5.624,32 0.816,33 4,34 3.232,35 5.047,36 8,37 8.816,38 5.304,39 296.423,40 52,41 1.949,42 6,43 4,44 0.045,45 0.6,46 1.343,47 0.698,48 16,49 1.142,50 11.116,51 5.316,52 3.65,53 24,54 4.644,55 3.63,56 4,57 3.836,58 1.302,59 106.585,60 89.502,61 2.79,62 5.075,63 89.502,64 0.678,65 7.59,66 17.221,67 1.995,68 1.407,69 2,70 2,71 5.6}
{0 CHEMBL1996576,3 -0.004,5 2,7 36.422,8 -0.061,9 0.035,10 4.624,11 1.066,12 0.664,13 1.034,14 258.947,15 1.881,16 163.796,17 1.797,18 26.525,19 1,20 284.457,21 1.8,22 5,23 1.84,24 1.588,25 0.123,26 1.851,27 1.141,28 42.9,29 2,30 7,31 5.361,32 0.939,33 3,34 4.955,35 5.08,36 8,37 7.407,38 4.993,39 325.212,40 56,41 2.006,42 3,43 9,44 0.038,45 0.8,46 1.394,47 0.658,48 14,49 1.157,50 17.108,51 5.115,52 3.697,53 17,54 4.17,55 3.696,56 2,57 3.902,58 1.214,59 227.946,60 82.801,61 2.745,62 5.374,63 37.921,64 0.642,65 6.804,66 23.468,67 2.161,68 1.422,71 5.6}
{0 CHEMBL1996587,2 17.74,3 -0.025,5 2,7 11.488,8 -0.066,9 0.006,10 4.861,11 1.055,12 0.675,13 0.952,14 243.073,15 1.708,16 178.113,17 1.774,18 15.462,19 2,20 256.683,21 1.748,22 5,23 1.662,24 1.564,25 0.108,27 1.144,28 42,29 1.88,30 4,31 5.493,32 0.92,33 2,34 2.359,35 5.134,36 9,37 8.745,38 5.205,39 282.193,40 50,41 1.87,42 6,43 7,44 0.049,45 0.8,46 1.34,47 0.669,48 9,49 1.084,50 11.355,51 5.134,52 3.732,53 21,54 4.459,55 3.721,56 3,57 3.807,58 1.289,59 104.558,60 99.758,61 2.724,62 5.207,63 69.838,64 0.656,65 7.408,66 17.848,67 1.689,68 1.338,69 4,70 4,71 5.8}
{0 CHEMBL1996646,1 2,2 9.512,3 -0.058,4 1,7 42.508,8 -0.154,9 0.003,10 4.377,11 1.087,12 0.658,13 0.822,14 249.481,15 1.862,16 189.112,17 1.609,18 26.457,20 277.455,21 1.612,22 4,23 1.806,24 1.405,25 0.101,27 1.129,28 40.4,29 1.991,30 6,31 4.97,32 0.981,33 1,34 6.614,35 4.868,36 7,37 7.674,38 4.943,39 332.475,40 57,41 1.984,42 4,43 9,44 0.038,45 1,46 1.519,47 0.665,48 15,49 1.13,50 14.864,51 4.964,52 3.727,53 17,54 4.17,55 3.741,56 3,57 3.555,58 1.513,60 69.593,61 2.487,62 5.22,63 69.593,64 0.626,65 6.764,66 24.179,67 1.824,68 1.459,69 2,70 2,71 5.9}
{0 CHEMBL1996649,2 4.296,3 0.048,7 40.024,8 -0.051,9 0.044,10 4.887,11 0.958,12 0.638,13 1.117,14 337.224,15 1.834,16 266.772,17 1.924,18 30.549,20 371.224,21 1.922,22 4,23 1.815,24 1.732,25 0.088,26 2.318,27 1.131,28 40.6,29 1.974,30 5,31 5.153,32 0.919,33 4,34 4.368,35 5.38,36 10,37 8.262,38 5.188,39 421.488,40 69,41 1.978,42 6,43 7,44 0.039,45 0.7,46 1.472,47 0.673,48 16,49 1.053,50 18.245,51 5.478,52 3.775,53 24,54 4.644,55 3.78,56 3,57 3.686,58 1.381,59 179.711,60 121.799,61 2.618,62 5.368,63 106.839,64 0.637,65 7.134,66 27.359,67 2.283,68 1.584,69 1,70 1,71 5.6}
{0 CHEMBL1996702,1 1,3 -0.001,5 1,7 44.71,8 -0.096,9 0.029,10 4.683,11 1.062,12 0.647,13 0.898,14 290.366,15 1.761,16 212.53,17 1.87,18 30.912,19 1,20 330.896,21 1.881,22 4,23 1.745,24 1.691,25 0.098,26 2.066,27 1.126,28 41.9,29 1.927,30 3,31 5.268,32 0.942,33 2,34 2.323,35 5.337,36 8,37 8.312,38 5.055,39 369.16,40 62,41 1.935,42 4,43 6,44 0.028,45 0.8,46 1.417,47 0.661,48 22,49 1.104,50 15.981,51 5.498,52 3.693,53 20,54 4.392,55 3.687,56 2,57 3.818,58 1.367,60 57.157,61 2.795,62 5.373,63 57.157,64 0.633,65 7,66 23.681,67 1.983,68 1.46,71 5.6}
{0 CHEMBL1996780,2 4.051,3 -0.013,5 1,7 26.508,8 -0.102,9 0.017,10 4.734,11 0.985,12 0.633,13 0.653,14 236.683,15 1.754,16 178.871,17 1.768,18 19.644,19 1,20 260.683,21 1.76,22 4,23 1.73,24 1.533,25 0.116,26 1.794,27 1.111,28 48,29 1.876,30 1,31 5.323,32 0.872,33 1,34 0.176,35 5.214,36 6,37 8.26,38 5.051,39 282.193,40 50,41 1.857,42 2,43 3,44 0.033,45 0.6,46 1.181,47 0.694,48 10,49 0.945,50 14.126,51 5.254,52 3.699,53 21,54 4.459,55 3.688,56 3,57 3.839,58 1.169,60 19.91,61 2.832,62 4.987,63 19.91,64 0.673,65 7.056,66 16.172,67 1.82,68 1.229,69 1,70 1,71 5.8}
{0 CHEMBL1996791,2 12.845,3 0.024,7 12.222,8 -0.058,9 0.038,10 4.063,11 0.568,12 0.681,13 0.537,14 130,15 1.322,16 111.512,17 1.429,18 13.404,19 1,20 138,21 1.376,22 3,23 1.26,24 1.153,25 0.171,27 1.141,28 34.4,29 1.56,30 4,31 4.407,32 0.788,34 3.502,35 4.313,36 7,37 6.445,38 4.55,39 160,40 32,41 1.513,42 5,43 6,44 -0.004,45 0.8,46 0.945,47 0.717,48 2,49 0.825,50 6.885,51 4.313,52 3.111,53 10,54 3.459,55 3.416,56 2,57 3.235,58 0.785,59 62.064,60 84.908,61 2.157,62 4.737,63 84.908,64 0.649,65 6.333,66 9.104,67 1,68 1.002,69 3,70 3,71 6.4}
{0 CHEMBL1996817,2 8.553,3 -0.066,7 5.814,8 -0.166,9 -0.003,10 4.314,11 1.095,12 0.65,13 0.542,14 159.63,15 1.658,16 149.365,17 1.617,18 5.392,19 1,20 171.24,21 1.626,22 3,23 1.591,24 1.419,25 0.151,27 1.125,28 43.2,29 1.868,30 3,31 4.466,32 0.962,33 1,34 2.811,35 4.628,36 4,37 7.614,38 4.715,39 192.75,40 37,41 1.798,42 3,43 4,44 0.062,45 0.8,46 1.117,47 0.67,48 7,49 0.865,50 7.398,51 4.703,52 3.497,53 16,54 4.087,55 3.515,56 2,57 3.028,58 1.039,59 73.196,60 50.357,61 1.907,62 4.573,63 50.357,64 0.634,65 6.725,66 14.307,67 1,68 1.062,69 2,70 2,71 6.2}
{0 CHEMBL1996831,2 4.804,3 0.092,7 12.223,8 0.054,9 0.077,10 4.037,11 0.913,12 0.619,13 0.491,14 153.421,15 1.577,16 91.024,17 1.684,18 12.324,20 173.421,21 1.67,22 4,23 1.516,24 1.548,25 0.153,27 1.112,28 47.4,29 1.793,30 6,31 5.037,32 0.868,34 6.598,35 4.564,36 3,37 7.848,38 4.808,39 199.421,40 38,41 1.86,42 1,43 6,44 0.036,45 0.8,46 1.062,47 0.684,48 4,49 1.211,50 11.283,51 4.616,52 3.524,53 13,54 3.807,55 3.536,56 2,57 3.435,58 0.945,59 56.05,60 16.786,61 2.418,62 4.726,63 16.786,64 0.649,65 7.03,66 14.581,67 1.231,68 1.053,69 1,70 1,71 5.8}
{0 CHEMBL1996837,2 4.206,3 0.192,7 13.602,8 0.197,9 0.125,10 3.855,11 0.742,12 0.643,13 0.415,14 92.529,15 1.403,16 115.922,17 1.38,18 11.574,19 1,20 96.529,21 1.379,22 2,23 1.34,24 1.021,25 0.239,27 1.14,28 33.3,29 1.63,31 3.332,32 0.765,35 4.022,36 6,37 3.956,38 4.503,39 110.039,40 24,41 1.543,42 4,43 2,44 0.026,45 0.6,46 0.643,47 0.684,48 3,49 0.597,50 4.527,51 4.022,52 3.002,53 10,54 3.459,55 3.023,56 1,57 3.028,58 0.015,60 84.234,61 1.958,62 4.077,63 84.234,64 0.649,65 6.188,66 9.898,67 -0.186,68 0.771,69 1,70 1,71 4.8}
{0 CHEMBL1996931,2 4.003,3 0.056,7 9.091,8 0.013,9 0.047,10 4.22,11 0.859,12 0.606,13 0.583,14 189.914,15 1.723,16 171.136,17 1.752,18 10.237,20 215.133,21 1.744,22 3,23 1.688,24 1.555,25 0.128,27 1.113,28 46.7,29 1.859,30 2,31 4.263,32 0.839,33 1,34 0.401,35 4.781,36 5,37 6.909,38 4.738,39 247.133,40 45,41 1.843,42 2,43 3,44 0.001,45 0.6,46 1.181,47 0.703,48 13,49 0.96,50 11.46,51 4.87,52 3.65,53 19,54 4.322,55 3.643,56 3,57 3.613,58 1.181,60 34.796,61 2.589,62 4.917,63 34.796,64 0.668,65 6.194,66 14.425,67 1.131,68 1.062,69 1,70 1,71 5.8}
{0 CHEMBL1996979,2 4.261,3 0.046,7 13.651,8 -0.015,9 0.056,10 4.144,11 0.832,12 0.644,13 0.694,14 161.601,15 1.803,16 194.511,17 1.63,18 10.775,19 1,20 184.131,21 1.644,22 4,23 1.768,24 1.421,25 0.127,27 1.125,28 51.3,29 1.928,31 4.828,32 0.753,35 4.721,36 6,37 8.085,38 5.044,39 206.131,40 39,41 1.893,42 3,44 0.01,45 0.4,46 1.118,47 0.716,48 9,49 0.968,50 6.56,51 4.875,52 3.743,53 23,54 4.585,55 3.745,56 3,57 3.538,58 1.035,59 101.964,60 81.502,61 2.499,62 4.692,63 51.582,64 0.71,65 6.951,66 8.507,67 1.356,68 1.074,69 1,70 1,71 5.8}
{0 CHEMBL1997007,1 1,2 9.044,3 -0.025,4 1,7 26.58,8 -0.16,9 0.016,10 4.667,11 1.092,12 0.656,13 0.701,14 210.014,15 1.632,16 187.223,17 1.72,18 19.064,19 2,20 223.624,21 1.728,22 3,23 1.557,24 1.478,25 0.137,27 1.134,28 40,29 1.863,30 3,31 4.5,32 0.973,33 1,34 2.439,35 4.969,36 6,37 7.53,38 4.803,39 247.133,40 45,41 1.911,42 5,43 5,44 0.036,45 0.8,46 1.226,47 0.657,48 7,49 1.08,50 9.885,51 4.969,52 3.456,53 17,54 4.17,55 3.465,56 2,57 3.457,58 1.181,59 105.423,60 86.378,61 2.389,62 4.805,63 86.378,64 0.623,65 6.586,66 17.353,67 1.161,68 1.259,69 2,70 2,71 6}
{0 CHEMBL1997023,2 4.051,3 -0.037,5 1,7 18.742,8 -0.259,9 0.006,10 4.185,11 0.978,12 0.653,13 0.458,14 121.372,15 1.385,16 95.351,17 1.379,18 13.524,20 123.372,21 1.345,22 2,23 1.358,24 1.205,25 0.202,26 1.802,27 1.128,28 37.9,29 1.61,31 4.007,32 0.866,35 4.254,36 7,37 6.29,38 4.498,39 140.881,40 29,41 1.441,42 3,43 2,44 0.05,45 0.6,46 0.783,47 0.692,48 8,49 0.469,50 6.929,51 4.254,52 3.301,53 12,54 3.7,55 3.26,56 1,57 3.518,58 0.503,59 71.492,60 36.111,61 2.436,62 4.439,63 36.111,64 0.673,65 6.352,66 9.651,67 0.805,68 0.814,69 1,70 1,71 5.8}
{0 CHEMBL1997041,2 8.393,3 -0.014,7 1.369,8 -0.099,9 0.021,10 4.282,11 0.919,12 0.662,13 0.484,14 115.627,15 1.463,16 137.29,17 1.446,18 2.702,19 1,20 123.627,21 1.398,22 3,23 1.395,24 1.194,25 0.169,27 1.129,28 48.1,29 1.677,31 4.22,32 0.814,35 4.579,36 4,37 7.507,38 4.695,39 128.382,40 27,41 1.638,42 3,43 1,44 0.033,45 0.6,46 0.806,47 0.704,48 4,49 0.603,50 4.834,51 4.579,52 3.136,53 16,54 4.087,55 3.12,56 2,57 3.279,58 0.452,59 57.794,60 65.317,61 2.214,62 4.299,63 50.357,64 0.687,65 6.641,66 7.854,67 0.702,68 0.786,69 2,70 2,71 5.6}
{0 CHEMBL1997051,1 1,2 14.121,3 -0.039,4 1,5 3,7 44.826,8 -0.162,9 -0.002,10 5.131,11 0.964,12 0.676,13 1.23,14 364.314,15 1.869,16 303.983,17 1.909,18 29.871,19 2,20 402.367,21 1.919,22 6,23 1.85,24 1.768,25 0.075,26 2.078,27 1.128,28 45.1,29 1.964,30 1,31 5.572,32 0.866,33 1,34 0.754,35 5.667,36 12,37 8.865,38 5.502,39 436.632,40 71,41 1.948,42 7,43 4,44 0.053,45 0.5,46 1.571,47 0.702,48 22,49 1.038,50 19.028,51 5.695,52 3.861,53 34,54 5.129,55 3.853,56 5,57 3.9,58 1.417,60 120.709,61 2.821,62 5.417,63 90.789,64 0.681,65 7.553,66 24.747,67 2.592,68 1.508,69 3,70 3,71 5.6}
{0 CHEMBL1997129,2 4.397,3 0.044,7 6.909,8 -0.009,9 0.053,10 4.461,11 0.883,12 0.635,13 0.579,14 182.905,15 1.773,16 182.564,17 1.595,18 7.745,19 1,20 204.905,21 1.607,22 4,23 1.733,24 1.436,25 0.134,27 1.112,28 48.8,29 1.938,30 2,31 4.682,32 0.821,33 1,34 1.528,35 4.998,36 4,37 7.758,38 4.843,39 219.66,40 41,41 1.923,42 3,43 2,44 0.039,45 0.6,46 1.181,47 0.702,48 12,49 1.032,50 7.783,51 5.065,52 3.691,53 19,54 4.322,55 3.684,56 3,57 3.527,58 1.106,59 93.429,60 51.582,61 2.525,62 4.748,63 51.582,64 0.67,65 6.607,66 13.372,67 1.339,68 1.16,69 1,70 1,71 6.2}
{0 CHEMBL1997193,3 0.11,7 17.217,8 0.119,9 0.084,10 4.606,11 0.602,12 0.598,13 0.402,14 156.609,15 1.565,16 154.145,17 1.443,18 16.043,20 168.219,21 1.408,22 3,23 1.531,24 1.295,25 0.165,27 1.096,28 50,29 1.718,31 4.625,32 0.643,35 4.948,36 6,37 7.321,38 4.805,39 172.974,40 34,41 1.739,42 2,43 1,44 -0.007,45 0.4,46 0.979,47 0.786,48 6,49 0.882,50 6.33,51 4.948,52 3.59,53 15,54 4,55 3.6,56 3,57 3.511,58 0.899,60 49.07,61 2.382,62 4.493,63 95.024,64 0.745,65 6.565,66 4.235,67 1.703,68 1.091,71 6.1}
{0 CHEMBL1997197,1 1,2 8.621,3 0.027,4 1,7 21.102,8 -0.097,9 0.03,10 4.616,11 0.903,12 0.656,13 0.647,14 189.253,15 1.462,16 213.626,17 1.582,18 14.93,20 208.905,21 1.554,22 3,23 1.416,24 1.412,25 0.122,27 1.125,28 41.5,29 1.676,30 1,31 4.078,32 0.851,33 1,34 0.41,35 5.095,36 7,37 6.823,38 4.695,39 219.66,40 41,41 1.63,42 5,43 2,44 0.051,45 0.6,46 1.144,47 0.7,48 12,49 0.665,50 8.278,51 5.144,52 3.555,53 18,54 4.248,55 3.554,56 3,57 3.426,58 1.105,60 101.265,61 2.273,62 4.632,63 101.265,64 0.663,65 6.093,66 15.238,67 1.234,68 1.215,69 2,70 2,71 5.6}
{0 CHEMBL1997275,3 0.036,7 15.343,8 0.015,9 0.056,10 4.436,11 0.872,12 0.648,13 0.489,14 159.711,15 1.62,16 157.515,17 1.575,18 11.833,19 1,20 179.362,21 1.596,22 4,23 1.586,24 1.321,25 0.146,27 1.109,28 50,29 1.768,31 4.844,32 0.783,35 4.982,36 4,37 8.098,38 4.923,39 186.117,40 36,41 1.734,42 2,43 1,44 0.039,45 0.6,46 1.104,47 0.708,48 11,49 0.806,50 6.33,51 5.038,52 3.42,53 18,54 4.248,55 3.418,56 2,57 3.314,58 1.063,59 152.553,60 34.796,61 2.261,62 4.584,63 34.796,64 0.684,65 6.971,66 11.301,67 1.317,68 1.04,71 5.6}
{0 CHEMBL1997335,3 -0.049,7 16.202,8 0.022,9 0.008,10 3.844,11 1.034,12 0.64,13 0.585,14 165.29,15 1.48,16 175.771,17 1.579,18 17.693,20 194.045,21 1.58,22 4,23 1.446,24 1.34,25 0.122,27 1.115,28 46.5,29 1.639,31 5.226,32 0.889,35 4.513,36 5,37 8.453,38 5.032,39 233.329,40 43,41 1.655,42 2,43 3,44 0.071,45 0.6,46 1.342,47 0.685,48 17,49 0.703,50 12.794,51 4.955,52 3.389,53 18,54 4.248,55 3.394,56 2,57 3.61,58 1.103,60 34.551,61 2.519,62 4.806,63 34.551,64 0.661,65 7.225,66 16.022,67 1.549,68 1.384,71 6}
{0 CHEMBL1997340,2 7.871,3 0.038,5 1,7 8.387,8 0.033,9 0.037,10 4.67,11 1.009,12 0.674,13 0.611,14 182.131,15 1.484,16 133.093,17 1.585,18 8.524,19 1,20 198.131,21 1.631,22 4,23 1.461,24 1.311,25 0.142,26 1.62,27 1.131,28 41,29 1.628,30 4,31 4.663,32 0.886,33 2,34 2.522,35 5.08,36 7,37 7.767,38 4.81,39 206.131,40 39,41 1.582,42 4,43 5,44 0.05,45 0.8,46 1.184,47 0.666,48 9,49 0.778,50 5.625,51 5.08,52 3.602,53 16,54 4.087,55 3.585,56 3,57 3.638,58 1.043,59 92.46,60 56.047,61 2.594,62 4.847,63 56.047,64 0.651,65 6.708,66 13.948,67 1.282,68 1.238,69 2,70 2,71 5.8}
{0 CHEMBL1997597,2 3.97,3 0.024,7 5.975,8 0.137,9 0.097,10 4.217,11 1.119,12 0.614,13 0.622,14 160.26,15 1.691,16 174.86,17 1.642,18 8.618,19 1,20 177.911,21 1.694,22 3,23 1.689,24 1.351,25 0.185,27 1.127,28 39.5,29 1.838,30 1,31 4.564,32 0.849,33 1,34 0.047,35 4.682,36 7,37 7.87,38 4.795,39 199.421,40 38,41 1.798,42 4,43 2,44 0.212,45 0.6,46 1.114,47 0.688,48 9,49 0.985,50 7.881,51 4.754,52 3.689,53 18,54 4.248,55 3.734,56 2,57 3.74,58 1.054,59 92.449,60 82.628,61 2.713,62 4.697,63 82.628,64 0.654,65 6.807,66 15.895,67 1.019,68 1.062,69 1,70 1,71 7.3}
{0 CHEMBL1997617,2 9.008,3 -0.065,5 2,7 34.175,8 -0.216,9 0.006,10 4.443,11 1.136,12 0.681,13 1.077,14 311.011,15 1.858,16 228,17 1.952,18 28.063,19 1,20 341.54,21 1.939,22 6,23 1.831,24 1.765,25 0.083,26 5.134,27 1.129,28 41.4,29 1.98,30 8,31 5.497,32 1.003,33 4,34 9.521,35 4.879,36 7,37 8.434,38 5.18,39 429.05,40 70,41 1.974,42 6,43 11,44 0.084,45 0.8,46 1.513,47 0.659,48 22,49 1.148,50 23.618,51 5.233,52 3.771,53 22,54 4.524,55 3.776,56 5,57 3.693,58 1.513,59 153.599,60 74.616,61 2.607,62 5.584,63 74.616,64 0.617,65 7.208,66 30.266,67 2,68 1.443,69 2,70 2,71 5.8}
{0 CHEMBL1997623,2 4.137,3 0.126,7 26.901,8 0.061,9 0.106,10 4.169,11 0.818,12 0.642,13 0.936,14 191.765,15 1.789,16 240.634,17 1.689,18 19.34,19 1,20 229.819,21 1.743,22 4,23 1.762,24 1.396,25 0.135,27 1.144,28 45.7,29 1.889,31 4.771,32 0.746,35 4.996,36 9,37 7.98,38 5.063,39 254.084,40 46,41 1.889,42 5,43 1,44 -0.013,45 0.4,46 1.181,47 0.688,48 11,49 0.997,50 7.961,51 5.203,52 3.788,53 23,54 4.585,55 3.783,56 3,57 3.783,58 1.168,59 141.596,60 147.125,61 2.754,62 4.96,63 102.245,64 0.688,65 6.959,66 12.104,67 1.843,68 1.214,69 1,70 1,71 5.8}
{0 CHEMBL1997764,2 4.411,3 0.003,7 15.343,8 -0.049,9 0.034,10 4.2,11 0.924,12 0.644,13 0.599,14 180.6,15 1.805,16 201.872,17 1.632,18 11.833,19 1,20 205.82,21 1.649,22 4,23 1.77,24 1.421,25 0.123,27 1.112,28 48.8,29 1.932,31 4.796,32 0.822,35 4.787,36 5,37 8.05,38 5.015,39 233.329,40 43,41 1.896,42 3,43 1,44 0.041,45 0.6,46 1.181,47 0.704,48 13,49 0.971,50 8.911,51 4.944,52 3.743,53 23,54 4.585,55 3.745,56 3,57 3.524,58 1.181,59 106.443,60 51.582,61 2.489,62 4.759,63 51.582,64 0.679,65 6.964,66 13.393,67 1.341,68 1.098,69 1,70 1,71 5.8}
{0 CHEMBL1997822,2 4.429,3 0.07,5 2,7 6.455,8 0.104,9 0.099,10 4.768,11 0.892,12 0.625,13 0.689,14 233.611,15 1.792,16 202.404,17 1.802,18 8.74,19 1,20 259.611,21 1.792,22 5,23 1.795,24 1.606,25 0.152,27 1.104,28 46.9,29 1.903,31 5.429,32 0.755,35 5.298,36 7,37 9.129,38 5.334,39 275.121,40 49,41 1.807,42 3,43 2,44 0.146,45 0.6,46 1.286,47 0.741,48 11,49 1.029,50 12.406,51 5.339,52 3.909,53 28,54 4.858,55 3.965,56 3,57 3.98,58 1.222,59 216.318,60 66.468,61 2.856,62 4.993,63 66.468,64 0.696,65 7.66,66 19.463,67 1.935,68 1.263,69 1,70 1,71 5.8}
{0 CHEMBL1997846,1 1,2 13.358,3 -0.016,7 19.407,8 -0.166,9 0.024,10 4.267,11 0.954,12 0.685,13 0.652,14 174.931,15 1.714,16 159.551,17 1.623,18 11.088,19 1,20 192.15,21 1.632,22 4,23 1.669,24 1.421,25 0.123,27 1.13,28 41.5,29 1.877,30 5,31 4.745,32 0.883,34 6.257,35 4.687,36 6,37 7.812,38 4.795,39 219.66,40 41,41 1.784,42 5,43 6,44 0.027,45 0.8,46 1.198,47 0.688,48 4,49 0.864,50 8.33,51 4.821,52 3.617,53 16,54 4.087,55 3.608,56 3,57 3.439,58 0.897,59 84.619,60 85.153,61 2.358,62 4.872,63 85.153,64 0.649,65 6.784,66 15.91,67 1.408,68 1.166,69 3,70 3,71 5.6}
{0 CHEMBL1997872,2 4.414,3 -0.063,5 2,7 9.739,8 -0.182,9 0.004,10 4.384,11 1.053,12 0.674,13 0.591,14 175.367,15 1.664,16 143.594,17 1.685,18 8.912,19 1,20 190.877,21 1.689,22 4,23 1.612,24 1.464,25 0.142,26 1.843,27 1.121,28 45,29 1.843,30 4,31 4.644,32 0.907,33 4,34 2.527,35 4.772,36 5,37 7.855,38 4.821,39 212.877,40 40,41 1.835,42 3,43 4,44 0.065,45 0.8,46 1.211,47 0.681,48 14,49 0.946,50 9.147,51 4.822,52 3.553,53 17,54 4.17,55 3.536,56 3,57 3.611,58 1.04,59 88.279,60 36.695,61 2.569,62 4.763,63 36.695,64 0.655,65 6.781,66 15.165,67 1.406,68 1.169,69 1,70 1,71 6}
{0 CHEMBL1997892,3 0.052,7 25.555,9 0.059,10 4.751,11 0.849,12 0.642,13 0.936,14 204.31,15 1.693,16 192.92,17 1.537,18 22.831,20 221.82,21 1.596,22 3,23 1.66,24 1.283,25 0.139,27 1.154,28 44.2,29 1.843,31 4.533,32 0.768,35 5.159,36 11,37 6.945,38 4.864,39 233.329,40 43,41 1.822,42 4,43 2,44 -0.013,45 0.4,46 1.122,47 0.695,48 7,49 0.912,50 8.022,51 5.205,52 3.628,53 16,54 4.087,55 3.616,56 3,57 3.763,58 1.059,60 130.413,61 2.623,62 4.89,63 70.573,64 0.711,65 6.297,66 8.758,67 2.047,68 1.13,71 5.6}
{0 CHEMBL1997909,1 1,2 14.2,3 0.014,4 1,5 1,7 31.438,8 -0.109,9 0.027,10 4.594,11 0.86,12 0.658,13 0.913,14 284.838,15 1.9,16 287.38,17 1.905,18 20.496,19 2,20 333.386,21 1.915,22 6,23 1.874,24 1.768,25 0.084,27 1.111,28 48.4,29 1.992,30 1,31 5.425,32 0.807,34 0.314,35 5.377,36 8,37 8.761,38 5.383,39 369.16,40 62,41 2.007,42 6,43 2,44 0.06,45 0.5,46 1.552,47 0.726,48 14,49 1.122,50 13.723,51 5.716,52 3.849,53 34,54 5.129,55 3.852,56 5,57 3.731,58 1.29,60 87.665,61 2.694,62 5.189,63 87.665,64 0.69,65 7.459,66 20.415,67 2.147,68 1.43,69 3,70 3,71 5.6}
{0 CHEMBL1997924,1 2,2 13.667,3 0.078,4 1,7 40.707,8 0.021,9 0.064,10 4.587,11 0.819,12 0.673,13 0.739,14 201.809,15 1.553,16 199.463,17 1.6,18 24.05,19 2,20 217.46,21 1.627,22 5,23 1.513,24 1.413,25 0.107,27 1.123,28 43.2,29 1.711,30 3,31 4.844,32 0.796,33 1,34 3.18,35 4.942,36 7,37 7.79,38 4.951,39 240.215,40 44,41 1.687,42 6,43 4,44 0.064,45 0.8,46 1.296,47 0.71,48 9,49 0.924,50 7.417,51 5.005,52 3.835,53 21,54 4.459,55 3.845,56 4,57 3.528,58 1.181,59 105.475,60 102.919,61 2.51,62 4.774,63 102.919,64 0.67,65 6.707,66 16.042,67 1.542,68 1.376,69 3,70 3,71 8.699}
{0 CHEMBL1998110,2 8.529,3 -0.002,5 1,7 20.25,8 -0.108,9 0.008,10 4.646,11 0.952,12 0.63,13 0.627,14 204.441,15 1.612,16 176.432,17 1.665,18 15.446,20 217.95,21 1.643,22 3,23 1.59,24 1.432,25 0.134,27 1.117,28 43.2,29 1.776,31 4.29,32 0.908,35 4.953,36 6,37 6.874,38 4.778,39 240.215,40 44,41 1.761,42 3,43 4,44 0.064,45 0.8,46 1.181,47 0.697,48 10,49 0.875,50 10.285,51 4.953,52 3.621,53 18,54 4.248,55 3.632,56 3,57 3.608,58 1.114,60 51.582,61 2.567,62 4.791,63 51.582,64 0.657,65 6.194,66 17.354,67 1.252,68 1.149,69 2,70 2,71 5.6}
{0 CHEMBL1998112,1 1,2 9.11,3 -0.071,5 2,7 28.736,8 -0.177,9 0.006,10 4.512,11 1.056,12 0.681,13 0.733,14 216.568,15 1.722,16 232.127,17 1.585,18 19.544,19 2,20 242.568,21 1.59,22 4,23 1.684,24 1.396,25 0.111,27 1.126,28 43.8,29 1.874,31 5.1,32 0.876,35 5.054,36 8,37 8.468,38 5.11,39 268.078,40 48,41 1.799,42 5,43 2,44 0.042,45 0.6,46 1.404,47 0.682,48 14,49 0.897,50 11.448,51 5.22,52 3.772,53 23,54 4.585,55 3.753,56 3,57 3.834,58 1.207,59 114.293,60 85.765,61 2.715,62 4.885,63 85.765,64 0.665,65 7.165,66 16.103,67 1.568,68 1.484,69 2,70 2,71 6.1}
{0 CHEMBL1998121,2 3.97,3 0.12,5 1,7 19.461,8 0.199,9 0.085,10 4.684,11 0.724,12 0.625,13 0.592,14 187.367,15 1.59,16 177.144,17 1.6,18 15.022,19 1,20 204.877,21 1.65,22 3,23 1.542,24 1.312,25 0.146,27 1.125,28 42.5,29 1.786,30 2,31 4.369,32 0.75,33 1,34 0.9,35 5.122,36 7,37 6.741,38 4.78,39 212.877,40 40,41 1.787,42 4,43 3,44 -0.009,45 0.6,46 1.092,47 0.713,48 8,49 0.969,50 9.337,51 5.172,52 3.491,53 17,54 4.17,55 3.491,56 2,57 3.566,58 1.051,59 107.206,60 84.234,61 2.362,62 4.809,63 84.234,64 0.679,65 6.36,66 11.549,67 1.534,68 1.046,69 1,70 1,71 5.8}
{0 CHEMBL1998159,2 12.782,3 0.025,5 1,7 15.035,8 0.001,9 0.044,10 4.932,11 0.996,12 0.645,13 0.991,14 251.519,15 1.728,16 232.536,17 1.766,18 15.472,19 1,20 271.784,21 1.773,22 4,23 1.7,24 1.554,25 0.131,27 1.146,28 43.1,29 1.862,30 2,31 4.771,32 0.879,33 1,34 0.393,35 5.329,36 9,37 7.853,38 5.057,39 289.294,40 51,41 1.843,42 5,43 5,44 0.021,45 0.8,46 1.231,47 0.67,48 9,49 0.989,50 10.862,51 5.368,52 3.733,53 22,54 4.524,55 3.717,56 3,57 3.773,58 1.204,59 136.137,60 144.675,61 2.723,62 5.139,63 99.794,64 0.661,65 6.9,66 17.88,67 1.829,68 1.276,69 3,70 3,71 5.8}
{0 CHEMBL1998432,1 1,2 13.282,3 0.039,4 1,5 1,7 24.407,8 -0.099,9 0.057,10 4.618,11 0.919,12 0.688,13 0.701,14 198.574,15 1.72,16 189.913,17 1.611,18 14.25,19 1,20 219.329,21 1.626,22 4,23 1.676,24 1.387,25 0.119,27 1.136,28 39.5,29 1.881,30 4,31 4.796,32 0.86,34 4.223,35 5.101,36 7,37 7.833,38 4.811,39 233.329,40 43,41 1.79,42 6,43 6,44 0.014,45 0.8,46 1.161,47 0.68,48 5,49 0.845,50 8.818,51 5.194,52 3.62,53 16,54 4.087,55 3.607,56 3,57 3.545,58 1.045,59 89.587,60 118.05,61 2.445,62 4.989,63 118.05,64 0.643,65 6.79,66 16.631,67 1.456,68 1.147,69 3,70 3,71 5.9}
{0 CHEMBL1998435,1 1,2 8.352,3 0.039,7 11.409,8 -0.069,9 0.043,10 4.265,11 0.936,12 0.638,13 0.509,14 149.26,15 1.531,16 151.532,17 1.48,18 7.215,20 167.525,21 1.481,22 3,23 1.465,24 1.29,25 0.138,27 1.12,28 45.7,29 1.778,30 2,31 4.454,32 0.86,33 2,34 0.597,35 4.786,36 4,37 7.804,38 4.696,39 179.525,40 35,41 1.775,42 3,43 2,44 0.022,45 0.6,46 1.07,47 0.687,48 10,49 0.929,50 7.318,51 4.786,52 3.391,53 17,54 4.17,55 3.38,56 2,57 3.224,58 0.882,60 51.582,61 2.151,62 4.533,63 51.582,64 0.655,65 6.776,66 11.854,67 1,68 1.062,69 2,70 2,71 5.9}
{0 CHEMBL1998470,2 8.425,3 -0.009,5 1,7 12.39,8 -0.134,9 0.02,10 4.757,11 0.909,12 0.659,13 0.561,14 175.995,15 1.66,16 159.025,17 1.615,18 9.653,19 1,20 183.995,21 1.627,22 3,23 1.602,24 1.393,25 0.15,27 1.125,28 43.2,29 1.862,30 2,31 4.595,32 0.844,34 1.244,35 4.973,36 6,37 7.791,38 4.77,39 192.75,40 37,41 1.853,42 4,43 3,44 0.011,45 0.6,46 1.098,47 0.7,48 4,49 0.905,50 7.406,51 4.973,52 3.507,53 17,54 4.17,55 3.514,56 2,57 3.373,58 0.896,59 82.883,60 68.367,61 2.349,62 4.565,63 68.367,64 0.67,65 6.776,66 12.325,67 1.353,68 1.057,69 2,70 2,71 5.6}
{0 CHEMBL1998545,2 4.005,3 0.057,7 8.45,8 0.011,9 0.048,10 4.052,11 0.939,12 0.6,13 0.595,14 182.325,15 1.723,16 177.111,17 1.759,18 8.636,20 212.379,21 1.751,22 3,23 1.688,24 1.557,25 0.132,27 1.114,28 46.7,29 1.862,30 2,31 4.205,32 0.888,33 1,34 0.494,35 4.72,36 4,37 6.888,38 4.698,39 247.133,40 45,41 1.847,42 2,43 3,44 0.015,45 0.6,46 1.181,47 0.684,48 14,49 0.964,50 11.485,51 4.87,52 3.649,53 19,54 4.322,55 3.642,56 3,57 3.576,58 1.181,60 34.796,61 2.575,62 4.918,63 34.796,64 0.649,65 6.166,66 15.366,67 1.13,68 1.062,69 1,70 1,71 5.8}
{0 CHEMBL1998585,2 8.172,3 0.1,7 24.778,8 -0.018,9 0.095,10 4.677,11 0.776,12 0.661,13 1.006,14 205.809,15 1.748,16 226.536,17 1.567,18 19.296,20 223.46,21 1.617,22 4,23 1.716,24 1.386,25 0.131,27 1.147,28 45.5,29 1.885,31 4.836,32 0.712,35 5.079,36 11,37 7.932,38 5.114,39 240.215,40 44,41 1.789,42 5,43 1,44 -0.005,45 0.4,46 1.162,47 0.715,48 7,49 0.872,50 6.396,51 5.124,52 3.748,53 23,54 4.585,55 3.759,56 3,57 3.739,58 1.147,59 142.291,60 162.33,61 2.611,62 4.886,63 102.49,64 0.721,65 6.96,66 9.837,67 2.047,68 1.231,69 2,70 2,71 6.8}
{0 CHEMBL1998611,3 0.233,7 8.379,8 0.477,9 0.22,10 3.916,11 0.41,12 0.6,13 0.293,14 82.239,15 1.055,16 103.441,17 1.05,18 9.232,20 88.239,21 0.968,22 2,23 1,24 0.919,25 0.225,27 1.103,28 42.9,29 1.38,31 3.611,32 0.43,35 4.202,36 6,37 5.732,38 4.539,39 92.239,40 21,41 1.293,42 2,44 -0.024,45 0.4,46 0.142,47 0.838,48 2,49 0.267,50 3.156,51 4.202,52 2.954,53 11,54 3.585,55 3.028,56 1,57 3.1,59 51.4,60 65.794,61 1.85,62 3.855,63 111.748,64 0.78,65 6.281,66 9.279,67 0.211,68 0.315,71 5.8}
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{0 CHEMBL1998953,2 8.973,3 -0.05,7 13.321,8 -0.208,9 0.009,10 4.109,11 1.055,12 0.679,13 0.612,14 160.256,15 1.691,16 143.331,17 1.61,18 9.679,19 1,20 173.376,21 1.616,22 4,23 1.638,24 1.418,25 0.14,26 2.397,27 1.126,28 43.6,29 1.872,30 5,31 4.762,32 0.94,33 2,34 5.994,35 4.446,36 4,37 7.82,38 4.784,39 206.131,40 39,41 1.789,42 4,43 5,44 0.079,45 0.8,46 1.181,47 0.676,48 9,49 0.889,50 9.709,51 4.516,52 3.626,53 16,54 4.087,55 3.633,56 3,57 3.35,58 1.116,59 71.402,60 53.481,61 2.275,62 4.803,63 53.481,64 0.635,65 6.843,66 15.739,67 1.077,68 1.131,69 2,70 2,71 5.6}
{0 CHEMBL1999112,5 1,7 19.083,8 -0.056,9 0.026,10 4.942,11 0.911,12 0.664,13 0.619,14 217.46,15 1.49,16 202.126,17 1.603,18 18.873,20 227.46,21 1.587,22 4,23 1.438,24 1.454,25 0.148,26 1.17,27 1.113,28 45.5,29 1.733,30 1,31 5.342,32 0.798,33 1,34 0.134,35 5.17,36 9,37 7.719,38 4.961,39 240.215,40 44,41 1.722,42 3,43 3,44 0.041,45 0.4,46 1.255,47 0.716,48 7,49 0.844,50 8.07,51 5.26,52 3.632,53 16,54 4.087,55 3.62,56 3,57 3.574,58 1.137,59 115.897,60 67.081,61 2.533,62 4.768,63 67.081,64 0.704,65 6.782,66 12.965,67 2.461,68 1.415,71 5.8}
{0 CHEMBL1999414,2 4.323,3 0.046,7 41.463,8 -0.048,9 0.041,10 4.934,11 0.974,12 0.632,13 1.089,14 355.215,15 1.836,16 269.662,17 1.925,18 31.347,20 389.215,21 1.925,22 4,23 1.817,24 1.732,25 0.088,26 2.331,27 1.127,28 40.3,29 1.979,30 5,31 5.153,32 0.945,33 4,34 4.443,35 5.406,36 9,37 8.262,38 5.188,39 444.235,40 72,41 1.984,42 6,43 8,44 0.048,45 0.7,46 1.561,47 0.67,48 16,49 1.131,50 19.555,51 5.5,52 3.778,53 24,54 4.644,55 3.784,56 3,57 3.696,58 1.465,59 179.711,60 106.839,61 2.654,62 5.432,63 106.839,64 0.627,65 7.134,66 29.792,67 2.144,68 1.584,69 1,70 1,71 5.8}
{0 CHEMBL1999484,1 2,2 13.508,3 -0.022,4 1,5 2,7 49.209,8 -0.254,9 0.005,10 4.501,11 1.006,12 0.694,13 0.839,14 225.073,15 1.671,16 204.371,17 1.734,18 30.151,19 1,20 240.683,21 1.732,22 4,23 1.601,24 1.479,25 0.105,26 2.392,27 1.135,28 38,29 1.853,30 4,31 4.673,32 0.947,33 4,34 4.154,35 4.814,36 8,37 7.482,38 4.815,39 282.193,40 50,41 1.839,42 7,43 6,44 0.074,45 0.8,46 1.24,47 0.676,48 16,49 0.953,50 12.275,51 4.894,52 3.554,53 17,54 4.17,55 3.546,56 4,57 3.551,58 1.181,60 107.513,61 2.417,62 4.962,63 107.513,64 0.631,65 6.441,66 22.13,67 1.435,68 1.3,69 3,70 3,71 7.5}
{0 CHEMBL1999556,2 4.22,3 0.138,7 2.351,8 0.154,9 0.1,10 3.869,11 0.675,12 0.611,13 0.37,14 108.341,15 1.535,16 140.388,17 1.244,18 2.824,20 121.851,21 1.228,22 3,23 1.538,24 0.987,25 0.176,27 1.1,28 50,29 1.68,31 4.357,32 0.682,35 4.352,36 4,37 7.651,38 4.722,39 134.606,40 28,41 1.538,42 2,44 0.033,45 0.4,46 0.926,47 0.756,48 6,49 0.685,50 4.824,51 4.45,52 3.307,53 17,54 4.17,55 3.298,56 2,57 3.306,58 0.629,59 62.347,60 49.683,61 2.276,62 4.209,63 49.683,64 0.716,65 6.78,66 7.295,67 1,68 0.884,69 1,70 1,71 5.8}
{0 CHEMBL1999590,2 13.096,3 -0.077,7 13.388,8 -0.067,9 -0.021,10 4.391,11 1.018,12 0.663,13 0.683,14 184.438,15 1.545,16 228.883,17 1.693,18 13.843,19 1,20 210.968,21 1.69,22 4,23 1.509,24 1.536,25 0.112,27 1.126,28 45.2,29 1.721,31 4.625,32 0.868,35 5.023,36 7,37 7.747,38 4.936,39 226.477,40 42,41 1.755,42 6,43 1,44 0.072,45 0.6,46 1.181,47 0.698,48 9,49 0.829,50 8.015,51 5.089,52 3.701,53 23,54 4.585,55 3.684,56 4,57 3.527,58 1.104,60 86.562,61 2.504,62 4.663,63 86.562,64 0.678,65 6.681,66 12.56,67 1.328,68 1.247,69 3,70 3,71 5.8}
{0 CHEMBL1999714,1 1,3 0.071,7 29.596,8 0.038,9 0.068,10 3.741,11 0.851,12 0.632,13 0.411,14 108.475,15 1.278,16 130.526,17 1.392,18 17.388,19 1,20 132.127,21 1.395,22 3,23 1.221,24 1.167,25 0.191,27 1.113,28 48.3,29 1.527,31 4.394,32 0.798,35 4.556,36 3,37 7.102,38 4.477,39 140.881,40 29,41 1.546,42 2,43 1,44 0.026,45 0.6,46 0.949,47 0.699,48 7,49 0.623,50 5.2,51 4.694,52 3.16,53 13,54 3.807,55 3.142,56 1,57 3.126,58 0.653,60 36.022,61 2.099,62 4.537,63 36.022,64 0.669,65 6.099,66 9.315,67 0.675,68 0.876,71 5.8}
{0 CHEMBL1999718,2 7.812,3 -0.008,7 24.828,8 -0.091,9 0.03,10 4.44,11 0.92,12 0.663,13 0.798,14 159.853,15 1.522,16 220.414,17 1.506,18 19.502,20 179.362,21 1.559,22 3,23 1.487,24 1.27,25 0.159,27 1.149,28 47.2,29 1.685,31 4.533,32 0.778,35 4.982,36 9,37 7.223,38 4.885,39 186.117,40 36,41 1.638,42 5,43 1,44 -0.008,45 0.4,46 0.979,47 0.704,48 6,49 0.706,50 4.427,51 5.038,52 3.463,53 19,54 4.322,55 3.443,56 2,57 3.648,58 0.953,60 145.532,61 2.58,62 4.654,63 100.652,64 0.724,65 6.718,66 6.669,67 1.801,68 1.065,69 2,70 2,71 5.8}
{0 CHEMBL1999749,1 1,2 9.048,3 -0.008,5 1,7 43.862,8 -0.095,9 0.032,10 4.787,11 1.003,12 0.659,13 1.021,14 349.479,15 1.868,16 257.757,17 1.915,18 30.181,19 1,20 404.838,21 1.907,22 7,23 1.838,24 1.813,25 0.073,26 2.511,27 1.116,28 46.6,29 1.978,30 4,31 5.468,32 0.893,33 4,34 3.513,35 5.546,36 7,37 8.687,38 5.348,39 451.857,40 73,41 1.979,42 4,43 8,44 0.064,45 0.7,46 1.577,47 0.686,48 26,49 1.086,50 20.608,51 5.659,52 3.864,53 29,54 4.907,55 3.858,56 5,57 3.876,58 1.564,60 54.706,61 2.782,62 5.46,63 54.706,64 0.652,65 7.318,66 27.38,67 2.247,68 1.528,69 2,70 2,71 5.8}
{0 CHEMBL1999774,2 8.511,3 0.066,7 19.487,8 -0.102,9 0.064,10 4.665,11 0.947,12 0.674,13 0.602,14 186.612,15 1.555,16 113.715,17 1.605,18 16.708,20 198.122,21 1.592,22 3,23 1.526,24 1.377,25 0.146,26 2.052,27 1.137,28 37.5,29 1.736,30 4,31 4.828,32 0.869,33 3,34 3.163,35 4.953,36 8,37 7.552,38 4.781,39 212.877,40 40,41 1.702,42 4,43 6,44 -0.015,45 0.8,46 0.969,47 0.664,48 6,49 0.98,50 9.061,51 4.953,52 3.447,53 12,54 3.7,55 3.437,56 2,57 3.614,58 0.901,60 69.593,61 2.569,62 4.948,63 69.593,64 0.644,65 6.858,66 14.76,67 1.419,68 1.139,69 2,70 2,71 5.8}
{0 CHEMBL1999811,2 8.199,3 0.023,5 1,7 15.16,8 -0.042,9 0.08,10 4.455,11 0.875,12 0.641,13 0.57,14 151.464,15 1.357,16 162.925,17 1.347,18 13.263,20 170.974,21 1.366,22 3,23 1.3,24 1.138,25 0.142,27 1.126,28 41.2,29 1.633,31 4.043,32 0.718,35 5.029,36 9,37 6.586,38 4.782,39 172.974,40 34,41 1.476,42 5,44 0.036,45 0.4,46 1.009,47 0.715,48 6,49 0.365,50 3.063,51 5.087,52 3.282,53 18,54 4.248,55 3.246,56 2,57 3.372,58 0.815,59 99.4,60 82.514,61 2.319,62 4.49,63 82.514,64 0.706,65 6.247,66 5.987,67 1.422,68 1.078,69 2,70 2,71 5.8}
{0 CHEMBL1999918,2 4.013,3 0.104,7 3.628,8 0.07,9 0.104,10 4.423,11 0.566,12 0.619,13 0.507,14 123.851,15 1.534,16 133.256,17 1.241,18 5.614,20 132.606,21 1.226,22 3,23 1.538,24 0.977,25 0.154,27 1.118,28 50,29 1.68,31 4.644,32 0.577,35 4.736,36 7,37 7.969,38 4.87,39 134.606,40 28,41 1.537,42 2,44 -0.011,45 0.4,46 0.779,47 0.8,48 3,49 0.685,50 3.539,51 4.736,52 3.314,53 17,54 4.17,55 3.314,56 2,57 3.527,58 0.598,59 76,60 79.603,61 2.43,62 4.243,63 95.637,64 0.78,65 6.937,66 4.293,67 1.365,68 0.851,69 1,70 1,71 5.8}
{0 CHEMBL1999931,2 12.827,3 0.056,5 2,7 24.25,8 0.17,9 0.041,10 4.077,11 0.853,12 0.633,13 0.765,14 195.708,15 1.894,16 244.724,17 1.695,18 15.901,19 2,20 233.814,21 1.745,22 5,23 1.869,24 1.464,25 0.105,27 1.119,28 47.9,29 1.984,30 1,31 5.056,32 0.792,33 1,34 0.653,35 4.871,36 7,37 8.333,38 5.165,39 268.078,40 48,41 2,42 6,43 1,44 0.057,45 0.4,46 1.215,47 0.71,48 15,49 1.072,50 7.709,51 5.21,52 3.836,53 28,54 4.858,55 3.84,56 4,57 3.747,58 1.181,59 124.296,60 86.317,61 2.723,62 4.947,63 86.317,64 0.688,65 7.099,66 13.586,67 1.563,68 1.32,69 3,70 3,71 6.8}
{0 CHEMBL2000029,2 13.168,3 0.104,5 2,7 17.528,8 0.249,9 0.067,10 4.183,11 0.824,12 0.621,13 0.781,14 204.982,15 1.891,16 251.15,17 1.645,18 13.969,19 2,20 241.246,21 1.698,22 5,23 1.864,24 1.419,25 0.101,27 1.12,28 46.9,29 1.983,30 1,31 5.263,32 0.797,33 1,34 0.646,35 4.923,36 6,37 8.616,38 5.207,39 275.121,40 49,41 2,42 6,43 2,44 0.056,45 0.6,46 1.342,47 0.701,48 14,49 1.122,50 11.668,51 5.273,52 3.821,53 27,54 4.807,55 3.83,56 4,57 3.619,58 1.181,59 113.044,60 101.203,61 2.6,62 5.034,63 101.203,64 0.67,65 7.279,66 15.807,67 1.517,68 1.418,69 3,70 3,71 6}
{0 CHEMBL2000071,1 1,2 8.573,3 0.03,7 14.205,8 -0.117,9 0.044,10 4.493,11 0.994,12 0.663,13 0.56,14 161.753,15 1.584,16 151.042,17 1.614,18 8.984,19 1,20 169.362,21 1.622,22 3,23 1.519,24 1.418,25 0.148,27 1.13,28 41.7,29 1.817,30 3,31 4.466,32 0.894,33 2,34 1.54,35 4.705,36 5,37 7.614,38 4.715,39 186.117,40 36,41 1.778,42 4,43 3,44 0.021,45 0.6,46 1.116,47 0.668,48 9,49 0.874,50 7.701,51 4.781,52 3.443,53 16,54 4.087,55 3.447,56 2,57 3.054,58 0.942,59 73.196,60 68.367,61 1.967,62 4.583,63 68.367,64 0.638,65 6.725,66 13.117,67 1,68 1.062,69 2,70 2,71 5.9}
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{0 CHEMBL2000104,2 4.189,3 0.056,7 5.174,8 0.098,9 0.091,10 4.443,11 0.957,12 0.609,13 0.526,14 164.385,15 1.573,16 142.187,17 1.68,18 6.559,20 173.995,21 1.694,22 3,23 1.559,24 1.533,25 0.21,27 1.107,28 43.2,29 1.739,30 1,31 4.7,32 0.789,33 1,34 0.065,35 4.703,36 7,37 8.117,38 4.919,39 192.75,40 37,41 1.761,42 2,43 2,44 0.148,45 0.6,46 1.121,47 0.736,48 7,49 0.893,50 8.425,51 4.703,52 3.567,53 19,54 4.322,55 3.627,56 2,57 3.664,58 1.008,59 92.528,60 49.683,61 2.581,62 4.612,63 49.683,64 0.695,65 7.021,66 13.77,67 1.324,68 1.062,69 1,70 1,71 5.8}
{0 CHEMBL2000114,1 1,2 8.392,3 0.057,7 16.481,8 -0.188,9 0.033,10 4.548,11 0.945,12 0.672,13 0.487,14 136.452,15 1.491,16 106.031,17 1.459,18 11.313,19 1,20 136.452,21 1.404,22 2,23 1.443,24 1.151,25 0.257,27 1.14,28 33.3,29 1.679,30 3,31 3.761,32 0.938,33 2,34 1.607,35 4.548,36 6,37 5.859,38 4.393,39 147.207,40 30,41 1.601,42 4,43 4,44 0.045,45 0.8,46 0.865,47 0.664,48 7,49 0.7,50 5.756,51 4.548,52 3.176,53 10,54 3.459,55 3.237,56 1,57 2.879,58 0.645,59 58.363,60 68.367,61 1.758,62 4.331,63 68.367,64 0.621,65 6.049,66 14.972,67 0.872,68 0.865,69 2,70 2,71 5.8}
{0 CHEMBL2000271,2 8.645,3 0.051,5 1,7 13.685,8 0.106,9 0.053,10 4.738,11 0.968,12 0.616,13 0.758,14 246.384,15 1.739,16 226.722,17 1.804,18 13.036,19 1,20 272.913,21 1.792,22 4,23 1.71,24 1.621,25 0.102,27 1.122,28 44.2,29 1.875,30 3,31 4.736,32 0.905,33 2,34 2.051,35 5.248,36 5,37 7.845,38 4.981,39 296.423,40 52,41 1.876,42 4,43 5,44 0.047,45 0.8,46 1.303,47 0.675,48 13,49 1.023,50 13.568,51 5.301,52 3.732,53 22,54 4.524,55 3.717,56 3,57 3.652,58 1.228,59 118.745,60 83.009,61 2.642,62 5.143,63 83.009,64 0.636,65 6.826,66 19.548,67 1.506,68 1.281,69 2,70 2,71 5.8}
{0 CHEMBL2000335,2 8.341,3 0.098,7 24.827,8 0.028,9 0.076,10 4.407,11 0.803,12 0.643,13 0.724,14 207.15,15 1.748,16 230.491,17 1.607,18 18.168,20 226.801,21 1.633,22 4,23 1.717,24 1.398,25 0.115,27 1.118,28 44.7,29 1.886,31 4.779,32 0.786,35 4.826,36 7,37 7.914,38 5.059,39 261.066,40 47,41 1.789,42 5,43 2,44 0.04,45 0.6,46 1.251,47 0.712,48 7,49 0.872,50 8.485,51 5.139,52 3.749,53 23,54 4.585,55 3.76,56 3,57 3.649,58 1.181,59 125.105,60 102.49,61 2.594,62 4.94,63 102.49,64 0.674,65 6.896,66 16.702,67 1.634,68 1.313,69 2,70 2,71 5.8}
{0 CHEMBL2000345,2 4.488,3 0.027,5 2,7 10.169,8 -0.031,9 0.037,10 4.692,11 0.747,12 0.625,13 0.507,14 178.302,15 1.592,16 182.269,17 1.527,18 12.47,19 1,20 189.911,21 1.508,22 3,23 1.561,24 1.261,25 0.157,27 1.112,28 47.4,29 1.737,31 4.564,32 0.755,35 4.998,36 6,37 7.916,38 4.939,39 199.421,40 38,41 1.669,42 3,43 2,44 -0.005,45 0.6,46 1.098,47 0.733,48 9,49 0.713,50 5.973,51 4.998,52 3.501,53 18,54 4.248,55 3.492,56 2,57 3.591,58 1.046,59 100.417,60 64.63,61 2.549,62 4.669,63 110.585,64 0.702,65 6.891,66 9.902,67 1.615,68 1.104,69 1,70 1,71 6}
{0 CHEMBL2000354,3 0.068,7 15.157,8 -0.009,9 0.051,10 4.25,11 0.83,12 0.63,13 0.499,14 157.24,15 1.45,16 149.1,17 1.52,18 14.539,20 177.24,21 1.52,22 3,23 1.445,24 1.267,25 0.188,27 1.109,28 45.9,29 1.62,31 4.344,32 0.789,35 4.79,36 6,37 7.123,38 4.654,39 192.75,40 37,41 1.593,42 2,43 1,44 0.034,45 0.6,46 1.138,47 0.719,48 12,49 0.64,50 6.926,51 4.865,52 3.566,53 15,54 4,55 3.594,56 3,57 3.5,58 1.048,60 34.796,61 2.45,62 4.466,63 34.796,64 0.69,65 6.209,66 11.754,67 1.545,68 1.062,71 5.8}
{0 CHEMBL2000393,2 13.139,3 -0.118,4 1,7 37.083,8 -0.22,9 -0.023,10 4.969,11 1.033,12 0.734,13 0.893,14 223.624,15 1.718,16 197.26,17 1.706,18 27.218,19 1,20 241.133,21 1.704,22 6,23 1.672,24 1.514,25 0.107,26 1.487,27 1.137,28 46.7,29 1.87,30 2,31 5.606,32 0.827,33 1,34 0.739,35 5.359,36 10,37 8.522,38 5.224,39 247.133,40 45,41 1.779,42 6,43 3,44 0.043,45 0.4,46 1.108,47 0.703,48 9,49 0.919,50 8.09,51 5.403,52 3.723,53 23,54 4.585,55 3.693,56 3,57 3.937,58 1.054,59 212.383,60 103.311,61 2.834,62 4.977,63 73.391,64 0.71,65 7.277,66 11.106,67 2.202,68 1.181,69 3,70 3,71 8.3}
{0 CHEMBL2000481,3 0.034,7 16.035,8 0.113,9 0.089,10 4.359,11 1.054,12 0.621,13 0.848,14 235.38,15 1.837,16 249.006,17 1.838,18 17.323,20 278.399,21 1.824,22 4,23 1.813,24 1.607,25 0.13,27 1.122,28 42.6,29 1.94,30 2,31 4.934,32 0.819,33 2,34 0.268,35 5.156,36 10,37 7.668,38 5.095,39 310.764,40 54,41 1.94,42 5,43 2,44 0.157,45 0.6,46 1.247,47 0.696,48 16,49 1.039,50 12.045,51 5.459,52 3.776,53 23,54 4.585,55 3.78,56 3,57 3.814,58 1.183,60 101.864,61 2.796,62 5.09,63 101.864,64 0.673,65 6.779,66 17.537,67 1.815,68 1.405,71 5.8}
{0 CHEMBL2000508,2 8.748,3 -0.009,7 0.662,8 -0.123,9 0.001,10 4.131,11 0.795,12 0.667,13 0.507,14 128.07,15 1.482,16 147.512,17 1.464,18 1.628,19 1,20 137.58,21 1.44,22 4,23 1.427,24 1.361,25 0.138,27 1.11,28 51.6,29 1.674,31 4.82,32 0.747,35 4.438,36 5,37 8.193,38 4.94,39 153.58,40 31,41 1.6,42 3,44 0.054,45 0.4,46 1.158,47 0.763,48 6,49 0.673,50 6.644,51 4.438,52 3.677,53 21,54 4.459,55 3.697,56 3,57 3.417,58 0.854,60 49.818,61 2.295,62 4.329,63 34.858,64 0.734,65 7.142,66 8.162,67 1,68 1.062,69 2,70 2,71 5.8}
{0 CHEMBL2000568,2 4.352,3 0.026,5 1,7 1.842,8 -0.028,9 0.039,10 4.165,11 0.881,12 0.625,13 0.406,14 124.942,15 1.464,16 136.327,17 1.605,18 2.428,19 1,20 140.452,21 1.584,22 3,23 1.396,24 1.377,25 0.177,27 1.109,28 50,29 1.687,31 4.277,32 0.814,35 4.682,36 3,37 7.71,38 4.702,39 147.207,40 30,41 1.65,42 2,43 1,44 0.036,45 0.6,46 0.965,47 0.709,48 6,49 0.688,50 5.342,51 4.748,52 3.324,53 17,54 4.17,55 3.316,56 2,57 3.497,58 0.84,59 64.397,60 33.571,61 2.497,62 4.338,63 33.571,64 0.68,65 6.694,66 9.22,67 1,68 0.908,69 1,70 1,71 5.7}
{0 CHEMBL2000685,3 0.18,5 8,7 51.581,8 0.19,9 0.116,10 3.926,11 0.905,12 0.625,13 1.487,14 361.174,15 1.893,16 615.226,17 1.778,18 41.759,20 382.393,21 1.812,22 3,23 1.873,24 1.537,25 0.067,27 1.152,28 34.8,29 1.979,31 5.247,32 0.85,35 4.156,36 20,37 8.147,38 5.355,39 600.168,40 92,41 1.988,42 18,43 4,44 -0.031,45 0.5,46 1.625,47 0.646,48 10,49 1.095,50 23.327,51 4.186,52 3.841,53 28,54 4.858,55 3.842,56 3,57 3.899,58 1.52,60 432.503,61 2.898,62 5.597,63 432.503,64 0.626,65 7.163,66 29.896,67 2.76,68 1.741,71 6.7}
{0 CHEMBL2000724,2 8.477,3 0.106,7 6.285,8 0.133,9 0.07,10 4.124,11 0.781,12 0.62,13 0.552,14 160.846,15 1.757,16 214.857,17 1.573,18 7.907,19 1,20 187.376,21 1.606,22 4,23 1.728,24 1.287,25 0.145,27 1.11,28 51.3,29 1.865,31 4.898,32 0.74,35 4.805,36 5,37 8.422,38 5.087,39 206.131,40 39,41 1.871,42 4,43 1,44 0.017,45 0.4,46 1.181,47 0.725,48 9,49 0.941,50 9.27,51 4.958,52 3.68,53 23,54 4.585,55 3.682,56 3,57 3.542,58 1.18,59 94.226,60 81.171,61 2.517,62 4.713,63 81.171,64 0.703,65 7.201,66 10.203,67 1.607,68 1.209,69 2,70 2,71 5.6}
{0 CHEMBL2000801,2 4.193,3 0.022,7 24.048,8 -0.026,9 0.052,10 4.182,11 0.833,12 0.633,13 0.925,14 179.845,15 1.777,16 194.353,17 1.532,18 16.455,20 211.065,21 1.594,22 4,23 1.754,24 1.292,25 0.136,27 1.137,28 48.8,29 1.873,31 4.754,32 0.749,35 4.908,36 9,37 7.833,38 5.073,39 233.329,40 43,41 1.876,42 3,43 1,44 0.031,45 0.4,46 1.181,47 0.726,48 10,49 0.99,50 7.631,51 5.13,52 3.766,53 23,54 4.585,55 3.781,56 3,57 3.661,58 1.095,59 139.249,60 110.838,61 2.586,62 4.865,63 50.998,64 0.725,65 6.909,66 8.056,67 1.552,68 1.102,69 1,70 1,71 5.8}
{0 CHEMBL2000832,1 1,3 0.07,5 1,7 42.298,8 0.027,9 0.071,10 4.602,11 0.88,12 0.639,13 0.86,14 266.902,15 1.883,16 238.184,17 1.87,18 29.411,19 1,20 323.008,21 1.881,22 5,23 1.859,24 1.761,25 0.091,27 1.118,28 48.3,29 1.978,30 1,31 5.338,32 0.794,33 1,34 0.175,35 5.569,36 8,37 8.384,38 5.22,39 339.763,40 58,41 1.976,42 3,43 2,44 0.008,45 0.6,46 1.322,47 0.696,48 18,49 1.097,50 13.652,51 5.742,52 3.831,53 26,54 4.755,55 3.83,56 3,57 3.822,58 1.248,60 68.992,61 2.797,62 5.23,63 54.032,64 0.682,65 7.063,66 16.935,67 2.451,68 1.42,71 5.8}
{0 CHEMBL2000879,2 4.107,3 0.079,7 6.061,8 0.183,9 0.062,10 3.88,11 0.929,12 0.6,13 0.424,14 112.517,15 1.319,16 106.486,17 1.34,18 8.991,19 1,20 124.127,21 1.317,22 3,23 1.237,24 1.149,25 0.191,27 1.12,28 44.8,29 1.597,30 3,31 4.007,32 0.907,34 3.504,35 4.28,36 2,37 6.204,38 4.25,39 140.881,40 29,41 1.532,42 2,43 4,44 0.067,45 0.8,46 0.995,47 0.675,48 5,49 0.757,50 5.997,51 4.375,52 3.226,53 11,54 3.585,55 3.223,56 2,57 2.828,58 0.781,59 49.484,60 33.326,61 1.824,62 4.593,63 33.326,64 0.628,65 5.435,66 11.553,67 0.437,68 0.868,69 1,70 1,71 4.2}
{0 CHEMBL2000934,2 7.644,3 -0.015,7 25.872,8 -0.09,9 0.02,10 4.5,11 1.012,12 0.654,13 0.843,14 184.498,15 1.598,16 184.113,17 1.575,18 19.816,20 206.15,21 1.615,22 3,23 1.546,24 1.329,25 0.159,27 1.149,28 43.9,29 1.784,30 1,31 4.419,32 0.88,34 0.824,35 5.028,36 8,37 7.079,38 4.838,39 219.66,40 41,41 1.82,42 4,43 3,44 0.009,45 0.6,46 1.131,47 0.674,48 7,49 0.962,50 6.636,51 5.077,52 3.482,53 18,54 4.248,55 3.484,56 2,57 3.543,58 1.006,60 114.473,61 2.445,62 4.749,63 69.593,64 0.674,65 6.578,66 12.787,67 1.448,68 1.135,69 2,70 2,71 5.6}
{0 CHEMBL2001019,2 25.951,3 -0.048,5 5,7 16.058,8 -0.068,9 -0.013,10 4.951,11 1.007,12 0.688,13 0.774,14 217.85,15 1.593,16 208.834,17 1.718,18 12.435,19 2,20 234.215,21 1.738,22 5,23 1.528,24 1.537,25 0.1,27 1.133,28 43.2,29 1.847,30 3,31 5.136,32 0.857,33 3,34 0.999,35 5.323,36 9,37 8.56,38 5.192,39 240.215,40 44,41 1.798,42 8,43 3,44 0.066,45 0.4,46 1.249,47 0.694,48 11,49 0.949,50 6.792,51 5.323,52 3.691,53 26,54 4.755,55 3.651,56 3,57 3.796,58 1.168,59 106.083,60 103.776,61 2.726,62 4.833,63 103.776,64 0.682,65 7.297,66 13.457,67 1.618,68 1.387,69 6,70 6,71 5.6}
{0 CHEMBL2001224,2 7.811,3 -0.054,5 1,7 30.145,8 -0.174,9 -0.001,10 4.579,11 1.02,12 0.663,13 0.664,14 201.46,15 1.577,16 197.311,17 1.75,18 22.43,20 215.46,21 1.728,22 3,23 1.507,24 1.547,25 0.145,27 1.131,28 40.9,29 1.793,30 4,31 4.344,32 0.903,34 4.317,35 4.897,36 8,37 6.373,38 4.649,39 240.215,40 44,41 1.829,42 5,43 6,44 0.016,45 0.8,46 1.105,47 0.685,48 3,49 1.109,50 8.955,51 4.897,52 3.696,53 14,54 3.907,55 3.681,56 3,57 3.492,58 1.035,60 100.652,61 2.395,62 4.822,63 100.652,64 0.66,65 5.912,66 15.331,67 1.974,68 1.198,69 2,70 2,71 5.8}
{0 CHEMBL2001228,1 1,2 14.199,3 -0.025,4 1,5 1,7 44.533,8 -0.161,9 0.008,10 4.952,11 0.886,12 0.688,13 1.122,14 341.714,15 1.875,16 285.781,17 1.915,18 29.023,19 2,20 386.733,21 1.92,22 7,23 1.854,24 1.769,25 0.073,26 2.286,27 1.12,28 46.4,29 1.971,30 4,31 5.624,32 0.807,33 4,34 3.093,35 5.605,36 12,37 8.897,38 5.508,39 421.488,40 69,41 1.962,42 7,43 4,44 0.038,45 0.3,46 1.513,47 0.725,48 20,49 1.054,50 16.478,51 5.819,52 3.855,53 34,54 5.129,55 3.851,56 6,57 3.855,58 1.36,60 105.749,61 2.76,62 5.316,63 90.789,64 0.699,65 7.586,66 21.585,67 2.334,68 1.504,69 3,70 3,71 5.6}
{0 CHEMBL2001239,1 1,2 11.45,3 0.057,4 2,7 34.589,8 -0.098,9 0.077,10 4.772,11 0.869,12 0.675,13 0.9,14 209.95,15 1.631,16 218.933,17 1.676,18 23.318,19 1,20 223.46,21 1.741,22 3,23 1.563,24 1.438,25 0.143,27 1.156,28 40.9,29 1.845,30 1,31 4.828,32 0.759,33 1,34 -0.57,35 5.079,36 12,37 7.742,38 4.881,39 240.215,40 44,41 1.708,42 6,43 2,44 -0.033,45 0.4,46 1.181,47 0.686,48 8,49 0.701,50 8.705,51 5.079,52 3.564,53 19,54 4.322,55 3.512,56 3,57 3.615,58 1.102,60 164.156,61 2.518,62 4.835,63 119.275,64 0.698,65 6.581,66 9.675,67 1.926,68 1.178,69 3,70 3,71 5.8}
{0 CHEMBL2001257,2 4.41,3 0.055,7 33.376,8 -0.02,9 0.045,10 4.859,11 0.9,12 0.621,13 0.94,14 310.98,15 1.843,16 276.367,17 1.895,18 27.434,20 332.98,21 1.891,22 4,23 1.824,24 1.682,25 0.094,26 2.269,27 1.119,28 43.8,29 1.953,30 3,31 5.1,32 0.885,33 3,34 2.674,35 5.203,36 7,37 8.447,38 5.188,39 384,40 64,41 1.95,42 5,43 6,44 0.05,45 0.8,46 1.553,47 0.692,48 14,49 1.131,50 14.865,51 5.308,52 3.781,53 24,54 4.644,55 3.788,56 3,57 3.66,58 1.417,59 161.439,60 88.829,61 2.629,62 5.245,63 88.829,64 0.646,65 7.232,66 25.313,67 2.136,68 1.505,69 1,70 1,71 5.9}
{0 CHEMBL2001288,2 12.205,3 0.045,7 18.574,8 -0.097,9 0.078,10 4.515,11 0.556,12 0.713,13 0.51,14 144.49,15 1.48,16 101.373,17 1.381,18 14.107,19 1,20 154,21 1.416,22 3,23 1.439,24 1.12,25 0.164,27 1.147,28 31.3,29 1.722,30 1,31 4.663,32 0.706,33 1,34 -0.401,35 4.813,36 10,37 6.712,38 4.631,39 160,40 32,41 1.616,42 5,43 5,44 -0.011,45 1,46 0.877,47 0.705,48 5,49 0.831,50 5.475,51 4.875,52 3.111,53 10,54 3.459,55 3.415,56 2,57 3.33,58 0.657,59 71.135,60 84.908,61 2.231,62 4.654,63 84.908,64 0.668,65 6.453,66 5.999,67 1.267,68 0.998,69 3,70 3,71 5.8}
{0 CHEMBL2001485,2 8.897,3 0.037,7 34.714,8 -0.036,9 0.035,10 5.014,11 0.92,12 0.647,13 1.065,14 340.928,15 1.847,16 288.381,17 1.916,18 26.913,19 1,20 358.928,21 1.923,22 5,23 1.828,24 1.704,25 0.089,26 1.553,27 1.123,28 42.6,29 1.95,31 5.412,32 0.875,35 5.278,36 10,37 8.764,38 5.352,39 413.947,40 68,41 1.91,42 7,43 5,44 0.054,45 0.5,46 1.533,47 0.691,48 15,49 1.089,50 16.59,51 5.396,52 3.818,53 29,54 4.907,55 3.811,56 4,57 3.793,58 1.417,59 176.669,60 107.268,61 2.765,62 5.393,63 107.268,64 0.655,65 7.429,66 25.795,67 2.294,68 1.533,69 2,70 2,71 5.8}
{0 CHEMBL2001539,2 4.062,3 0.139,7 2.941,8 0.262,9 0.092,10 3.922,11 0.67,12 0.625,13 0.312,14 78.439,15 1.269,16 75.054,17 1.237,18 5.708,19 1,20 82.439,21 1.215,22 3,23 1.221,24 1.032,25 0.233,27 1.108,28 45,29 1.478,30 2,31 3.892,32 0.709,34 2.318,35 4.122,36 3,37 5.932,38 4.273,39 86.439,40 20,41 1.371,42 2,43 2,44 0.066,45 0.8,46 0.248,47 0.747,48 1,49 0.525,50 1.965,51 4.122,52 3.068,53 10,54 3.459,55 3.076,56 1,57 2.712,59 54.048,60 33.326,61 1.68,62 3.949,63 33.326,64 0.691,65 5.799,66 7.886,67 -0.472,68 0.033,69 1,70 1,71 4.3}
{0 CHEMBL2001547,1 1,2 17.765,3 -0.059,4 1,7 17.95,8 -0.187,9 -0.003,10 4.85,11 1.103,12 0.677,13 0.969,14 257.05,15 1.756,16 218.671,17 1.841,18 16.265,19 1,20 277.315,21 1.839,22 4,23 1.705,24 1.659,25 0.1,27 1.144,28 41.5,29 1.943,30 2,31 5.375,32 0.95,33 1,34 0.876,35 5.232,36 9,37 8.722,38 5.138,39 303.58,40 53,41 1.939,42 6,43 6,44 0.03,45 0.8,46 1.414,47 0.664,48 6,49 1.084,50 12.069,51 5.232,52 3.664,53 22,54 4.524,55 3.642,56 3,57 3.827,58 1.299,59 122.389,60 116.36,61 2.737,62 5.179,63 86.439,64 0.648,65 7.441,66 18.808,67 1.96,68 1.332,69 4,70 4,71 5.8}
{0 CHEMBL2001584,1 1,2 4.366,3 -0.034,5 1,7 49.792,8 -0.154,9 0.009,10 5.04,11 1.113,12 0.648,13 1.17,14 408.205,15 1.865,16 261.25,17 1.911,18 39.802,20 439.489,21 1.922,22 5,23 1.833,24 1.719,25 0.077,26 3.169,27 1.126,28 42,29 2.006,30 5,31 5.252,32 0.982,33 5,34 1.759,35 5.426,36 10,37 7.868,38 5.269,39 513.528,40 81,41 1.969,42 5,43 10,44 0.04,45 0.9,46 1.531,47 0.66,48 23,49 1.2,50 23.709,51 5.5,52 3.814,53 23,54 4.585,55 3.8,56 5,57 3.962,58 1.513,60 59.056,61 2.917,62 5.681,63 59.056,64 0.631,65 6.899,66 31.96,67 2.519,68 1.477,69 1,70 1,71 5.6}
{0 CHEMBL2001613,2 3.864,3 0.163,7 1.838,8 0.336,9 0.124,10 3.703,11 0.468,12 0.614,13 0.242,14 59.245,15 0.937,16 69.527,17 0.98,18 3.801,19 1,20 64,21 0.941,22 2,23 0.916,24 0.731,25 0.265,27 1.117,28 43.8,29 1.081,31 2.996,32 0.544,35 4,36 4,38 4.243,39 64,40 16,41 1.039,42 2,44 -0.013,45 0.4,47 0.771,48 3,49 0.126,50 1.113,51 4,52 2.811,53 10,54 3.459,55 2.837,56 1,57 2.772,59 32.833,60 33.326,61 1.661,62 3.511,63 79.28,64 0.74,65 5.774,66 2.318,67 -0.875,69 1,70 1,71 4.6}
{0 CHEMBL2001641,2 11.961,3 0.057,5 1,7 16.653,8 0.185,9 0.03,10 4.236,11 0.981,12 0.639,13 0.519,14 131.315,15 1.318,16 142.711,17 1.485,18 12.653,19 2,20 136.07,21 1.522,22 3,23 1.233,24 1.269,25 0.185,27 1.141,28 38.7,29 1.608,31 4.304,32 0.889,35 4.389,36 6,37 7.588,38 4.67,39 153.58,40 31,41 1.469,42 5,43 3,44 0.049,45 0.8,46 1.021,47 0.662,48 3,49 0.523,50 3.444,51 4.389,52 3.303,53 15,54 4,55 3.282,56 2,57 3.596,58 0.826,59 67.124,60 68.306,61 2.519,62 4.637,63 68.306,64 0.643,65 6.596,66 10.819,67 0.688,68 1.074,69 3,70 3,71 4.5}
{0 CHEMBL2001751,2 4.361,3 0.046,7 18.632,8 0.035,9 0.065,10 5.187,11 0.896,12 0.653,13 0.846,14 311.194,15 1.741,16 273.525,17 1.816,18 16.112,19 1,20 346.413,21 1.819,22 6,23 1.715,24 1.673,25 0.089,27 1.113,28 48.3,29 1.899,30 2,31 5.288,32 0.801,33 1,34 1.067,35 5.774,36 7,37 8.207,38 5.323,39 354.413,40 60,41 1.889,42 4,43 3,44 0.039,45 0.6,46 1.572,47 0.7,48 14,49 1.071,50 14.252,51 5.807,52 3.779,53 29,54 4.907,55 3.763,56 4,57 3.837,58 1.29,59 315.647,60 84.479,61 2.817,62 5.214,63 84.479,64 0.675,65 7.209,66 19.374,67 1.977,68 1.586,69 1,70 1,71 6.5}
{0 CHEMBL2001920,3 0.094,7 15.473,8 0.124,9 0.107,10 4.143,11 0.489,12 0.639,13 0.287,14 95.287,15 1.264,16 87.593,17 1.205,18 14.277,20 104.042,21 1.165,22 3,23 1.263,24 1.046,25 0.244,27 1.084,28 47.8,29 1.46,31 4.431,32 0.49,35 4.524,36 7,37 6.592,38 4.491,39 104.042,40 23,41 1.255,42 2,44 -0.017,45 0.4,46 0.373,47 0.874,48 3,49 0.254,50 2.124,51 4.524,52 3.22,53 10,54 3.459,55 3.263,56 2,57 3.252,58 0.061,59 61.723,60 36.022,61 2.148,62 3.913,63 81.976,64 0.823,65 6.185,66 9.144,67 1.583,68 0.312,71 5.8}
{0 CHEMBL2001923,1 1,2 4.242,3 -0.031,7 66.777,8 -0.092,9 0.02,10 5.1,11 0.994,12 0.67,13 1.387,14 418.194,15 1.912,16 299.776,17 2.005,18 44.122,19 2,20 474.564,21 2.005,22 8,23 1.886,24 1.894,25 0.064,26 2.299,27 1.126,28 47.6,29 2.027,30 7,31 5.866,32 0.867,33 6,34 4.48,35 5.787,36 11,37 9.065,38 5.602,39 521.319,40 82,41 2.008,42 5,43 7,44 0.048,45 0.5,46 1.649,47 0.691,48 25,49 1.194,50 24.055,51 5.845,52 3.855,53 35,54 5.17,55 3.849,56 5,57 3.92,58 1.605,59 211.888,60 102.711,61 2.796,62 5.626,63 57.83,64 0.674,65 7.623,66 27.63,67 2.628,68 1.682,69 1,70 1,71 5.7}
{0 CHEMBL2001987,2 6.984,3 -0.014,7 27.013,8 -0.09,9 0.032,10 4.322,11 0.952,12 0.673,13 0.953,14 151.26,15 1.473,16 178.333,17 1.494,18 19.433,20 170.77,21 1.53,22 3,23 1.433,24 1.249,25 0.159,27 1.171,28 45.7,29 1.646,31 4.419,32 0.793,35 4.879,36 10,37 7.158,38 4.885,39 179.525,40 35,41 1.617,42 4,43 1,44 -0.016,45 0.4,46 0.911,47 0.685,48 6,49 0.649,50 4.196,51 4.993,52 3.392,53 18,54 4.248,55 3.38,56 2,57 3.557,58 0.856,60 144.393,61 2.443,62 4.577,63 69.593,64 0.724,65 6.586,66 5.038,67 1.708,68 0.972,69 2,70 2,71 5.6}
{0 CHEMBL2001998,2 8.692,3 -0.071,5 2,7 35.496,8 -0.165,9 -0.005,10 4.954,11 1.127,12 0.676,13 0.968,14 302.191,15 1.795,16 237.579,17 1.786,18 29.185,19 1,20 329.02,21 1.783,22 5,23 1.725,24 1.546,25 0.107,26 4.229,27 1.132,28 41,29 1.958,30 8,31 5.288,32 0.968,33 6,34 6.654,35 5.394,36 9,37 8.322,38 5.068,39 361.775,40 61,41 1.941,42 7,43 9,44 0.067,45 0.8,46 1.513,47 0.665,48 20,49 1.108,50 16.685,51 5.394,52 3.677,53 19,54 4.322,55 3.663,56 3,57 3.754,58 1.364,59 128.276,60 105.43,61 2.635,62 5.332,63 105.43,64 0.637,65 7.082,66 24.689,67 2.186,68 1.54,69 2,70 2,71 5.8}
{0 CHEMBL2002099,2 13.183,3 -0.046,7 4.471,8 -0.125,9 0.003,10 4.577,11 1.077,12 0.674,13 0.682,14 187.66,15 1.577,16 184.598,17 1.697,18 6.822,19 2,20 197.66,21 1.708,22 4,23 1.507,24 1.473,25 0.156,27 1.134,28 41.5,29 1.793,30 5,31 4.71,32 0.944,34 5.413,35 4.821,36 6,37 7.705,38 4.804,39 219.66,40 41,41 1.86,42 6,43 7,44 0.074,45 0.8,46 1.287,47 0.673,48 2,49 1.022,50 9.929,51 4.821,52 3.616,53 16,54 4.087,55 3.603,56 3,57 3.498,58 1.089,59 89.897,60 99.856,61 2.452,62 4.931,63 99.856,64 0.641,65 6.75,66 15.972,67 1.345,68 1.442,69 3,70 3,71 8.5}
{0 CHEMBL2002105,2 7.91,3 0.159,7 3.176,8 0.157,9 0.139,10 3.875,11 0.463,12 0.659,13 0.289,14 62,15 0.951,16 111.204,17 0.929,18 4.806,19 1,20 62,21 0.904,22 2,23 0.913,24 0.603,25 0.262,27 1.141,28 37.5,29 1.178,31 2.996,32 0.526,35 3.875,36 5,38 4.243,39 64,40 16,41 1.06,42 4,44 -0.014,45 0.4,47 0.759,48 1,49 0.063,50 1.264,51 3.875,52 2.659,53 10,54 3.459,55 2.637,56 1,57 2.754,59 32.833,60 83.009,61 1.636,62 3.556,63 128.963,64 0.727,65 5.774,66 3.163,67 -0.876,69 2,70 2,71 5}
{0 CHEMBL2002202,3 0.062,7 11.015,8 0.067,9 0.058,10 3.629,11 0.721,12 0.618,13 0.325,14 97.976,15 1.36,16 107.398,17 1.196,18 9.346,20 115.627,21 1.195,22 3,23 1.301,24 1.052,25 0.191,27 1.101,28 51.9,29 1.625,30 1,31 4.248,32 0.72,33 1,34 0.634,35 4.282,36 3,37 7.057,38 4.505,39 128.382,40 27,41 1.562,42 1,43 1,44 0.005,45 0.6,46 0.807,47 0.745,48 9,49 0.699,50 4.261,51 4.385,52 3.215,53 13,54 3.807,55 3.204,56 2,57 3.192,58 0.543,59 59.86,60 18.011,61 2.031,62 4.253,63 18.011,64 0.711,65 6.248,66 6.966,67 1,68 0.756,71 4}
{0 CHEMBL2002322,2 3.841,3 0.113,7 12.129,8 0.029,9 0.104,10 4.102,11 0.758,12 0.635,13 1.026,14 139.464,15 1.535,16 143.326,17 1.414,18 11.734,20 147.464,21 1.532,22 3,23 1.538,24 1.179,25 0.16,27 1.166,28 47.1,29 1.68,31 4.934,32 0.701,35 4.337,36 10,37 8.214,38 4.937,39 172.974,40 34,41 1.538,42 2,43 2,44 -0.017,45 0.4,46 0.933,47 0.715,48 4,49 0.685,50 4.823,51 4.337,52 3.328,53 17,54 4.17,55 3.32,56 2,57 4.059,58 0.643,59 100.196,60 139.443,61 2.676,62 4.673,63 49.683,64 0.747,65 7.102,66 4.577,67 1.634,68 0.965,69 1,70 1,71 5.8}
{0 CHEMBL2002323,2 7.655,3 0.038,7 4.633,8 0.005,9 0.044,10 4.225,11 0.897,12 0.653,13 0.542,14 122.517,15 1.283,16 155.056,17 1.444,18 7.215,19 1,20 134.127,21 1.415,22 3,23 1.199,24 1.196,25 0.162,27 1.138,28 44.8,29 1.566,31 4.382,32 0.809,35 4.625,36 5,37 7.695,38 4.735,39 140.881,40 29,41 1.5,42 4,43 1,44 0.028,45 0.6,46 0.911,47 0.69,48 5,49 0.572,50 4.639,51 4.625,52 3.201,53 16,54 4.087,55 3.18,56 2,57 3.229,58 0.738,59 62.138,60 82.47,61 2.219,62 4.44,63 67.51,64 0.675,65 6.728,66 8.573,67 0.749,68 0.925,69 2,70 2,71 5.8}
{0 CHEMBL2002346,1 1,2 12.996,3 -0.014,5 1,7 15.848,8 -0.144,9 0.025,10 4.386,11 0.925,12 0.674,13 0.602,14 166.666,15 1.735,16 205.526,17 1.627,18 9.712,19 1,20 186.666,21 1.64,22 4,23 1.686,24 1.405,25 0.122,27 1.12,28 47.4,29 1.899,30 1,31 4.595,32 0.819,33 1,34 0.729,35 4.912,36 5,37 7.82,38 4.906,39 199.421,40 38,41 1.828,42 5,43 1,44 0.049,45 0.6,46 1.174,47 0.706,48 10,49 0.839,50 6.821,51 4.985,52 3.629,53 22,54 4.524,55 3.605,56 3,57 3.478,58 1.032,59 86.441,60 85.153,61 2.442,62 4.637,63 85.153,64 0.677,65 6.768,66 11.748,67 1.222,68 1.062,69 3,70 3,71 7.2}
{0 CHEMBL2002407,2 3.719,3 0.139,5 1,7 11.431,8 0.18,9 0.1,10 4.578,11 0.829,12 0.619,13 0.495,14 146.49,15 1.404,16 230.218,17 1.53,18 13.177,19 1,20 153.245,21 1.515,22 2,23 1.353,24 1.198,25 0.187,27 1.13,28 43.8,29 1.642,31 3.932,32 0.735,35 4.789,36 7,37 7.091,38 4.697,39 160,40 32,41 1.57,42 5,43 1,44 -0.035,45 0.4,46 0.997,47 0.694,48 7,49 0.574,50 4.844,51 4.789,52 3.318,53 14,54 3.907,55 3.296,56 2,57 3.403,58 0.947,60 128.342,61 2.354,62 4.445,63 128.342,64 0.691,65 6.218,66 8.197,67 1.469,68 1.109,69 1,70 1,71 5.8}
{0 CHEMBL2002446,2 4.675,3 0.011,7 34.315,8 -0.05,9 0.029,10 4.981,11 0.971,12 0.652,13 0.939,14 313.814,15 1.688,16 177.703,17 1.723,18 26.301,19 1,20 325.814,21 1.717,22 6,23 1.671,24 1.591,25 0.091,26 4.971,27 1.119,28 42.9,29 1.775,30 10,31 5.398,32 0.938,33 7,34 10.614,35 5.172,36 6,37 8.429,38 5.047,39 376.569,40 63,41 1.775,42 4,43 12,44 0.096,45 0.8,46 1.513,47 0.683,48 21,49 1.041,50 17.067,51 5.299,52 3.782,53 17,54 4.17,55 3.795,56 4,57 3.649,58 1.513,59 117.909,60 39.575,61 2.632,62 5.373,63 39.575,64 0.632,65 7.135,66 29.116,67 2.233,68 1.499,69 1,70 1,71 5.8}
{0 CHEMBL2002450,2 3.834,3 0.063,7 7.151,8 0.149,9 0.057,10 3.94,11 0.894,12 0.639,13 0.417,14 118.187,15 1.27,16 151.062,17 1.414,18 7.476,20 129.697,21 1.453,22 3,23 1.228,24 1.112,25 0.163,27 1.116,28 46.7,29 1.55,31 4.331,32 0.806,35 4.323,36 4,37 7.611,38 4.728,39 147.207,40 30,41 1.572,42 2,43 1,44 0.048,45 0.6,46 1.025,47 0.691,48 9,49 0.578,50 5.649,51 4.415,52 3.162,53 16,54 4.087,55 3.139,56 2,57 3.261,58 0.816,59 62.274,60 52.494,61 2.223,62 4.379,63 52.494,64 0.67,65 6.728,66 9.607,67 1,68 1.062,69 1,70 1,71 4.1}
{0 CHEMBL2002586,1 2,2 9.337,3 -0.008,4 1,5 2,7 51.86,8 -0.184,9 0.02,10 4.704,11 0.903,12 0.704,13 0.752,14 221.066,15 1.624,16 152.867,17 1.557,18 29.362,19 1,20 229.066,21 1.534,22 5,23 1.573,24 1.414,25 0.108,26 2.251,27 1.125,28 40.4,29 1.819,30 6,31 4.942,32 0.858,33 4,34 5.612,35 4.874,36 8,37 7.762,38 4.882,39 261.066,40 47,41 1.787,42 5,43 7,44 0.046,45 0.8,46 1.349,47 0.704,48 13,49 0.956,50 11.889,51 4.916,52 3.719,53 16,54 4.087,55 3.735,56 4,57 3.616,58 1.164,59 114.308,60 72.717,61 2.562,62 4.86,63 72.717,64 0.661,65 6.733,66 19.411,67 2.017,68 1.374,69 2,70 2,71 5.9}
{0 CHEMBL2002599,2 12.424,3 -0.091,5 1,7 38.55,8 -0.268,9 -0.003,10 4.668,11 1.113,12 0.714,13 0.784,14 224.078,15 1.64,16 193.828,17 1.771,18 25.715,20 242.078,21 1.772,22 5,23 1.589,24 1.566,25 0.112,26 2.397,27 1.132,28 41.7,29 1.805,30 4,31 5.037,32 0.922,33 4,34 3.718,35 5.043,36 8,37 7.647,38 4.896,39 268.078,40 48,41 1.837,42 6,43 6,44 0.066,45 0.8,46 1.352,47 0.672,48 12,49 1.024,50 10.407,51 5.085,52 3.669,53 18,54 4.248,55 3.638,56 3,57 3.575,58 1.164,60 89.502,61 2.484,62 5.083,63 89.502,64 0.651,65 6.722,66 18.299,67 1.535,68 1.366,69 3,70 3,71 5.6}
{0 CHEMBL2002613,2 12.864,3 -0.024,5 2,7 34.715,8 0.076,9 0.009,10 4.552,11 1.001,12 0.647,13 0.87,14 254.893,15 1.885,16 258.025,17 1.7,18 24.528,19 2,20 286.947,21 1.754,22 5,23 1.871,24 1.465,25 0.094,27 1.124,28 44.6,29 1.979,30 1,31 5.159,32 0.869,33 1,34 0.632,35 5.124,36 9,37 8.4,38 5.247,39 325.212,40 56,41 1.967,42 6,43 3,44 0.064,45 0.6,46 1.508,47 0.687,48 19,49 1.075,50 9.711,51 5.173,52 3.85,53 28,54 4.858,55 3.842,56 4,57 3.808,58 1.335,59 145.339,60 86.317,61 2.745,62 5.1,63 86.317,64 0.669,65 7.177,66 18.666,67 1.999,68 1.502,69 3,70 3,71 5.5}
{0 CHEMBL2002649,2 4.086,3 -0.037,5 1,7 15.343,8 -0.135,9 0.024,10 4.53,11 0.988,12 0.681,13 0.445,14 131.372,15 1.375,16 139.869,17 1.537,18 11.833,19 1,20 136.127,21 1.533,22 3,23 1.292,24 1.216,25 0.183,27 1.123,28 44.8,29 1.651,31 4.344,32 0.827,35 4.694,36 5,37 6.968,38 4.55,39 140.881,40 29,41 1.567,42 3,43 1,44 0.033,45 0.6,46 1.007,47 0.689,48 7,49 0.574,50 4.051,51 4.694,52 3.318,53 13,54 3.807,55 3.291,56 2,57 3.337,58 0.66,59 64.754,60 51.582,61 2.27,62 4.241,63 51.582,64 0.676,65 6.28,66 9.171,67 0.857,68 0.938,69 1,70 1,71 6.3}
{0 CHEMBL2002690,2 4.271,3 0.117,7 19.493,8 0.053,9 0.084,10 3.765,11 0.738,12 0.635,13 0.567,14 154.375,15 1.757,16 183.316,17 1.645,18 13.88,20 192.64,21 1.679,22 4,23 1.724,24 1.423,25 0.123,27 1.105,28 48.8,29 1.874,31 4.585,32 0.721,35 4.699,36 6,37 7.326,38 4.984,39 219.66,40 41,41 1.897,42 3,44 0.026,45 0.4,46 1.181,47 0.735,48 12,49 0.944,50 7.871,51 5.162,52 3.672,53 23,54 4.585,55 3.679,56 3,57 3.444,58 1.065,59 107.37,60 52.807,61 2.372,62 4.668,63 52.807,64 0.703,65 6.712,66 11.226,67 1.483,68 1.085,69 1,70 1,71 5.6}
{0 CHEMBL2002702,3 0.063,7 15.104,8 0.032,9 0.062,10 4.09,11 0.895,12 0.625,13 0.452,14 130.881,15 1.61,16 131.836,17 1.559,18 12.37,19 1,20 148.49,21 1.579,22 3,23 1.555,24 1.345,25 0.183,27 1.116,28 46.9,29 1.795,31 4.304,32 0.843,35 4.64,36 3,37 7.037,38 4.581,39 160,40 32,41 1.794,42 2,43 2,44 0.031,45 0.6,46 1.078,47 0.689,48 6,49 0.87,50 6.61,51 4.703,52 3.33,53 13,54 3.807,55 3.324,56 2,57 3.181,58 1.041,59 64.336,60 34.796,61 2.184,62 4.54,63 34.796,64 0.654,65 6.246,66 11.203,67 0.895,68 0.979,71 6.7}
{0 CHEMBL2002723,2 12.681,3 0.039,5 1,7 17.259,8 0.053,9 0.041,10 4.054,11 0.931,12 0.663,13 0.554,14 129.735,15 1.456,16 184.762,17 1.441,18 16.326,19 1,20 141.245,21 1.495,22 3,23 1.402,24 1.156,25 0.161,27 1.139,28 40.6,29 1.711,31 4.5,32 0.815,35 4.414,36 7,37 7.808,38 4.715,39 160,40 32,41 1.705,42 6,43 1,44 0.029,45 0.4,46 1,47 0.68,48 6,49 0.717,50 4.69,51 4.539,52 3.327,53 17,54 4.17,55 3.301,56 2,57 3.425,58 0.873,59 79.213,60 102.674,61 2.373,62 4.41,63 102.674,64 0.669,65 6.77,66 9.299,67 1,68 1.062,69 3,70 3,71 5.7}
{0 CHEMBL2002726,2 8.598,3 0.055,5 1,7 9.41,8 0.112,9 0.055,10 4.634,11 0.944,12 0.62,13 0.719,14 227.082,15 1.735,16 224.616,17 1.761,18 11.017,19 1,20 253.611,21 1.772,22 4,23 1.707,24 1.544,25 0.105,27 1.121,28 44.9,29 1.866,30 2,31 4.691,32 0.88,33 1,34 1.226,35 5.176,36 5,37 7.833,38 4.967,39 275.121,40 49,41 1.849,42 4,43 4,44 0.046,45 0.6,46 1.231,47 0.68,48 12,49 0.967,50 11.871,51 5.232,52 3.731,53 22,54 4.524,55 3.716,56 3,57 3.615,58 1.181,59 112.937,60 83.009,61 2.599,62 5.045,63 83.009,64 0.644,65 6.814,66 17.865,67 1.492,68 1.222,69 2,70 2,71 5.9}
{0 CHEMBL2002992,2 4.23,3 0.063,7 15.179,8 -0.003,9 0.066,10 4.571,11 1.096,12 0.643,13 0.659,14 196.574,15 1.529,16 152.239,17 1.688,18 12.427,19 1,20 206.574,21 1.692,22 3,23 1.465,24 1.464,25 0.162,27 1.138,28 37.2,29 1.763,30 4,31 4.159,32 1.015,34 3.954,35 4.804,36 5,37 6.236,38 4.512,39 233.329,40 43,41 1.786,42 4,43 8,44 0.029,45 0.8,46 1.225,47 0.636,48 3,49 1.012,50 10.165,51 4.804,52 3.398,53 11,54 3.585,55 3.391,56 2,57 3.59,58 1.175,59 85.554,60 84.479,61 2.576,62 5.103,63 84.479,64 0.594,65 6.06,66 18.424,67 1,68 1.185,69 1,70 1,71 5.8}
{0 CHEMBL2003271,3 0.15,7 16.802,8 0.221,9 0.119,10 4.104,11 0.541,12 0.625,13 0.411,14 135.445,15 1.561,16 138.296,17 1.434,18 14.113,20 153.71,21 1.477,22 3,23 1.561,24 1.177,25 0.141,27 1.098,28 48.5,29 1.7,31 4.644,32 0.555,35 4.658,36 8,37 7.412,38 4.921,39 166.465,40 33,41 1.561,42 2,44 -0.02,45 0.4,46 0.84,47 0.817,48 6,49 0.729,50 4.594,51 4.741,52 3.431,53 18,54 4.248,55 3.453,56 2,57 3.6,58 0.79,59 96.7,60 50.908,61 2.457,62 4.405,63 50.908,64 0.781,65 6.769,66 1.25,67 1.953,68 0.918,71 5.8}
{0 CHEMBL2003286,3 0.098,5 1,7 8.592,8 0.039,9 0.071,10 4.335,11 0.814,12 0.632,13 0.352,14 112.702,15 1.223,16 84.553,17 1.411,18 10.216,20 117.457,21 1.405,22 2,23 1.213,24 1.178,25 0.267,27 1.112,28 42.3,29 1.525,31 3.714,32 0.76,35 4.518,36 6,37 5.973,38 4.252,39 122.211,40 26,41 1.487,42 1,43 1,44 0.01,45 0.4,46 0.568,47 0.712,48 7,49 0.555,50 3.84,51 4.518,52 3.023,53 9,54 3.322,55 3.004,56 2,57 3.18,58 0.472,60 18.011,61 2.128,62 4.069,63 18.011,64 0.699,65 5.641,66 8.097,67 0.941,68 0.732,71 5.8}
{0 CHEMBL2003456,2 4.192,3 0.04,7 15.401,8 -0.063,9 0.057,10 3.673,11 0.846,12 0.672,13 0.391,14 91.832,15 1.252,16 134.444,17 1.149,18 9.679,20 105.342,21 1.144,22 3,23 1.203,24 0.974,25 0.201,27 1.118,28 48,29 1.552,31 4.19,32 0.748,35 4.214,36 4,37 6.855,38 4.407,39 116.096,40 25,41 1.366,42 3,44 0.02,45 0.4,46 0.81,47 0.71,48 6,49 0.265,50 3.067,51 4.324,52 3.171,53 13,54 3.807,55 3.136,56 2,57 2.996,58 0.381,59 54.107,60 52.807,61 1.979,62 4.108,63 52.807,64 0.694,65 6.174,66 6.512,67 0.606,68 0.76,69 1,70 1,71 5.8}
{0 CHEMBL2003482,2 4.211,3 0.067,7 16.748,8 0.127,9 0.055,10 4.317,11 0.844,12 0.632,13 0.495,14 142.465,15 1.534,16 119.041,17 1.575,18 15.894,19 1,20 150.465,21 1.584,22 3,23 1.481,24 1.372,25 0.173,27 1.125,28 42.4,29 1.706,30 4,31 3.829,32 0.829,34 3.443,35 4.56,36 5,37 5.938,38 4.426,39 166.465,40 33,41 1.684,42 3,43 4,44 0.012,45 0.8,46 0.915,47 0.694,48 4,49 0.951,50 5.442,51 4.56,52 3.329,53 12,54 3.7,55 3.311,56 2,57 3.287,58 0.755,60 51.337,61 2.209,62 4.514,63 51.337,64 0.66,65 5.456,66 11.472,67 1,68 0.992,69 1,70 1,71 5.8}
{0 CHEMBL2003514,2 12.477,3 -0.088,5 1,7 18.055,8 -0.202,9 -0.019,10 4.472,11 1.093,12 0.65,13 0.632,14 192.31,15 1.681,16 202.955,17 1.679,18 13.021,20 209.82,21 1.67,22 3,23 1.646,24 1.444,25 0.133,27 1.124,28 44.2,29 1.83,31 4.22,32 0.937,35 4.88,36 6,37 7,38 4.756,39 233.329,40 43,41 1.79,42 4,43 3,44 0.048,45 0.6,46 1.181,47 0.681,48 10,49 0.847,50 9.314,51 4.88,52 3.614,53 19,54 4.322,55 3.598,56 3,57 3.646,58 1.098,60 68.367,61 2.635,62 4.811,63 68.367,64 0.656,65 6.26,66 14.819,67 1.151,68 1.062,69 3,70 3,71 5.6}
{0 CHEMBL2003524,2 4.333,3 -0.089,5 2,7 14.262,8 -0.157,9 -0.007,10 4.15,11 1.134,12 0.667,13 0.494,14 145.26,15 1.4,16 120.616,17 1.556,18 16.423,20 149.26,21 1.598,22 3,23 1.37,24 1.288,25 0.166,27 1.124,28 42.9,29 1.603,30 1,31 4.956,32 0.929,34 0.64,35 4.265,36 6,37 7.787,38 4.826,39 179.525,40 35,41 1.603,42 2,43 4,44 0.046,45 0.8,46 1.161,47 0.669,48 8,49 0.632,50 8.625,51 4.436,52 3.364,53 13,54 3.807,55 3.37,56 1,57 3.526,58 0.966,59 60.658,60 34.796,61 2.442,62 4.508,63 34.796,64 0.659,65 7.095,66 13.212,67 1.146,68 1.094,69 1,70 1,71 5.8}
{0 CHEMBL2003638,2 12.711,3 0.055,5 2,7 24.912,8 0.122,9 0.042,10 4.397,11 0.852,12 0.637,13 0.835,14 211.059,15 1.887,16 244.369,17 1.693,18 17.529,19 2,20 250.078,21 1.745,22 5,23 1.865,24 1.464,25 0.102,27 1.126,28 47.9,29 1.978,30 1,31 5.081,32 0.783,33 1,34 0.622,35 5.21,36 8,37 8.357,38 5.19,39 268.078,40 48,41 1.982,42 6,43 1,44 0.044,45 0.4,46 1.211,47 0.708,48 14,49 1.059,50 7.276,51 5.377,52 3.842,53 28,54 4.858,55 3.839,56 4,57 3.777,58 1.181,59 129.431,60 101.277,61 2.733,62 4.955,63 86.317,64 0.696,65 7.117,66 12.425,67 1.892,68 1.321,69 3,70 3,71 6.7}
{0 CHEMBL2003657,2 8.954,3 -0.047,5 3,7 5.439,8 -0.13,9 0.034,10 4.637,11 1.039,12 0.669,13 0.867,14 227.205,15 1.8,16 195.922,17 1.691,18 7.701,19 2,20 242.856,21 1.72,22 5,23 1.794,24 1.515,25 0.134,27 1.122,28 42.9,29 1.933,31 5.537,32 0.827,35 4.956,36 10,37 9.196,38 5.369,39 275.121,40 49,41 1.886,42 5,43 3,44 0.152,45 0.4,46 1.263,47 0.724,48 8,49 1.054,50 13.352,51 5.012,52 3.773,53 27,54 4.807,55 3.793,56 3,57 3.833,58 1.181,59 111.285,60 83.008,61 2.723,62 5.071,63 68.048,64 0.694,65 7.719,66 18.096,67 1.743,68 1.303,69 2,70 2,71 5.8}
{0 CHEMBL2003785,1 1,2 12.291,3 -0.066,7 17.497,8 -0.222,9 0.006,10 4.45,11 1.003,12 0.708,13 0.551,14 124.606,15 1.366,16 160.895,17 1.449,18 11.34,19 1,20 132.606,21 1.446,22 3,23 1.28,24 1.2,25 0.155,27 1.146,28 42.9,29 1.641,30 1,31 4.007,32 0.832,33 1,34 0.483,35 4.736,36 6,37 6.755,38 4.619,39 134.606,40 28,41 1.541,42 5,43 1,44 0.024,45 0.4,46 0.934,47 0.688,48 6,49 0.626,50 3.806,51 4.736,52 3.165,53 16,54 4.087,55 3.14,56 2,57 3.061,58 0.682,59 66.381,60 100.113,61 1.964,62 4.285,63 85.153,64 0.681,65 6.095,66 7.773,67 1,68 0.908,69 3,70 3,71 4.5}
{0 CHEMBL2003817,2 11.609,3 -0.053,7 22.484,8 -0.151,9 0.009,10 4.359,11 0.997,12 0.688,13 0.778,14 148.219,15 1.518,16 185.495,17 1.484,18 16.178,20 166.219,21 1.537,22 3,23 1.483,24 1.219,25 0.172,27 1.158,28 44.1,29 1.679,31 4.466,32 0.821,35 4.889,36 9,37 7.143,38 4.777,39 172.974,40 34,41 1.636,42 5,43 1,44 -0.003,45 0.4,46 0.976,47 0.687,48 4,49 0.7,50 4.396,51 4.948,52 3.459,53 18,54 4.248,55 3.44,56 2,57 3.556,58 0.817,60 131.258,61 2.453,62 4.559,63 86.378,64 0.708,65 6.608,66 7.185,67 1.499,68 0.996,69 3,70 3,71 5.8}
{0 CHEMBL2004025,3 -0.21,5 4,7 18.165,8 -0.267,9 -0.054,10 4.339,11 1.474,12 0.638,13 0.696,14 225.629,15 1.639,16 156.394,17 1.67,18 19.814,20 247.403,21 1.692,22 2,23 1.661,24 1.332,25 0.144,27 1.128,28 36.5,29 1.81,30 2,31 4.771,32 1.093,34 -0.052,35 4.758,36 10,37 7.369,38 4.718,39 296.423,40 52,41 1.648,42 1,43 6,44 0.198,45 1,46 1.343,47 0.647,48 18,49 0.896,50 14.94,51 4.758,52 3.634,53 15,54 4,55 3.666,56 2,57 3.744,58 1.316,60 16.405,61 2.686,62 4.97,63 16.405,64 0.629,65 6.64,66 26.246,67 2.023,68 1.291,71 5.7}
{0 CHEMBL2004118,1 1,2 9.15,3 -0.086,4 1,5 2,7 35.248,8 -0.272,9 -0.009,10 4.675,11 1.053,12 0.7,13 0.702,14 210.379,15 1.629,16 161.158,17 1.718,18 23.513,19 2,20 218.379,21 1.727,22 4,23 1.575,24 1.475,25 0.119,26 2.242,27 1.133,28 40,29 1.836,30 5,31 4.736,32 0.931,33 4,34 4.042,35 4.853,36 7,37 7.639,38 4.851,39 247.133,40 45,41 1.836,42 5,43 6,44 0.036,45 0.8,46 1.205,47 0.676,48 12,49 1.016,50 10.825,51 4.897,52 3.496,53 16,54 4.087,55 3.483,56 3,57 3.466,58 1.081,59 105.255,60 71.492,61 2.37,62 4.858,63 71.492,64 0.641,65 6.637,66 18.322,67 1.369,68 1.295,69 2,70 2,71 6.4}
{0 CHEMBL2004159,2 12.419,3 -0.092,5 1,7 15.608,8 -0.21,9 -0.02,10 4.365,11 1.073,12 0.656,13 0.593,14 174.612,15 1.679,16 196.236,17 1.585,18 12.058,20 192.122,21 1.593,22 3,23 1.644,24 1.308,25 0.137,27 1.123,28 45,29 1.827,30 1,31 4.143,32 0.91,33 1,34 0.405,35 4.803,36 6,37 6.972,38 4.721,39 212.877,40 40,41 1.78,42 4,43 2,44 0.047,45 0.6,46 1.098,47 0.688,48 11,49 0.799,50 7.593,51 4.803,52 3.613,53 19,54 4.322,55 3.597,56 3,57 3.626,58 1.038,60 68.367,61 2.596,62 4.692,63 68.367,64 0.667,65 6.207,66 13.06,67 1.129,68 1.062,69 3,70 3,71 5.6}
{0 CHEMBL2004290,2 8.855,3 0.071,5 1,7 31.066,8 0.034,9 0.058,10 4.98,11 0.896,12 0.645,13 1.008,14 328.665,15 1.845,16 278.806,17 1.918,18 25.408,19 1,20 346.665,21 1.918,22 5,23 1.826,24 1.72,25 0.085,27 1.123,28 42.4,29 1.951,30 1,31 5.375,32 0.851,33 1,34 0.382,35 5.253,36 10,37 8.714,38 5.308,39 398.93,40 66,41 1.946,42 6,43 5,44 0.043,45 0.5,46 1.47,47 0.688,48 13,49 1.065,50 15.624,51 5.374,52 3.811,53 28,54 4.858,55 3.806,56 4,57 3.84,58 1.417,59 172.477,60 104.144,61 2.811,62 5.386,63 104.144,64 0.655,65 7.416,66 24.746,67 2.347,68 1.534,69 2,70 2,71 5.6}
{0 CHEMBL2004311,3 0.058,7 40.338,8 0.028,9 0.058,10 4.098,11 0.931,12 0.621,13 0.73,14 213.1,15 1.783,16 204.693,17 1.63,18 26.744,20 246.384,21 1.659,22 4,23 1.758,24 1.367,25 0.114,27 1.117,28 46.2,29 1.882,30 1,31 4.868,32 0.874,33 1,34 0.544,35 4.738,36 5,37 7.574,38 4.968,39 296.423,40 52,41 1.897,42 3,43 4,44 0.029,45 0.6,46 1.476,47 0.683,48 11,49 1.038,50 16.209,51 5.118,52 3.765,53 20,54 4.392,55 3.764,56 3,57 3.778,58 1.273,59 127.275,60 54.032,61 2.754,62 5.106,63 54.032,64 0.649,65 6.623,66 18.712,67 2.13,68 1.404,71 5.8}
{0 CHEMBL2004355,2 4.02,3 -0.018,5 1,7 19.137,8 -0.008,9 0.075,10 4.72,11 1.211,12 0.625,13 0.677,14 202.965,15 1.532,16 232.505,17 1.723,18 19.519,20 210.574,21 1.691,22 2,23 1.547,24 1.46,25 0.173,27 1.133,28 37.2,29 1.76,30 2,31 3.989,32 0.883,33 2,34 0.401,35 4.897,36 10,37 6.332,38 4.749,39 233.329,40 43,41 1.782,42 5,43 3,44 0.168,45 0.6,46 1.176,47 0.676,48 9,49 0.907,50 7.625,51 4.897,52 3.529,53 16,54 4.087,55 3.6,56 2,57 3.619,58 1.153,60 130.044,61 2.591,62 4.788,63 130.044,64 0.658,65 6.131,66 16.085,67 1.747,68 1.245,69 1,70 1,71 5.8}
{0 CHEMBL2004419,2 8.959,3 0.021,5 1,7 4.86,8 -0.096,9 0.033,10 4.737,11 0.878,12 0.675,13 0.915,14 232.101,15 1.724,16 199.278,17 1.688,18 9.117,19 2,20 245.611,21 1.721,22 5,23 1.661,24 1.513,25 0.1,27 1.131,28 44.9,29 1.907,30 1,31 5.537,32 0.828,33 1,34 0.635,35 5.012,36 8,37 9.105,38 5.305,39 275.121,40 49,41 1.921,42 5,43 4,44 0.05,45 0.6,46 1.279,47 0.707,48 8,49 1.05,50 13.267,51 5.012,52 3.767,53 25,54 4.7,55 3.786,56 3,57 3.604,58 1.221,59 105.934,60 99.574,61 2.539,62 5.083,63 69.654,64 0.679,65 7.686,66 17.799,67 1.886,68 1.266,69 2,70 2,71 5.8}
{0 CHEMBL2004438,2 8.479,3 0.066,7 26.901,8 -0.023,9 0.075,10 4.246,11 0.868,12 0.653,13 0.941,14 199.582,15 1.834,16 249.498,17 1.593,18 19.34,20 232.801,21 1.631,22 4,23 1.802,24 1.403,25 0.131,27 1.141,28 46.8,29 1.944,31 4.804,32 0.771,35 4.953,36 9,37 8.024,38 5.094,39 261.066,40 47,41 1.93,42 5,43 1,44 -0.007,45 0.4,46 1.205,47 0.694,48 10,49 0.998,50 9.468,51 5.241,52 3.772,53 24,54 4.644,55 3.766,56 3,57 3.709,58 1.181,60 147.37,61 2.66,62 4.96,63 102.49,64 0.695,65 7.002,66 12.012,67 1.843,68 1.325,69 2,70 2,71 5.8}
{0 CHEMBL2004447,2 4.154,3 0.07,7 19.707,8 0.108,9 0.064,10 4.19,11 0.964,12 0.62,13 0.669,14 167.593,15 1.632,16 209.329,17 1.484,18 17.673,19 1,20 175.593,21 1.531,22 3,23 1.6,24 1.154,25 0.166,27 1.136,28 42.5,29 1.782,31 4.796,32 0.879,35 4.39,36 6,37 7.267,38 4.746,39 212.877,40 40,41 1.736,42 4,43 5,44 0.021,45 0.8,46 1.239,47 0.669,48 4,49 0.852,50 9.886,51 4.44,52 3.527,53 13,54 3.807,55 3.522,56 2,57 3.63,58 1.127,59 84.021,60 112.243,61 2.534,62 5.083,63 97.283,64 0.647,65 6.515,66 14.207,67 1.495,68 1.239,69 1,70 1,71 5.8}
{0 CHEMBL2004515,2 8.525,3 -0.108,5 1,7 7.84,8 -0.209,9 -0.005,10 4.236,11 1.007,12 0.722,13 0.416,14 114.382,15 1.462,16 133.295,17 1.484,18 6.601,19 1,20 124.382,21 1.518,22 4,23 1.394,24 1.159,25 0.158,27 1.117,28 48.1,29 1.669,30 1,31 4.635,32 0.788,34 0.28,35 4.607,36 5,37 7.778,38 4.765,39 128.382,40 27,41 1.637,42 3,43 1,44 0.06,45 0.4,46 0.906,47 0.711,48 4,49 0.602,50 4.215,51 4.681,52 3.163,53 16,54 4.087,55 3.129,56 2,57 3.336,58 0.451,59 112.869,60 50.357,61 2.27,62 4.176,63 50.357,64 0.706,65 6.787,66 7.851,67 1,68 0.951,69 2,70 2,71 6}
{0 CHEMBL2004637,2 4.793,3 0.001,7 38.531,8 -0.043,9 0.021,10 4.388,11 1.078,12 0.628,13 1.068,14 311.573,15 1.784,16 273.726,17 1.888,18 29.74,19 1,20 371.838,21 1.887,22 4,23 1.737,24 1.647,25 0.092,26 1.708,27 1.13,28 40.8,29 1.946,30 3,31 5.106,32 0.988,33 3,34 1.446,35 5.237,36 8,37 7.797,38 5.191,39 436.632,40 71,41 1.992,42 6,43 8,44 0.04,45 0.8,46 1.577,47 0.656,48 18,49 1.167,50 19.737,51 5.501,52 3.744,53 24,54 4.644,55 3.741,56 3,57 4.008,58 1.417,60 90.483,61 2.966,62 5.526,63 90.483,64 0.619,65 6.994,66 27.857,67 2.134,68 1.59,69 1,70 1,71 5.6}
{0 CHEMBL2004716,2 4.384,3 0.047,7 37.713,8 -0.043,9 0.041,10 4.97,11 0.96,12 0.628,13 1.096,14 362.838,15 1.85,16 286.08,17 1.935,18 29.302,20 398.838,21 1.929,22 4,23 1.83,24 1.717,25 0.085,26 2.257,27 1.125,28 41.1,29 1.969,30 4,31 5.136,32 0.931,33 4,34 3.337,35 5.464,36 9,37 8.36,38 5.21,39 451.857,40 73,41 1.965,42 6,43 7,44 0.046,45 0.7,46 1.584,47 0.675,48 18,49 1.131,50 18.506,51 5.556,52 3.782,53 25,54 4.7,55 3.788,56 3,57 3.663,58 1.556,59 187.414,60 106.839,61 2.633,62 5.417,63 106.839,64 0.632,65 7.18,66 29.43,67 2.25,68 1.584,69 1,70 1,71 6.8}
{0 CHEMBL2004871,2 8.526,3 -0.032,7 4.867,8 -0.15,9 0.003,10 4.419,11 1.032,12 0.648,13 0.623,14 167.911,15 1.648,16 144.687,17 1.525,18 7.449,19 1,20 177.421,21 1.543,22 3,23 1.583,24 1.252,25 0.136,27 1.13,28 44.7,29 1.863,30 3,31 4.533,32 0.918,33 2,34 1.444,35 4.669,36 5,37 7.394,38 4.713,39 199.421,40 38,41 1.872,42 3,43 3,44 0.029,45 0.6,46 1.181,47 0.677,48 10,49 0.969,50 10.492,51 4.669,52 3.557,53 17,54 4.17,55 3.543,56 3,57 3.24,58 1.099,60 50.43,61 2.174,62 4.677,63 35.47,64 0.654,65 6.543,66 12.996,67 1,68 1.062,69 2,70 2,71 5.8}
{0 CHEMBL2004872,2 8.111,3 -0.053,5 2,7 18.055,8 -0.133,9 -0.003,10 4.413,11 1.053,12 0.63,13 0.615,14 194.176,15 1.665,16 196.504,17 1.691,18 13.021,20 218.705,21 1.679,22 3,23 1.62,24 1.46,25 0.133,27 1.119,28 45.5,29 1.825,31 4.22,32 0.93,35 4.971,36 5,37 7,38 4.756,39 240.215,40 44,41 1.78,42 3,43 3,44 0.046,45 0.6,46 1.181,47 0.682,48 13,49 0.834,50 10.604,51 5.061,52 3.591,53 19,54 4.322,55 3.572,56 3,57 3.644,58 1.115,60 51.582,61 2.628,62 4.835,63 51.582,64 0.652,65 6.26,66 15.393,67 1.151,68 1.062,69 2,70 2,71 5.8}
{0 CHEMBL2004892,2 3.961,3 0.025,7 5.975,8 0.147,9 0.106,10 4.068,11 1.103,12 0.619,13 0.583,14 142.364,15 1.638,16 172.325,17 1.642,18 8.035,19 1,20 160.015,21 1.693,22 3,23 1.658,24 1.351,25 0.187,27 1.126,28 40,29 1.807,31 4.522,32 0.81,35 4.572,36 7,37 7.858,38 4.753,39 179.525,40 35,41 1.604,42 4,43 1,44 0.211,45 0.6,46 1.064,47 0.697,48 10,49 0.907,50 7.113,51 4.651,52 3.661,53 18,54 4.248,55 3.725,56 2,57 3.737,58 1.018,59 85.762,60 82.628,61 2.708,62 4.57,63 82.628,64 0.667,65 6.799,66 14.626,67 1,68 1.062,69 1,70 1,71 7.1}
{0 CHEMBL2004934,2 3.925,3 -0.023,5 1,7 18.717,8 -0.057,9 0.012,10 4.469,11 1.016,12 0.615,13 0.666,14 201.094,15 1.716,16 189.697,17 1.691,18 14.648,20 227.624,21 1.68,22 3,23 1.682,24 1.46,25 0.128,27 1.122,28 46.7,29 1.847,31 4.317,32 0.913,35 5.058,36 5,37 7.076,38 4.806,39 247.133,40 45,41 1.831,42 2,43 3,44 0.034,45 0.6,46 1.181,47 0.682,48 13,49 0.869,50 10.481,51 5.103,52 3.646,53 19,54 4.322,55 3.638,56 3,57 3.652,58 1.124,60 49.756,61 2.649,62 4.876,63 34.796,64 0.658,65 6.338,66 15.283,67 1.619,68 1.068,69 1,70 1,71 5.8}
{0 CHEMBL2005186,1 1,2 13.68,5 1,7 31.925,8 -0.027,9 0.03,10 4.784,11 0.982,12 0.654,13 0.891,14 277.444,15 1.859,16 268.428,17 1.899,18 20.292,19 2,20 315.498,21 1.886,22 5,23 1.838,24 1.67,25 0.095,27 1.123,28 44.8,29 1.958,30 1,31 5.278,32 0.87,33 1,34 -0.052,35 5.44,36 8,37 8.689,38 5.253,39 339.763,40 58,41 1.967,42 6,43 4,44 0.049,45 0.6,46 1.448,47 0.686,48 14,49 1.103,50 12.588,51 5.522,52 3.804,53 28,54 4.858,55 3.806,56 3,57 3.75,58 1.417,59 128.372,60 102.919,61 2.71,62 5.155,63 102.919,64 0.66,65 7.375,66 19.839,67 1.972,68 1.509,69 3,70 3,71 5.8}
{0 CHEMBL2005375,1 1,2 9.42,3 -0.086,4 1,5 1,7 56.934,8 -0.251,9 -0.009,10 4.535,11 1.273,12 0.676,13 1.135,14 340.094,15 1.843,16 194.346,17 1.793,18 35.279,19 1,20 381.677,21 1.774,22 5,23 1.796,24 1.58,25 0.096,26 3.909,27 1.137,28 37.3,29 1.978,30 10,31 5.347,32 1.105,34 10.856,35 5.089,36 9,37 7.637,38 4.966,39 467.161,40 75,41 1.971,42 6,43 16,44 0.07,45 0.9,46 1.578,47 0.634,48 12,49 1.211,50 24.434,51 5.452,52 3.721,53 14,54 3.907,55 3.733,56 4,57 3.673,58 1.563,60 75.841,61 2.599,62 5.617,63 75.841,64 0.596,65 6.631,66 34.048,67 2.176,68 1.602,69 2,70 2,71 5.8}
{0 CHEMBL2005449,1 2,2 12.578,3 -0.002,4 1,7 42.409,8 -0.099,9 0.019,10 4.313,11 0.9,12 0.67,13 0.608,14 159.589,15 1.558,16 195.752,17 1.653,18 23.226,19 2,20 175.24,21 1.693,22 3,23 1.511,24 1.364,25 0.129,27 1.135,28 40.5,29 1.731,30 1,31 4.159,32 0.834,33 1,34 0.663,35 4.736,36 7,37 6.813,38 4.589,39 192.75,40 37,41 1.752,42 6,43 2,44 0.013,45 0.6,46 1.07,47 0.695,48 9,49 0.806,50 6.226,51 4.811,52 3.644,53 17,54 4.17,55 3.625,56 3,57 3.488,58 0.969,60 102.919,61 2.422,62 4.601,63 102.919,64 0.665,65 5.806,66 12.127,67 1,68 1.062,69 3,70 3,71 7.9}
{0 CHEMBL2005475,2 4.362,3 0.1,7 5.692,8 0.138,9 0.071,10 4.064,11 0.866,12 0.615,13 0.67,14 182.895,15 1.601,16 137.868,17 1.607,18 5.939,19 1,20 206.869,21 1.613,22 4,23 1.581,24 1.469,25 0.132,27 1.119,28 42.2,29 1.748,30 6,31 4.654,32 0.886,33 1,34 7.223,35 4.597,36 5,37 7.681,38 4.812,39 247.133,40 45,41 1.713,42 3,43 7,44 0.07,45 0.8,46 1.306,47 0.688,48 8,49 0.979,50 9.495,51 4.781,52 3.752,53 16,54 4.087,55 3.774,56 3,57 3.502,58 1.181,60 51.337,61 2.482,62 4.997,63 51.337,64 0.638,65 6.812,66 19.484,67 1.266,68 1.376,69 1,70 1,71 5.8}
{0 CHEMBL2005478,2 8.785,3 -0.071,7 7.827,8 -0.257,9 -0.016,10 4.629,11 0.814,12 0.693,13 0.536,14 162.015,15 1.665,16 149.924,17 1.613,18 9.12,19 2,20 170.015,21 1.619,22 4,23 1.615,24 1.362,25 0.132,27 1.118,28 45.7,29 1.833,31 5.03,32 0.787,35 4.858,36 6,37 8.578,38 5.042,39 179.525,40 35,41 1.79,42 4,43 2,44 0.003,45 0.6,46 1.115,47 0.732,48 10,49 0.838,50 7.38,51 4.858,52 3.378,53 20,54 4.392,55 3.379,56 2,57 3.379,58 1.015,59 150.283,60 52.256,61 2.292,62 4.56,63 98.21,64 0.699,65 7.332,66 11.169,67 1.372,68 1.125,69 2,70 2,71 5.6}
{0 CHEMBL2005482,1 1,2 14.341,3 -0.025,4 1,5 1,7 47.421,8 -0.179,9 0.009,10 5.002,11 0.9,12 0.682,13 1.09,14 360.129,15 1.899,16 288.671,17 1.921,18 30.291,19 2,20 406.235,21 1.932,22 7,23 1.873,24 1.771,25 0.073,26 2.308,27 1.116,28 45.8,29 1.992,30 5,31 5.613,32 0.829,33 4,34 3.419,35 5.642,36 11,37 8.861,38 5.465,39 444.235,40 72,41 1.979,42 7,43 5,44 0.046,45 0.5,46 1.576,47 0.72,48 21,49 1.124,50 18.259,51 5.753,52 3.851,53 34,54 5.129,55 3.85,56 6,57 3.833,58 1.513,60 90.789,61 2.727,62 5.366,63 90.789,64 0.686,65 7.546,66 24.948,67 2.473,68 1.62,69 3,70 3,71 5.6}
{0 CHEMBL2005528,3 0.001,7 10.17,8 -0.047,9 0.04,10 4.574,11 1.043,12 0.658,13 0.479,14 150.955,15 1.488,16 107.024,17 1.472,18 12.088,19 1,20 155.71,21 1.482,22 3,23 1.429,24 1.238,25 0.175,27 1.125,28 42.4,29 1.76,30 3,31 4.727,32 0.899,33 2,34 1.75,35 4.718,36 5,37 7.194,38 4.66,39 166.465,40 33,41 1.799,42 2,43 4,44 0.033,45 0.8,46 1.021,47 0.665,48 7,49 0.936,50 6.374,51 4.718,52 3.301,53 12,54 3.7,55 3.294,56 1,57 3.4,58 0.969,59 106.618,60 34.796,61 2.379,62 4.508,63 34.796,64 0.647,65 6.744,66 12.462,67 1.48,68 0.995,71 6.4}
{0 CHEMBL2005548,1 1,2 4.1,3 -0.013,7 38.992,8 -0.035,9 0.014,10 4.656,11 0.901,12 0.652,13 0.762,14 246.786,15 1.776,16 189.151,17 1.87,18 26.945,19 1,20 266.296,21 1.876,22 4,23 1.772,24 1.696,25 0.11,27 1.122,28 43.4,29 1.916,30 1,31 5.075,32 0.832,33 1,34 0.247,35 5.024,36 10,37 7.923,38 5.123,39 303.58,40 53,41 1.945,42 4,43 5,44 0.01,45 0.8,46 1.417,47 0.706,48 8,49 1.117,50 8.552,51 5.062,52 3.776,53 20,54 4.392,55 3.751,56 3,57 4.005,58 1.417,59 145.78,60 54.461,61 2.9,62 5.152,63 54.461,64 0.686,65 6.828,66 16.284,67 2.568,68 1.28,69 1,70 1,71 5.8}
{0 CHEMBL2005631,2 4.172,3 0.11,7 25.287,8 0.035,9 0.087,10 4.947,11 0.806,12 0.641,13 0.862,14 257.262,15 1.832,16 245.971,17 1.691,18 21.624,20 274.913,21 1.701,22 4,23 1.815,24 1.452,25 0.103,27 1.125,28 44.2,29 1.936,31 5.037,32 0.777,35 5.287,36 9,37 8.219,38 5.171,39 296.423,40 52,41 1.877,42 5,43 2,44 0.021,45 0.6,46 1.324,47 0.704,48 10,49 1.022,50 10.93,51 5.325,52 3.777,53 24,54 4.644,55 3.784,56 3,57 3.786,58 1.211,59 142.349,60 118.675,61 2.759,62 5.032,63 103.715,64 0.679,65 7.119,66 16.962,67 2.142,68 1.364,69 1,70 1,71 7.4}
{0 CHEMBL2005699,2 4.646,3 0.012,7 29.04,8 0.012,9 0.025,10 4.377,11 1.011,12 0.621,13 0.828,14 262.6,15 1.784,16 213.398,17 1.732,18 24.259,19 1,20 297.619,21 1.777,22 4,23 1.737,24 1.554,25 0.101,27 1.118,28 45,29 1.946,30 1,31 5.069,32 0.904,33 1,34 -0.452,35 4.96,36 8,37 7.799,38 5.185,39 354.413,40 60,41 1.989,42 3,43 5,44 0.029,45 0.6,46 1.417,47 0.678,48 14,49 1.086,50 12.456,51 5.185,52 3.719,53 25,54 4.7,55 3.719,56 3,57 3.921,58 1.417,60 36.45,61 2.835,62 5.309,63 36.45,64 0.657,65 7.012,66 20.289,67 2.175,68 1.417,69 1,70 1,71 5.6}
{0 CHEMBL2005792,1 1,2 17.914,3 -0.098,4 1,7 19.518,8 -0.245,9 -0.019,10 4.942,11 1.156,12 0.685,13 0.903,14 266.89,15 1.784,16 220.608,17 1.848,18 14.925,19 1,20 276.499,21 1.859,22 4,23 1.731,24 1.681,25 0.099,27 1.139,28 40.7,29 1.974,30 2,31 5.333,32 0.972,33 2,34 0.539,35 5.12,36 9,37 8.672,38 5.12,39 310.764,40 54,41 1.913,42 6,43 6,44 0.042,45 0.8,46 1.414,47 0.662,48 12,49 0.986,50 12.108,51 5.12,52 3.683,53 22,54 4.524,55 3.675,56 3,57 3.698,58 1.333,59 124.384,60 101.399,61 2.605,62 5.285,63 86.439,64 0.642,65 7.403,66 20.222,67 1.559,68 1.343,69 4,70 4,71 5.7}
{0 CHEMBL2005828,2 8.077,3 0.031,7 22.301,8 -0.04,9 0.057,10 4.351,11 0.918,12 0.667,13 0.681,14 191.46,15 1.742,16 236.137,17 1.607,18 17.311,20 207.46,21 1.645,22 4,23 1.707,24 1.375,25 0.119,27 1.123,28 45.5,29 1.898,31 4.745,32 0.801,35 4.715,36 7,37 7.903,38 5.02,39 240.215,40 44,41 1.8,42 5,43 1,44 0.021,45 0.6,46 1.181,47 0.693,48 8,49 0.855,50 6.531,51 4.897,52 3.736,53 23,54 4.585,55 3.722,56 3,57 3.593,58 1.181,59 118.978,60 102.49,61 2.566,62 4.849,63 102.49,64 0.675,65 6.881,66 13.276,67 1.539,68 1.224,69 2,70 2,71 5.8}
{0 CHEMBL2005886,2 4.748,3 0.002,7 47.172,8 -0.125,9 0.035,10 5.111,11 0.98,12 0.676,13 0.901,14 306.639,15 1.818,16 202.317,17 1.872,18 32.179,19 1,20 327.659,21 1.872,22 5,23 1.789,24 1.647,25 0.096,26 2.288,27 1.127,28 41.7,29 1.946,30 5,31 5.268,32 0.885,33 5,34 3.305,35 5.461,36 9,37 8.186,38 5.126,39 354.413,40 60,41 1.898,42 5,43 7,44 0.02,45 0.8,46 1.513,47 0.677,48 18,49 1.098,50 16.754,51 5.461,52 3.729,53 19,54 4.322,55 3.715,56 4,57 3.799,58 1.363,59 131.029,60 72.717,61 2.733,62 5.279,63 72.717,64 0.648,65 7.102,66 22.949,67 2.234,68 1.376,69 1,70 1,71 8.4}
{0 CHEMBL2005899,2 3.91,3 -0.07,5 1,7 23.584,8 -0.233,9 -0.024,10 4.084,11 1.227,12 0.63,13 0.63,14 179.686,15 1.688,16 135.977,17 1.648,18 16.136,20 189.421,21 1.647,22 2,23 1.66,24 1.397,25 0.163,26 1.284,27 1.133,28 38.6,29 1.826,31 4.111,32 1.074,35 4.305,36 6,37 6.075,38 4.53,39 240.215,40 44,41 1.782,42 3,43 7,44 0.023,45 1,46 1.417,47 0.642,48 3,49 0.849,50 10.233,51 4.305,52 3.607,53 10,54 3.459,55 3.607,56 2,57 3.762,58 1.181,60 36.695,61 2.704,62 5.085,63 36.695,64 0.612,65 5.796,66 16.971,67 1.374,68 1.239,69 1,70 1,71 5.8}
{0 CHEMBL2005936,2 13.393,3 0.043,5 2,7 24.041,8 0.145,9 0.035,10 4.41,11 0.926,12 0.621,13 0.884,14 251.349,15 1.873,16 252.328,17 1.893,18 16.433,19 2,20 289.455,21 1.885,22 5,23 1.846,24 1.679,25 0.097,27 1.122,28 45.6,29 1.965,30 3,31 5.366,32 0.867,33 1,34 1.866,35 5.078,36 7,37 8.707,38 5.228,39 332.475,40 57,41 1.984,42 6,43 4,44 0.061,45 0.6,46 1.382,47 0.69,48 15,49 1.146,50 13.778,51 5.364,52 3.811,53 28,54 4.858,55 3.819,56 4,57 3.549,58 1.302,59 135.952,60 86.317,61 2.53,62 5.147,63 86.317,64 0.659,65 7.351,66 19.393,67 1.612,68 1.448,69 3,70 3,71 5.8}
{0 CHEMBL2006188,1 1,2 4.071,3 0.014,5 1,7 34,8 -0.017,9 0.034,10 4.788,11 1.065,12 0.617,13 0.832,14 277.724,15 1.736,16 240.987,17 1.819,18 22.508,20 312.253,21 1.812,22 3,23 1.697,24 1.613,25 0.113,27 1.127,28 41.4,29 1.904,30 3,31 4.605,32 0.978,33 2,34 2.105,35 5.384,36 6,37 7.26,38 4.854,39 339.763,40 58,41 1.911,42 4,43 6,44 0.026,45 0.8,46 1.435,47 0.656,48 17,49 1.138,50 16.365,51 5.418,52 3.659,53 19,54 4.322,55 3.651,56 3,57 3.703,58 1.26,60 85.704,61 2.694,62 5.167,63 85.704,64 0.618,65 6.456,66 22.435,67 1.62,68 1.442,69 1,70 1,71 5.8}
{0 CHEMBL2006237,1 1,2 9.217,3 -0.06,5 1,7 31.619,8 -0.256,9 0.005,10 4.427,11 1.169,12 0.69,13 0.899,14 247.928,15 1.795,16 207.527,17 1.793,18 21.255,19 1,20 282.457,21 1.775,22 4,23 1.722,24 1.561,25 0.111,26 4.88,27 1.14,28 37.5,29 1.98,30 7,31 4.796,32 1.018,33 6,34 7.613,35 5.044,36 8,37 8.027,38 4.904,39 325.212,40 56,41 1.948,42 7,43 8,44 0.052,45 0.8,46 1.483,47 0.645,48 21,49 1.125,50 12.598,51 5.222,52 3.658,53 17,54 4.17,55 3.65,56 3,57 3.54,58 1.341,59 122.605,60 107.513,61 2.411,62 5.273,63 107.513,64 0.61,65 6.933,66 23.677,67 1.634,68 1.437,69 2,70 2,71 5.8}
{0 CHEMBL2006263,2 8.863,3 -0.037,5 2,7 8.394,8 -0.056,9 0.063,10 3.903,11 1.163,12 0.63,13 0.624,14 152.215,15 1.596,16 183.723,17 1.61,18 12.483,20 169.866,21 1.569,22 3,23 1.563,24 1.409,25 0.187,27 1.124,28 41,29 1.771,31 4.477,32 0.87,35 4.356,36 7,37 7.427,38 4.86,39 206.131,40 39,41 1.776,42 4,43 2,44 0.212,45 0.6,46 1.161,47 0.696,48 7,49 0.883,50 7.429,51 4.529,52 3.532,53 19,54 4.322,55 3.571,56 2,57 3.494,58 1.159,60 82.873,61 2.453,62 4.746,63 82.873,64 0.663,65 6.662,66 14.486,67 1.223,68 1.105,69 2,70 2,71 5.8}
{0 CHEMBL2006276,1 2,2 4.005,3 0.002,7 48.592,8 -0.078,9 0.041,10 4.248,11 0.937,12 0.67,13 0.621,14 174.15,15 1.783,16 202.523,17 1.546,18 26.994,19 2,20 202.905,21 1.547,22 4,23 1.747,24 1.241,25 0.13,27 1.12,28 46.3,29 1.907,31 4.984,32 0.814,35 4.949,36 6,37 7.822,38 4.85,39 219.66,40 41,41 1.892,42 4,43 1,44 0.034,45 0.6,46 1.181,47 0.695,48 11,49 0.927,50 10.176,51 5.046,52 3.696,53 19,54 4.322,55 3.693,56 2,57 3.571,58 1.116,60 70.818,61 2.515,62 4.838,63 70.818,64 0.675,65 6.6,66 12.766,67 1.448,68 1.122,69 1,70 1,71 5.8}
{0 CHEMBL2006299,2 4.009,3 -0.024,5 1,7 15.608,8 -0.069,9 0.012,10 4.06,11 0.995,12 0.615,13 0.553,14 170.503,15 1.717,16 183.333,17 1.6,18 12.058,20 199.722,21 1.606,22 3,23 1.682,24 1.338,25 0.137,27 1.113,28 47.6,29 1.848,30 1,31 4.143,32 0.897,33 1,34 0.46,35 4.755,36 4,37 6.972,38 4.721,39 226.477,40 42,41 1.837,42 2,43 2,44 0.042,45 0.6,46 1.181,47 0.691,48 15,49 0.866,50 9.469,51 4.851,52 3.644,53 19,54 4.322,55 3.638,56 3,57 3.628,58 1.152,60 34.796,61 2.599,62 4.749,63 34.796,64 0.659,65 6.207,66 14.242,67 1.129,68 1.062,69 1,70 1,71 5.6}
{0 CHEMBL2006439,1 1,2 13.319,3 -0.016,4 1,5 1,7 19.407,8 -0.166,9 0.024,10 4.267,11 0.954,12 0.685,13 0.652,14 174.931,15 1.72,16 159.551,17 1.608,18 11.088,19 1,20 192.15,21 1.622,22 4,23 1.675,24 1.386,25 0.123,27 1.13,28 41.5,29 1.88,30 5,31 4.745,32 0.883,34 6.186,35 4.687,36 6,37 7.812,38 4.795,39 219.66,40 41,41 1.791,42 5,43 6,44 0.027,45 0.8,46 1.161,47 0.688,48 4,49 0.847,50 7.646,51 4.821,52 3.617,53 16,54 4.087,55 3.605,56 3,57 3.448,58 1.005,59 84.619,60 85.153,61 2.38,62 4.866,63 85.153,64 0.649,65 6.784,66 15.938,67 1.408,68 1.146,69 3,70 3,71 5.6}
{0 CHEMBL2006450,2 8.46,3 -0.01,5 1,7 12.39,8 -0.129,9 0.018,10 4.753,11 0.939,12 0.652,13 0.6,14 190.122,15 1.707,16 161.56,17 1.639,18 9.653,19 1,20 202.122,21 1.65,22 3,23 1.649,24 1.409,25 0.144,27 1.126,28 42.5,29 1.893,30 3,31 4.615,32 0.876,34 2.314,35 5.053,36 6,37 7.798,38 4.778,39 212.877,40 40,41 1.859,42 4,43 4,44 0.014,45 0.8,46 1.141,47 0.692,48 4,49 0.908,50 7.646,51 5.053,52 3.555,53 17,54 4.17,55 3.566,56 2,57 3.377,58 1.025,59 88.683,60 68.367,61 2.355,62 4.68,63 68.367,64 0.658,65 6.78,66 14.232,67 1.465,68 1.124,69 2,70 2,71 5.6}
{0 CHEMBL2006493,3 0.01,7 20.068,8 0.012,9 0.028,10 4.185,11 0.979,12 0.638,13 0.6,14 121.372,15 1.281,16 74.102,17 1.291,18 16.524,20 130.127,21 1.292,22 3,23 1.258,24 1.033,25 0.203,27 1.143,28 48.3,29 1.462,30 3,31 4.754,32 0.845,34 1.2,35 4.487,36 6,37 6.707,38 4.546,39 140.881,40 29,41 1.388,43 4,44 0.016,45 0.6,46 0.722,47 0.681,48 3,49 0.595,50 3.554,51 4.487,52 3.225,53 9,54 3.322,55 3.197,56 1,57 3.613,58 0.548,60 44.88,61 2.551,62 4.5,64 0.705,65 6.281,66 7.799,67 1.403,68 0.857,71 5.8}
{0 CHEMBL2006564,1 2,2 13.279,3 -0.092,4 1,5 2,7 49.055,8 -0.321,9 -0.007,10 4.757,11 1.158,12 0.712,13 0.783,14 223.556,15 1.557,16 195.941,17 1.612,18 28.021,19 2,20 227.556,21 1.647,22 4,23 1.495,24 1.339,25 0.128,26 1.716,27 1.141,28 38.3,29 1.783,30 3,31 4.771,32 0.975,33 1,34 2.957,35 4.842,36 8,37 7.645,38 4.835,39 261.066,40 47,41 1.797,42 7,43 6,44 0.055,45 0.8,46 1.442,47 0.656,48 7,49 0.928,50 11.981,51 4.927,52 3.706,53 17,54 4.17,55 3.708,56 3,57 3.617,58 1.181,59 114.063,60 106.288,61 2.564,62 4.838,63 106.288,64 0.629,65 6.708,66 18.158,67 1.491,68 1.376,69 3,70 3,71 7.9}
{0 CHEMBL2006567,2 4.259,3 0.138,7 15.684,8 0.071,9 0.095,10 4.423,11 0.738,12 0.625,13 0.445,14 123.851,15 1.398,16 177.348,17 1.394,18 11.616,20 127.851,21 1.298,22 2,23 1.36,24 1.294,25 0.215,27 1.12,28 42.9,29 1.546,31 3.85,32 0.724,35 4.566,36 6,37 6.366,38 4.473,39 134.606,40 28,41 1.568,42 4,43 1,44 0.017,45 0.4,46 0.839,47 0.729,48 2,49 0.641,50 4.851,51 4.566,52 3.334,53 13,54 3.807,55 3.309,56 2,57 3.334,58 0.572,60 98.753,61 2.291,62 4.232,63 98.753,64 0.699,65 6.167,66 9.369,67 0.721,68 0.885,69 1,70 1,71 5.8}
{0 CHEMBL2006581,2 4.017,3 -0.017,5 2,7 15.513,8 -0.008,9 0.074,10 4.717,11 1.145,12 0.63,13 0.641,14 198.113,15 1.469,16 185.159,17 1.693,18 16.638,20 209.722,21 1.653,22 2,23 1.488,24 1.452,25 0.18,27 1.133,28 35.7,29 1.738,30 2,31 3.951,32 0.866,33 2,34 0.249,35 4.993,36 10,37 6.255,38 4.682,39 226.477,40 42,41 1.778,42 4,43 3,44 0.114,45 0.6,46 1.09,47 0.683,48 9,49 0.898,50 8.408,51 5.041,52 3.471,53 15,54 4,55 3.556,56 2,57 3.554,58 1.053,60 98.985,61 2.442,62 4.726,63 98.985,64 0.658,65 5.852,66 15.982,67 1.599,68 1.132,69 1,70 1,71 5.8}
{0 CHEMBL2006674,1 1,2 9.47,3 -0.05,5 2,7 40.47,8 -0.178,9 -0.012,10 5.07,11 1.203,12 0.672,13 0.89,14 288.965,15 1.775,16 152.942,17 1.807,18 27.103,19 1,20 311.72,21 1.788,22 4,23 1.723,24 1.603,25 0.105,26 2.325,27 1.14,28 36.8,29 1.952,30 8,31 5.094,32 1.067,33 3,34 6.641,35 5.469,36 8,37 7.707,38 4.943,39 332.475,40 57,41 1.923,42 6,43 10,44 0.069,45 0.8,46 1.433,47 0.637,48 10,49 1.115,50 15.896,51 5.469,52 3.709,53 17,54 4.17,55 3.712,56 3,57 3.629,58 1.385,59 113.05,60 58.92,61 2.58,62 5.294,63 58.92,64 0.603,65 6.789,66 24.56,67 1.683,68 1.404,69 2,70 2,71 5.6}
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{0 CHEMBL2006778,2 4.26,3 0.122,7 7.825,8 0.058,9 0.095,10 5.044,11 0.768,12 0.639,13 0.732,14 221.95,15 1.605,16 202.281,17 1.764,18 11.573,19 1,20 228.705,21 1.777,22 4,23 1.547,24 1.55,25 0.115,27 1.122,28 45.5,29 1.803,31 5.231,32 0.755,35 5.198,36 7,37 8.822,38 5.18,39 240.215,40 44,41 1.804,42 4,43 2,44 0.028,45 0.6,46 1.256,47 0.713,48 8,49 0.884,50 8.854,51 5.198,52 3.533,53 22,54 4.524,55 3.529,56 2,57 3.575,58 1.173,59 197.854,60 99.439,61 2.551,62 4.847,63 84.479,64 0.683,65 7.464,66 14.906,67 1.768,68 1.22,69 1,70 1,71 6.6}
{0 CHEMBL2006785,3 0.073,7 14.03,8 0.072,9 0.054,10 4.248,11 0.637,12 0.609,13 0.377,14 140.2,15 1.547,16 156.865,17 1.476,18 13.727,20 153.71,21 1.454,22 3,23 1.541,24 1.283,25 0.163,27 1.094,28 51.5,29 1.657,31 4.554,32 0.65,35 4.658,36 6,37 7.412,38 4.921,39 166.465,40 33,41 1.588,42 2,43 1,44 0.002,45 0.4,46 0.958,47 0.807,48 6,49 0.697,50 3.722,51 4.658,52 3.421,53 18,54 4.248,55 3.448,56 2,57 3.461,58 0.817,59 91.6,60 49.07,61 2.307,62 4.486,63 49.07,64 0.765,65 6.769,66 5.05,67 1.883,68 0.994,71 5.8}
{0 CHEMBL2006933,2 8.514,3 0.091,7 1.827,8 -0.022,9 0.059,10 4.152,11 0.746,12 0.632,13 0.362,14 112.117,15 1.306,16 107.746,17 1.396,18 3.337,20 121.627,21 1.359,22 3,23 1.262,24 1.158,25 0.23,27 1.103,28 48.1,29 1.505,31 4.477,32 0.739,35 4.505,36 4,37 8.027,38 4.799,39 128.382,40 27,41 1.523,42 2,43 1,44 0.04,45 0.4,46 0.8,47 0.747,48 6,49 0.624,50 5.051,51 4.579,52 3.201,53 16,54 4.087,55 3.248,56 1,57 3.063,58 0.62,60 33.571,61 1.979,62 4.26,63 33.571,64 0.706,65 7.116,66 10.602,67 1.139,68 0.736,69 2,70 2,71 5.9}
{0 CHEMBL2007002,2 4.172,3 0.079,7 15.484,8 0.127,9 0.066,10 4.242,11 0.868,12 0.63,13 0.621,14 186.651,15 1.775,16 193.008,17 1.655,18 12.596,19 1,20 222.705,21 1.709,22 4,23 1.759,24 1.432,25 0.12,27 1.114,28 47.7,29 1.88,31 4.927,32 0.79,35 5.061,36 6,37 8.331,38 5.054,39 240.215,40 44,41 1.867,42 3,43 1,44 0.019,45 0.6,46 1.181,47 0.698,48 14,49 0.979,50 8.573,51 5.17,52 3.785,53 23,54 4.585,55 3.776,56 3,57 3.597,58 1.14,59 107.846,60 51.337,61 2.541,62 4.817,63 51.337,64 0.679,65 7.039,66 13.001,67 1.53,68 1.132,69 1,70 1,71 5.8}
{0 CHEMBL2007044,2 8.676,3 -0.008,5 1,7 21.796,8 -0.029,9 0.014,10 4.735,11 0.964,12 0.625,13 0.729,14 232.001,15 1.688,16 242.087,17 1.642,18 20.724,19 1,20 243.611,21 1.651,22 4,23 1.616,24 1.515,25 0.131,26 2.297,27 1.119,28 46.9,29 1.915,30 4,31 5.198,32 0.888,33 3,34 3.651,35 4.972,36 5,37 8.541,38 5.03,39 275.121,40 49,41 1.928,42 5,43 6,44 0.059,45 0.8,46 1.356,47 0.696,48 11,49 1.052,50 10.516,51 4.972,52 3.611,53 19,54 4.322,55 3.602,56 2,57 3.487,58 1.211,59 96.32,60 84.295,61 2.453,62 4.98,63 84.295,64 0.66,65 7.204,66 17.822,67 1.955,68 1.446,69 2,70 2,71 5.8}
{0 CHEMBL2007064,3 0.091,7 15.203,8 0.055,9 0.072,10 4.54,11 0.945,12 0.62,13 0.571,14 186.15,15 1.655,16 131.524,17 1.646,18 14.447,19 1,20 204.15,21 1.65,22 3,23 1.612,24 1.411,25 0.146,27 1.121,28 43.9,29 1.825,30 2,31 4.615,32 0.878,34 0.578,35 4.979,36 5,37 7.368,38 4.72,39 219.66,40 41,41 1.799,42 2,43 4,44 0.003,45 0.8,46 1.162,47 0.67,48 5,49 0.901,50 11.249,51 5.028,52 3.412,53 14,54 3.907,55 3.404,56 2,57 3.272,58 1.09,59 92.952,60 34.796,61 2.259,62 4.833,63 34.796,64 0.644,65 6.441,66 14.557,67 1.506,68 1.215,71 6.7}
{0 CHEMBL2007097,3 0.211,7 14.932,8 0.081,9 0.177,10 3.875,11 0.616,12 0.682,13 0.292,14 62,15 0.902,16 95.538,17 0.999,18 9.99,20 62,21 0.989,22 2,23 0.878,24 0.836,25 0.303,27 1.127,28 37.5,29 1.278,31 2.89,32 0.575,35 3.875,36 5,38 3.977,39 64,40 16,41 1.183,42 3,44 -0.016,45 0.4,47 0.743,48 1,50 0.831,51 3.875,52 2.783,53 7,54 3,55 2.756,56 1,57 2.861,59 32.78,60 67.693,61 1.725,62 3.46,63 67.693,64 0.718,65 5,66 4.431,67 -0.745,71 4.1}
{0 CHEMBL2007124,3 0.056,7 28.43,8 0.008,9 0.061,10 4.234,11 0.905,12 0.639,13 0.829,14 169.367,15 1.644,16 196.717,17 1.534,18 21.987,20 193.367,21 1.595,22 3,23 1.608,24 1.28,25 0.154,27 1.148,28 45,29 1.815,31 4.29,32 0.794,35 4.834,36 9,37 6.767,38 4.723,39 212.877,40 40,41 1.76,42 4,43 1,44 -0.007,45 0.4,46 1.118,47 0.683,48 10,49 0.759,50 6.125,51 5.003,52 3.573,53 16,54 4.087,55 3.553,56 3,57 3.61,58 0.996,60 115.453,61 2.526,62 4.753,63 70.573,64 0.696,65 6.16,66 9.278,67 1.749,68 1.078,71 7.3}
{0 CHEMBL2007151,2 9.121,3 -0.024,5 3,7 30.322,8 -0.131,9 0.025,10 4.568,11 1.1,12 0.66,13 1.059,14 324.328,15 1.894,16 222.406,17 1.894,18 27.304,19 1,20 365.877,21 1.908,22 6,23 1.862,24 1.735,25 0.086,26 2.712,27 1.126,28 42.3,29 1.988,30 9,31 5.537,32 0.995,33 3,34 10.658,35 5.153,36 6,37 8.38,38 5.21,39 436.632,40 71,41 2.005,42 5,43 12,44 0.079,45 0.7,46 1.643,47 0.661,48 17,49 1.172,50 27.525,51 5.35,52 3.789,53 22,54 4.524,55 3.793,56 5,57 3.694,58 1.513,59 146.108,60 71.492,61 2.617,62 5.556,63 71.492,64 0.616,65 7.245,66 30.782,67 1.872,68 1.592,69 2,70 2,71 5.8}
{0 CHEMBL2007266,2 4.194,3 0.035,7 32.114,8 0.011,9 0.051,10 4.944,11 0.962,12 0.649,13 1.043,14 316.436,15 1.788,16 285.291,17 1.87,18 27.402,19 2,20 350.49,21 1.874,22 5,23 1.761,24 1.685,25 0.087,27 1.13,28 43.8,29 1.933,30 3,31 5.13,32 0.867,33 2,34 2.29,35 5.476,36 9,37 8.189,38 5.27,39 384,40 64,41 1.926,42 6,43 4,44 0.032,45 0.6,46 1.528,47 0.676,48 15,49 1.122,50 15.303,51 5.551,52 3.814,53 28,54 4.858,55 3.803,56 4,57 3.694,58 1.464,59 169.605,60 119.104,61 2.654,62 5.278,63 104.144,64 0.652,65 7.081,66 22.1,67 2.339,68 1.589,69 1,70 1,71 5.6}
{0 CHEMBL2007375,2 7.615,3 -0.009,7 25.271,8 -0.081,9 0.023,10 4.493,11 0.935,12 0.648,13 0.819,14 179.716,15 1.585,16 215.639,17 1.58,18 18.659,20 201.367,21 1.604,22 3,23 1.552,24 1.357,25 0.154,27 1.143,28 47.5,29 1.72,31 4.5,32 0.814,35 5.034,36 8,37 7.446,38 4.907,39 212.877,40 40,41 1.744,42 4,43 2,44 0.003,45 0.4,46 1.132,47 0.696,48 7,49 0.715,50 6.991,51 5.084,52 3.514,53 19,54 4.322,55 3.513,56 2,57 3.545,58 0.963,60 114.473,61 2.45,62 4.637,63 69.593,64 0.703,65 6.805,66 10.406,67 1.843,68 1.144,69 2,70 2,71 5.6}
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{0 CHEMBL2007559,1 2,2 8.489,3 0.028,4 1,7 38.175,8 -0.099,9 0.031,10 4.717,11 0.954,12 0.661,13 0.941,14 216.964,15 1.631,16 183.728,17 1.686,18 23.927,19 1,20 230.574,21 1.729,22 3,23 1.557,24 1.458,25 0.142,27 1.151,28 39.1,29 1.859,30 3,31 4.727,32 0.893,33 2,34 0.261,35 5.012,36 10,37 7.646,38 4.835,39 254.084,40 46,41 1.824,42 5,43 5,44 0.027,45 0.8,46 1.185,47 0.675,48 9,49 0.974,50 8.897,51 5.012,52 3.456,53 17,54 4.17,55 3.465,56 2,57 3.824,58 1.181,59 127.12,60 132.484,61 2.445,62 4.809,63 87.603,64 0.66,65 6.678,66 17.334,67 1.683,68 1.226,69 2,70 2,71 5.6}
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{0 CHEMBL2012881,3 0.087,7 23.016,8 0.036,9 0.075,10 4.571,11 0.844,12 0.679,13 0.536,14 150.855,15 1.463,16 142.04,17 1.525,18 15.342,19 1,20 162.465,21 1.582,22 4,23 1.409,24 1.288,25 0.16,26 1.515,27 1.123,28 45.5,29 1.649,30 1,31 5.004,32 0.75,33 1,34 -0.101,35 4.923,36 6,37 7.785,38 4.75,39 166.465,40 33,41 1.654,42 4,43 1,44 0.014,45 0.4,46 1.071,47 0.696,48 8,49 0.667,50 6.377,51 4.984,52 3.424,53 14,54 3.907,55 3.408,56 2,57 3.602,58 0.728,59 60.02,60 54.461,61 2.555,62 4.536,63 54.461,64 0.686,65 6.767,66 9.394,67 1.058,68 1.004,71 6.187}
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{0 CHEMBL202721,1 1,2 8.881,3 -0.102,5 2,7 49.594,8 -0.215,9 -0.015,10 4.651,11 1.165,12 0.671,13 1.01,14 320.905,15 1.854,16 250.022,17 1.951,18 34.191,19 1,20 363.978,21 1.939,22 5,23 1.827,24 1.754,25 0.085,26 2.388,27 1.126,28 42,29 1.99,30 7,31 5.088,32 0.985,33 6,34 6.009,35 5.275,36 9,37 8.013,38 5.153,39 421.488,40 69,41 1.979,42 5,43 8,44 0.066,45 0.7,46 1.513,47 0.663,48 26,49 1.094,50 17.15,51 5.431,52 3.786,53 24,54 4.644,55 3.79,56 4,57 3.648,58 1.411,60 72.717,61 2.574,62 5.363,63 72.717,64 0.635,65 6.973,66 27.619,67 2.17,68 1.486,69 2,70 2,71 5.6}
{0 CHEMBL2029988,2 11.919,3 -0.118,7 43.786,8 -0.14,9 -0.029,10 4.774,11 1.189,12 0.682,13 1.057,14 281.65,15 1.758,16 251.389,17 1.676,18 32.44,20 305.302,21 1.728,22 4,23 1.725,24 1.441,25 0.113,27 1.148,28 40.7,29 1.921,31 5.004,32 0.958,35 5.175,36 13,37 7.898,38 5.171,39 347.076,40 59,41 1.927,42 5,43 6,44 0.038,45 0.7,46 1.417,47 0.656,48 13,49 1.056,50 10.695,51 5.242,52 3.786,53 23,54 4.585,55 3.766,56 3,57 3.731,58 1.342,60 134.069,61 2.644,62 5.311,63 89.189,64 0.663,65 6.956,66 20.987,67 2.338,68 1.357,69 3,70 3,71 5.328}
{0 CHEMBL2030386,3 -0.011,7 21.9,8 -0.172,9 0.027,10 4.705,11 0.819,12 0.693,13 0.541,14 169.362,15 1.56,16 100.903,17 1.688,18 17.545,20 178.117,21 1.71,22 4,23 1.506,24 1.459,25 0.148,26 2.076,27 1.124,28 41.7,29 1.778,30 4,31 4.997,32 0.801,33 3,34 2.691,35 4.948,36 7,37 7.587,38 4.742,39 186.117,40 36,41 1.804,42 3,43 5,44 -0.003,45 0.8,46 0.941,47 0.703,48 10,49 1.072,50 5.759,51 4.948,52 3.494,53 12,54 3.7,55 3.488,56 2,57 3.561,58 0.876,59 128.548,60 37.921,61 2.494,62 4.73,63 83.875,64 0.678,65 6.856,66 10.147,67 1.545,68 1.033,71 5.444}
{0 CHEMBL2031893,2 4.321,3 -0.097,5 1,7 49.085,8 -0.123,9 -0.022,10 4.741,11 1.094,12 0.66,13 0.978,14 303.417,15 1.867,16 248.751,17 1.807,18 35.004,20 341.471,21 1.811,22 5,23 1.844,24 1.654,25 0.091,26 3.013,27 1.124,28 45.3,29 1.974,31 5.283,32 0.917,35 5.335,36 10,37 8.098,38 5.323,39 384,40 64,41 1.95,42 4,43 4,44 0.056,45 0.5,46 1.576,47 0.681,48 20,49 1.048,50 15.974,51 5.484,52 3.81,53 26,54 4.755,55 3.805,56 4,57 3.829,58 1.456,60 55.76,61 2.726,62 5.243,63 40.8,64 0.669,65 7.119,66 21.791,67 2.393,68 1.525,69 1,70 1,71 6}
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{0 CHEMBL2035043,1 1,2 9.096,3 -0.054,4 1,5 3,7 36.423,8 -0.169,9 0.007,10 4.741,11 0.993,12 0.67,13 0.7,14 227.549,15 1.706,16 205.606,17 1.81,18 22.494,19 2,20 262.078,21 1.819,22 5,23 1.655,24 1.664,25 0.099,27 1.115,28 47.9,29 1.875,30 3,31 5.075,32 0.87,33 3,34 1.962,35 5.46,36 5,37 8.361,38 5.057,39 268.078,40 48,41 1.883,42 4,43 3,44 0.073,45 0.6,46 1.306,47 0.699,48 17,49 1.036,50 14.178,51 5.46,52 3.68,53 23,54 4.585,55 3.662,56 1,57 3.669,58 1.22,59 61.203,60 53.481,61 2.634,62 5.066,63 53.481,64 0.667,65 7.096,66 16.996,67 1.555,68 1.278,69 2,70 2,71 6.824}
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{0 CHEMBL2035048,1 1,2 8.824,3 -0.112,4 1,5 2,7 34.213,8 -0.193,9 -0.016,10 4.344,11 1.124,12 0.673,13 0.64,14 195.482,15 1.665,16 185.781,17 1.695,18 22.732,19 1,20 229.133,21 1.694,22 4,23 1.629,24 1.524,25 0.105,27 1.121,28 44.4,29 1.853,30 4,31 4.654,32 0.932,33 4,34 1.995,35 5.092,36 6,37 7.495,38 4.757,39 247.133,40 45,41 1.845,42 3,43 4,44 0.071,45 0.8,46 1.286,47 0.677,48 17,49 0.893,50 12.124,51 5.27,52 3.574,53 18,54 4.248,55 3.56,56 1,57 3.449,58 1.222,60 51.582,61 2.38,62 4.932,63 51.582,64 0.654,65 6.39,66 16.826,67 1.478,68 1.237,69 2,70 2,71 6.658}
{0 CHEMBL2035049,1 1,2 9.255,3 -0.091,4 1,5 6,7 48.797,8 -0.232,9 -0.008,10 5.088,11 1.131,12 0.681,13 1,14 340.918,15 1.706,16 220.476,17 1.838,18 32.729,19 2,20 376.428,21 1.833,22 6,23 1.656,24 1.665,25 0.078,26 2.46,27 1.124,28 43.3,29 1.88,30 9,31 5.298,32 0.977,33 7,34 8.345,35 5.618,36 7,37 8.447,38 5.177,39 406.428,40 67,41 1.883,42 5,43 9,44 0.087,45 0.8,46 1.633,47 0.669,48 24,49 1.177,50 20.344,51 5.618,52 3.684,53 23,54 4.585,55 3.679,56 2,57 3.759,58 1.509,59 100.889,60 56.605,61 2.685,62 5.422,63 56.605,64 0.633,65 7.178,66 28.046,67 2.095,68 1.65,69 2,70 2,71 7.201}
{0 CHEMBL2035050,1 1,2 9.454,3 -0.088,4 1,5 6,7 50.267,8 -0.225,9 -0.007,10 5.188,11 1.141,12 0.676,13 1.039,14 363.134,15 1.725,16 223.01,17 1.841,18 35.155,19 2,20 394.295,21 1.835,22 6,23 1.681,24 1.691,25 0.077,26 2.462,27 1.125,28 42.9,29 1.891,30 9,31 5.361,32 0.992,33 7,34 8.339,35 5.633,36 7,37 8.517,38 5.21,39 429.05,40 70,41 1.886,42 5,43 10,44 0.087,45 0.8,46 1.633,47 0.666,48 23,49 1.177,50 22.2,51 5.633,52 3.72,53 23,54 4.585,55 3.705,56 2,57 3.863,58 1.511,59 102.938,60 56.605,61 2.801,62 5.493,63 56.605,64 0.627,65 7.231,66 29.749,67 2.108,68 1.653,69 2,70 2,71 6.432}
{0 CHEMBL2035051,1 1,2 13.455,3 -0.126,4 1,5 5,7 46.587,8 -0.258,9 -0.025,10 4.834,11 1.22,12 0.679,13 0.975,14 319.056,15 1.677,16 221.528,17 1.84,18 32.967,19 1,20 350.93,21 1.837,22 5,23 1.635,24 1.612,25 0.082,26 2.448,27 1.129,28 40.9,29 1.863,30 10,31 4.997,32 1.029,33 8,34 8.421,35 5.317,36 8,37 7.761,38 4.94,39 398.93,40 66,41 1.86,42 5,43 10,44 0.082,45 1,46 1.515,47 0.656,48 23,49 1.127,50 19.277,51 5.438,52 3.677,53 19,54 4.322,55 3.679,56 2,57 3.497,58 1.508,60 71.492,61 2.404,62 5.404,63 71.492,64 0.623,65 6.621,66 28.276,67 2.084,68 1.544,69 3,70 3,71 6.538}
{0 CHEMBL2035052,1 1,2 13.401,3 -0.126,4 1,5 7,7 44.709,8 -0.258,9 -0.025,10 5.029,11 1.22,12 0.679,13 0.975,14 331.91,15 1.706,16 221.528,17 1.839,18 31.892,19 1,20 364.93,21 1.838,22 5,23 1.661,24 1.602,25 0.082,26 2.45,27 1.129,28 40.9,29 1.888,30 10,31 4.997,32 1.029,33 7,34 8.793,35 5.529,36 8,37 7.761,38 4.94,39 398.93,40 66,41 1.909,42 5,43 10,44 0.082,45 1,46 1.594,47 0.656,48 22,49 1.138,50 19.24,51 5.56,52 3.677,53 19,54 4.322,55 3.679,56 2,57 3.481,58 1.508,60 71.492,61 2.359,62 5.351,63 71.492,64 0.623,65 6.621,66 28.105,67 2.04,68 1.583,69 3,70 3,71 7.745}
{0 CHEMBL2035053,1 1,2 13.63,3 -0.122,4 1,5 7,7 46.179,8 -0.251,9 -0.024,10 5.154,11 1.228,12 0.674,13 1.013,14 355.614,15 1.712,16 224.063,17 1.84,18 34.318,19 1,20 384.733,21 1.838,22 5,23 1.667,24 1.626,25 0.08,26 2.452,27 1.129,28 40.6,29 1.893,30 10,31 5.063,32 1.044,33 7,34 8.787,35 5.576,36 8,37 7.848,38 4.982,39 421.488,40 69,41 1.914,42 5,43 11,44 0.081,45 1,46 1.594,47 0.653,48 21,49 1.139,50 21.061,51 5.576,52 3.678,53 19,54 4.322,55 3.679,56 2,57 3.497,58 1.511,60 71.492,61 2.38,62 5.427,63 71.492,64 0.618,65 6.681,66 29.769,67 2.087,68 1.585,69 3,70 3,71 7.854}
{0 CHEMBL2035054,1 1,2 9.055,3 -0.147,4 1,5 5,7 50.759,8 -0.304,9 -0.035,10 5.091,11 1.264,12 0.686,13 1.008,14 346.173,15 1.692,16 207.198,17 1.828,18 35.123,19 1,20 377.193,21 1.826,22 5,23 1.647,24 1.591,25 0.083,26 4.72,27 1.131,28 39.7,29 1.88,30 10,31 5.024,32 1.065,33 8,34 9.11,35 5.547,36 8,37 7.711,38 4.93,39 413.947,40 68,41 1.86,42 5,43 11,44 0.088,45 1,46 1.63,47 0.648,48 27,49 1.138,50 21.27,51 5.547,52 3.677,53 18,54 4.248,55 3.679,56 2,57 3.513,58 1.509,60 57.83,61 2.418,62 5.463,63 57.83,64 0.612,65 6.571,66 30.004,67 2.084,68 1.576,69 2,70 2,71 6.481}
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{0 CHEMBL211378,2 12,3 0.056,7 24.218,8 -0.015,9 0.059,10 4.414,11 0.898,12 0.676,13 0.694,14 189.82,15 1.742,16 243.566,17 1.58,18 17.311,20 211.82,21 1.624,22 4,23 1.707,24 1.324,25 0.119,27 1.128,28 44.2,29 1.897,31 4.762,32 0.79,35 4.926,36 8,37 7.903,38 5.02,39 233.329,40 43,41 1.8,42 6,43 1,44 0.026,45 0.4,46 1.181,47 0.692,48 8,49 0.843,50 6.852,51 5.083,52 3.729,53 23,54 4.585,55 3.71,56 3,57 3.608,58 1.153,59 118.128,60 122.086,61 2.578,62 4.827,63 122.086,64 0.679,65 6.868,66 12.258,67 1.539,68 1.212,69 3,70 3,71 5.8}
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{0 CHEMBL2151321,1 1,2 17.314,3 -0.121,5 1,7 33.802,8 -0.217,9 -0.029,10 4.707,11 1.164,12 0.696,13 0.848,14 225.939,15 1.628,16 220.323,17 1.759,18 25.097,19 2,20 245.814,21 1.795,22 4,23 1.58,24 1.547,25 0.106,27 1.145,28 39.6,29 1.857,31 4.942,32 0.964,35 5.121,36 9,37 8.067,38 5.009,39 268.078,40 48,41 1.889,42 7,43 5,44 0.059,45 0.8,46 1.341,47 0.662,48 7,49 0.99,50 10.314,51 5.121,52 3.661,53 21,54 4.459,55 3.631,56 3,57 3.637,58 1.232,59 117.076,60 118.553,61 2.525,62 4.922,63 103.592,64 0.644,65 6.958,66 17.577,67 1.473,68 1.339,69 4,70 4,71 7.166}
{0 CHEMBL215152,1 1,2 12.897,3 -0.049,7 51.895,8 -0.137,9 0.002,10 5.196,11 1.15,12 0.662,13 1.088,14 348.163,15 1.724,16 249.231,17 1.809,18 34.329,19 2,20 387.673,21 1.82,22 4,23 1.654,24 1.641,25 0.091,26 2.173,27 1.141,28 38.8,29 1.959,30 7,31 4.942,32 0.992,33 5,34 4.032,35 5.786,36 11,37 7.779,38 5.07,39 406.428,40 67,41 1.961,42 7,43 8,44 0.034,45 0.7,46 1.524,47 0.649,48 18,49 1.063,50 17.129,51 5.786,52 3.743,53 23,54 4.585,55 3.721,56 3,57 3.626,58 1.378,60 121.003,61 2.553,62 5.335,63 106.043,64 0.627,65 6.796,66 25.778,67 2.24,68 1.598,69 3,70 3,71 5.35}
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{0 CHEMBL2152298,2 8.889,3 -0.099,5 1,7 27.282,8 -0.299,9 -0.018,10 4.768,11 1.187,12 0.68,13 0.784,14 238.418,15 1.76,16 167.004,17 1.697,18 17.861,19 1,20 253.928,21 1.707,22 4,23 1.714,24 1.467,25 0.121,26 4.908,27 1.133,28 40,29 1.917,30 4,31 4.7,32 1.049,33 3,34 4.441,35 5.079,36 5,37 6.714,38 4.77,39 282.193,40 50,41 1.854,42 5,43 8,44 0.085,45 0.8,46 1.442,47 0.653,48 16,49 0.989,50 18.175,51 5.134,52 3.701,53 16,54 4.087,55 3.705,56 3,57 3.564,58 1.356,59 96.899,60 56.605,61 2.534,62 5.29,63 56.605,64 0.608,65 6.28,66 21.768,67 1.512,68 1.301,69 2,70 2,71 6.114}
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{0 CHEMBL2152300,2 8.824,3 -0.126,5 3,7 11.501,8 -0.351,9 -0.028,10 4.773,11 1.144,12 0.717,13 0.661,14 186.131,15 1.521,16 164.327,17 1.682,18 12.937,19 2,20 196.131,21 1.686,22 4,23 1.474,24 1.468,25 0.157,26 1.79,27 1.135,28 41,29 1.724,30 5,31 5.011,32 0.943,33 2,34 3.229,35 5.029,36 7,37 8.045,38 4.895,39 206.131,40 39,41 1.684,42 6,43 6,44 0.066,45 0.8,46 1.284,47 0.674,48 6,49 0.819,50 9.748,51 5.029,52 3.501,53 16,54 4.087,55 3.473,56 2,57 3.562,58 1.101,59 137.096,60 86.439,61 2.482,62 4.897,63 86.439,64 0.653,65 7.082,66 14.72,67 1.512,68 1.265,69 2,70 2,71 8.921}
{0 CHEMBL2152301,2 9.057,3 -0.075,5 1,7 16.979,8 -0.263,10 4.605,11 1.075,12 0.7,13 0.739,14 211.819,15 1.774,16 162.099,17 1.699,18 14.507,19 2,20 233.329,21 1.71,22 5,23 1.721,24 1.476,25 0.116,26 2.56,27 1.126,28 43.5,29 1.931,30 5,31 5.118,32 0.941,33 3,34 5.669,35 5.072,36 5,37 8.093,38 5.02,39 254.084,40 46,41 1.907,42 5,43 6,44 0.09,45 0.8,46 1.322,47 0.677,48 13,49 1.094,50 14.414,51 5.132,52 3.676,53 20,54 4.392,55 3.673,56 3,57 3.558,58 1.203,59 151.487,60 55.38,61 2.509,62 5.122,63 55.38,64 0.637,65 7.118,66 18.898,67 1.321,68 1.293,69 2,70 2,71 7.252}
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{0 CHEMBL2171740,1 2,2 8.063,3 -0.113,4 1,7 30.361,8 -0.225,9 -0.029,10 4.414,11 1.032,12 0.688,13 0.592,14 136.825,15 1.261,16 150.842,17 1.44,18 19.018,19 1,20 144.825,21 1.527,22 2,23 1.153,24 1.106,25 0.167,27 1.158,28 38.7,29 1.58,31 3.932,32 0.88,35 4.672,36 8,37 6.49,38 4.394,39 153.58,40 31,41 1.577,42 4,43 2,44 -0.001,45 0.6,46 0.833,47 0.678,48 7,49 0.587,50 4.367,51 4.736,52 3.041,53 12,54 3.7,55 3.027,56 2,57 3.101,58 0.746,60 99.513,61 1.943,62 4.323,63 69.593,64 0.678,65 5.688,66 9.66,67 0.821,68 0.854,69 2,70 2,71 5.495}
{0 CHEMBL2171741,1 2,2 8.475,3 -0.121,4 1,7 36.779,8 -0.331,9 -0.034,10 4.73,11 1.128,12 0.69,13 0.685,14 212.869,15 1.679,16 162.371,17 1.581,18 25.251,19 1,20 217.624,21 1.57,22 3,23 1.625,24 1.268,25 0.137,26 1.812,27 1.137,28 37.8,29 1.88,30 4,31 4.419,32 0.981,33 4,34 2.435,35 4.836,36 8,37 6.957,38 4.64,39 247.133,40 45,41 1.801,42 5,43 6,44 0.028,45 1,46 1.238,47 0.664,48 14,49 0.825,50 9.958,51 4.836,52 3.554,53 13,54 3.807,55 3.537,56 3,57 3.657,58 1.064,60 72.717,61 2.511,62 4.9,63 72.717,64 0.635,65 6.035,66 18.433,67 1.812,68 1.318,69 2,70 2,71 5.495}
{0 CHEMBL2171742,1 2,2 8.433,3 -0.085,4 1,7 35.475,8 -0.333,9 -0.03,10 4.69,11 0.887,12 0.69,13 0.642,14 196.968,15 1.671,16 153.415,17 1.581,18 24.628,19 1,20 201.722,21 1.57,22 3,23 1.618,24 1.265,25 0.137,26 1.792,27 1.133,28 38.1,29 1.862,30 4,31 4.419,32 0.868,33 4,34 2.381,35 4.803,36 9,37 6.957,38 4.64,39 226.477,40 42,41 1.796,42 5,43 5,45 0.8,46 1.069,47 0.702,48 14,49 0.825,50 9.06,51 4.803,52 3.551,53 13,54 3.807,55 3.536,56 3,57 3.622,58 1.064,60 72.717,61 2.435,62 4.773,63 118.671,64 0.668,65 6.035,66 13.755,67 1.851,68 1.117,69 2,70 2,71 5.495}
{0 CHEMBL2171743,1 2,2 8.602,3 -0.133,4 1,7 39.709,8 -0.371,9 -0.049,10 4.779,11 1.034,12 0.692,13 0.695,14 219.819,15 1.671,16 166.041,17 1.581,18 27.239,19 1,20 224.574,21 1.57,22 3,23 1.619,24 1.265,25 0.132,26 1.78,27 1.137,28 37,29 1.868,30 4,31 4.511,32 0.963,33 4,34 2.329,35 4.882,36 9,37 7.02,38 4.668,39 254.084,40 46,41 1.787,42 5,43 6,44 0.006,45 1,46 1.237,47 0.67,48 17,49 0.838,50 11.077,51 4.882,52 3.549,53 13,54 3.807,55 3.531,56 3,57 3.663,58 1.083,60 72.717,61 2.483,62 4.872,63 118.671,64 0.641,65 6.108,66 18.64,67 1.876,68 1.347,69 2,70 2,71 5.523}
{0 CHEMBL2171744,1 2,2 7.946,3 -0.191,4 1,7 39.68,8 -0.322,9 -0.056,10 4.779,11 1.313,12 0.702,13 0.753,14 219.819,15 1.671,16 172.107,17 1.582,18 27.225,19 1,20 224.574,21 1.571,22 3,23 1.618,24 1.265,25 0.132,26 1.744,27 1.147,28 37,29 1.874,30 4,31 4.511,32 1.047,33 4,34 2.213,35 4.882,36 9,37 7.02,38 4.668,39 254.084,40 46,41 1.809,42 5,43 6,44 0.05,45 1,46 1.244,47 0.64,48 17,49 0.825,50 10.706,51 4.882,52 3.548,53 13,54 3.807,55 3.53,56 3,57 3.676,58 1.085,60 87.677,61 2.563,62 4.884,63 72.717,64 0.627,65 6.108,66 18.819,67 1.877,68 1.359,69 2,70 2,71 5.495}
{0 CHEMBL2171745,1 2,2 7.59,3 -0.18,4 1,7 43.578,8 -0.246,9 -0.053,10 4.818,11 1.317,12 0.698,13 0.913,14 236.101,15 1.675,16 173.931,17 1.59,18 29.892,19 1,20 240.856,21 1.579,22 3,23 1.622,24 1.268,25 0.144,26 1.684,27 1.161,28 36.7,29 1.885,30 4,31 4.663,32 1.046,33 4,34 1.99,35 4.915,36 11,37 7.159,38 4.749,39 275.121,40 49,41 1.835,42 5,43 7,44 0.033,45 1,46 1.263,47 0.634,48 17,49 0.89,50 10.947,51 4.915,52 3.55,53 13,54 3.807,55 3.531,56 3,57 3.732,58 1.102,60 117.597,61 2.626,62 5.037,63 72.717,64 0.636,65 6.245,66 20.516,67 1.88,68 1.376,69 2,70 2,71 5.495}
{0 CHEMBL2171746,1 2,2 8.394,3 -0.181,4 1,7 41.498,8 -0.358,9 -0.053,10 4.826,11 1.269,12 0.694,13 0.726,14 226.801,15 1.675,16 213.833,17 1.587,18 28.882,19 1,20 231.556,21 1.574,22 3,23 1.622,24 1.268,25 0.14,26 1.758,27 1.139,28 38.3,29 1.882,30 4,31 4.564,32 1.012,33 4,34 2.249,35 4.927,36 9,37 7.159,38 4.749,39 261.066,40 47,41 1.838,42 6,43 6,44 0.052,45 0.8,46 1.267,47 0.654,48 17,49 0.841,50 11.041,51 4.927,52 3.55,53 14,54 3.907,55 3.531,56 3,57 3.696,58 1.108,60 103.776,61 2.608,62 4.919,63 103.776,64 0.637,65 6.245,66 18.63,67 1.881,68 1.376,69 2,70 2,71 5.495}
{0 CHEMBL2171747,1 1,2 9.084,3 -0.008,4 1,7 20.315,8 -0.032,9 0.016,10 3.879,11 0.967,12 0.63,13 0.668,14 174.565,15 1.806,16 195.732,17 1.557,18 13.627,19 2,20 199.849,21 1.576,22 4,23 1.766,24 1.303,25 0.114,27 1.118,28 46.7,29 1.944,31 4.883,32 0.896,35 4.441,36 4,37 8.381,38 5,39 247.133,40 45,41 1.916,42 4,43 3,44 0.069,45 0.5,46 1.366,47 0.691,48 9,49 1.028,50 10.225,51 4.686,52 3.783,53 22,54 4.524,55 3.776,56 3,57 3.587,58 1.181,59 97.533,60 52.623,61 2.542,62 4.92,63 52.623,64 0.651,65 7.038,66 16.233,67 1.498,68 1.292,69 2,70 2,71 8.523}
{0 CHEMBL2171748,1 2,2 8.393,3 -0.127,4 1,7 37.57,8 -0.348,9 -0.035,10 4.517,11 1.11,12 0.698,13 0.647,14 189.722,15 1.671,16 159.836,17 1.581,18 24.657,19 1,20 193.722,21 1.57,22 3,23 1.618,24 1.265,25 0.142,26 1.799,27 1.137,28 38.1,29 1.869,30 4,31 4.29,32 0.955,33 4,34 2.439,35 4.612,36 8,37 6.902,38 4.58,39 226.477,40 42,41 1.798,42 5,43 5,44 0.025,45 0.8,46 1.181,47 0.67,48 15,49 0.825,50 8.98,51 4.612,52 3.547,53 13,54 3.807,55 3.53,56 3,57 3.489,58 1.064,60 72.717,61 2.39,62 4.78,63 72.717,64 0.644,65 5.933,66 16.421,67 1.787,68 1.117,69 2,70 2,71 8.155}
{0 CHEMBL2177122,2 12.716,3 -0.043,5 6,7 17.615,8 -0.09,9 -0.017,10 4.649,11 0.82,12 0.683,13 0.625,14 176.666,15 1.584,16 178.86,17 1.691,18 13.885,19 2,20 186.666,21 1.722,22 4,23 1.538,24 1.466,25 0.125,27 1.125,28 44.7,29 1.806,31 4.736,32 0.756,35 4.912,36 9,37 7.651,38 5.061,39 199.421,40 38,41 1.749,42 6,43 1,44 0.011,45 0.4,46 1.079,47 0.743,48 7,49 0.806,50 6.195,51 4.912,52 3.633,53 22,54 4.524,55 3.613,56 3,57 3.598,58 1,59 101.502,60 71.063,61 2.447,62 4.607,63 71.063,64 0.726,65 6.797,66 7.91,67 1.605,68 1.067,69 3,70 3,71 6.616}
{0 CHEMBL2178247,1 1,2 13.025,3 -0.056,5 3,7 30.708,8 -0.131,9 -0.013,10 4.844,11 0.944,12 0.685,13 0.724,14 208.31,15 1.602,16 204.523,17 1.681,18 22.151,19 2,20 223.82,21 1.684,22 4,23 1.56,24 1.489,25 0.121,27 1.133,28 41.9,29 1.77,31 4.844,32 0.839,35 5.205,36 9,37 7.697,38 5.061,39 233.329,40 43,41 1.776,42 7,43 2,44 0.028,45 0.6,46 1.139,47 0.701,48 9,49 0.859,50 8.625,51 5.205,52 3.651,53 22,54 4.524,55 3.643,56 3,57 3.494,58 1.053,59 108.011,60 89.074,61 2.418,62 4.769,63 89.074,64 0.682,65 6.884,66 12.939,67 1.724,68 1.187,69 3,70 3,71 8.292}
{0 CHEMBL2178248,2 12.713,3 -0.031,5 3,7 11.333,8 -0.094,9 -0.001,10 4.496,11 0.839,12 0.67,13 0.577,14 166.343,15 1.722,16 193.737,17 1.644,18 9.121,19 1,20 190.75,21 1.672,22 4,23 1.687,24 1.485,25 0.129,27 1.116,28 48.6,29 1.847,31 4.673,32 0.757,35 5.155,36 7,37 7.6,38 5.005,39 192.75,40 37,41 1.838,42 5,44 0.019,45 0.4,46 1.062,47 0.74,48 7,49 0.88,50 6.505,51 5.209,52 3.65,53 23,54 4.585,55 3.649,56 3,57 3.439,58 1.027,59 95.488,60 69.409,61 2.361,62 4.564,63 69.409,64 0.723,65 6.757,66 7.483,67 1.522,68 1.055,69 3,70 3,71 7.81}
{0 CHEMBL2178249,2 12.491,3 -0.031,7 11.333,8 -0.094,9 -0.001,10 4.52,11 0.839,12 0.67,13 0.577,14 167.24,15 1.71,16 193.737,17 1.639,18 9.121,19 1,20 190.75,21 1.669,22 4,23 1.674,24 1.481,25 0.129,27 1.116,28 48.6,29 1.84,31 4.673,32 0.757,35 5.155,36 7,37 7.6,38 5.005,39 192.75,40 37,41 1.818,42 5,44 0.019,45 0.4,46 1.074,47 0.74,48 6,49 0.862,50 6.036,51 5.209,52 3.638,53 23,54 4.585,55 3.636,56 3,57 3.439,58 1.021,59 95.488,60 69.409,61 2.36,62 4.579,63 69.409,64 0.723,65 6.757,66 7.565,67 1.522,68 1.083,69 3,70 3,71 8.149}
{0 CHEMBL2178250,2 12.721,3 -0.032,7 14.721,8 -0.093,10 4.696,11 0.868,12 0.663,13 0.618,14 187.858,15 1.738,16 196.272,17 1.66,18 11.546,19 1,20 208.122,21 1.688,22 4,23 1.702,24 1.491,25 0.125,27 1.118,28 47.5,29 1.864,31 4.771,32 0.789,35 5.203,36 7,37 7.708,38 5.035,39 212.877,40 40,41 1.861,42 5,43 1,44 0.023,45 0.4,46 1.104,47 0.729,48 6,49 0.929,50 7.473,51 5.203,52 3.668,53 23,54 4.585,55 3.667,56 3,57 3.477,58 1.057,59 100.623,60 69.409,61 2.398,62 4.685,63 69.409,64 0.707,65 6.805,66 10.185,67 1.545,68 1.083,69 3,70 3,71 8.013}
{0 CHEMBL2178251,2 12.667,3 -0.056,5 3,7 16.333,8 -0.094,9 -0.019,10 4.712,11 0.899,12 0.68,13 0.636,14 179.057,15 1.541,16 184.835,17 1.705,18 12.283,19 2,20 194.666,21 1.731,22 4,23 1.506,24 1.496,25 0.129,27 1.126,28 44.7,29 1.784,31 4.718,32 0.802,35 5.123,36 8,37 7.582,38 5.012,39 199.421,40 38,41 1.726,42 6,43 1,44 0.028,45 0.4,46 1.087,47 0.721,48 8,49 0.777,50 6.238,51 5.123,52 3.618,53 22,54 4.524,55 3.598,56 3,57 3.463,58 1.05,59 98.179,60 71.063,61 2.368,62 4.605,63 71.063,64 0.705,65 6.762,66 9.786,67 1.545,68 1.08,69 3,70 3,71 6.987}
{0 CHEMBL2178252,2 12.762,3 -0.056,5 6,7 16.333,8 -0.094,9 -0.019,10 4.712,11 0.899,12 0.68,13 0.636,14 179.057,15 1.584,16 184.835,17 1.69,18 12.283,19 2,20 194.666,21 1.722,22 4,23 1.538,24 1.466,25 0.129,27 1.126,28 44.7,29 1.806,31 4.718,32 0.802,35 5.123,36 8,37 7.582,38 5.012,39 199.421,40 38,41 1.749,42 6,43 1,44 0.028,45 0.4,46 1.101,47 0.721,48 8,49 0.806,50 6.686,51 5.123,52 3.632,53 22,54 4.524,55 3.614,56 3,57 3.466,58 1.053,59 98.179,60 71.063,61 2.376,62 4.611,63 71.063,64 0.705,65 6.762,66 9.759,67 1.545,68 1.073,69 3,70 3,71 8.495}
{0 CHEMBL2178253,2 12.302,3 0.018,5 3,7 11.333,8 0.016,9 0.025,10 4.662,11 0.798,12 0.677,13 0.595,14 163.16,15 1.559,16 191.325,17 1.55,18 9.121,19 2,20 179.525,21 1.604,22 4,23 1.523,24 1.357,25 0.134,27 1.125,28 45.7,29 1.728,31 4.625,32 0.725,35 5.129,36 8,37 7.491,38 4.982,39 179.525,40 35,41 1.649,42 6,44 0.012,45 0.4,46 1.085,47 0.732,48 5,49 0.702,50 4.866,51 5.129,52 3.597,53 22,54 4.524,55 3.578,56 3,57 3.439,58 0.965,59 92.623,60 85.949,61 2.357,62 4.523,63 85.949,64 0.721,65 6.7,66 6.697,67 1.374,68 1.018,69 3,70 3,71 8.495}
{0 CHEMBL2178254,2 12.714,3 0.009,5 6,7 18.833,8 -0.035,9 0.025,10 4.813,11 0.854,12 0.683,13 0.684,14 192.513,15 1.585,16 211.013,17 1.691,18 15.446,19 2,20 206.122,21 1.722,22 4,23 1.539,24 1.467,25 0.125,27 1.133,28 42.5,29 1.807,31 4.796,32 0.771,35 5.153,36 9,37 7.628,38 5.042,39 212.877,40 40,41 1.749,42 7,43 1,44 0.013,45 0.4,46 1.139,47 0.71,48 8,49 0.806,50 7.205,51 5.153,52 3.633,53 22,54 4.524,55 3.614,56 3,57 3.484,58 1.053,59 102.855,60 103.96,61 2.407,62 4.688,63 103.96,64 0.695,65 6.825,66 10.597,67 1.72,68 1.104,69 3,70 3,71 9}
{0 CHEMBL2178255,2 12.437,3 0.088,5 3,7 13.833,8 0.07,9 0.074,10 4.788,11 0.751,12 0.68,13 0.645,14 177.14,15 1.567,16 217.503,17 1.599,18 12.283,19 2,20 190.75,21 1.642,22 4,23 1.529,24 1.376,25 0.129,27 1.132,28 43.2,29 1.748,31 4.71,32 0.692,35 5.155,36 9,37 7.537,38 5.012,39 192.75,40 37,41 1.664,42 7,44 -0.004,45 0.4,46 1.09,47 0.72,48 5,49 0.708,50 5.491,51 5.155,52 3.603,53 22,54 4.524,55 3.584,56 3,57 3.47,58 1.011,59 97.3,60 118.846,61 2.4,62 4.58,63 118.846,64 0.71,65 6.767,66 7.624,67 1.374,68 1.073,69 3,70 3,71 8.886}
{0 CHEMBL2178256,2 11.972,3 0.059,5 6,7 13.833,8 0.026,9 0.052,10 4.736,11 0.781,12 0.69,13 0.6,14 170.508,15 1.559,16 206.466,17 1.496,18 12.283,19 1,20 184.117,21 1.515,22 4,23 1.524,24 1.35,25 0.129,27 1.128,28 44.4,29 1.729,31 4.71,32 0.701,35 5.114,36 9,37 7.537,38 5.012,39 186.117,40 36,41 1.647,42 6,44 0.004,45 0.4,46 1.069,47 0.725,48 5,49 0.691,50 4.532,51 5.114,52 3.57,53 22,54 4.524,55 3.543,56 3,57 3.47,58 0.999,59 97.3,60 105.117,61 2.401,62 4.546,63 105.117,64 0.721,65 6.767,66 6.518,67 1.374,68 1.067,69 3,70 3,71 7.496}
{0 CHEMBL2178257,2 12.156,3 0.059,5 6,7 13.833,8 0.026,9 0.052,10 4.792,11 0.781,12 0.69,13 0.6,14 172.508,15 1.558,16 206.466,17 1.498,18 12.283,19 1,20 184.117,21 1.531,22 4,23 1.525,24 1.348,25 0.129,27 1.128,28 44.4,29 1.729,31 4.71,32 0.701,35 5.114,36 9,37 7.537,38 5.012,39 186.117,40 36,41 1.646,42 6,44 0.004,45 0.4,46 1.069,47 0.725,48 5,49 0.69,50 4.513,51 5.114,52 3.57,53 22,54 4.524,55 3.541,56 3,57 3.471,58 0.997,59 97.3,60 105.117,61 2.402,62 4.548,63 105.117,64 0.721,65 6.767,66 6.61,67 1.374,68 1.068,69 3,70 3,71 8.745}
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{0 CHEMBL2178259,2 13.017,3 -0.055,5 6,7 18.833,8 -0.09,9 -0.017,10 4.707,11 0.951,12 0.667,13 0.713,14 207.096,15 1.699,16 194.089,17 1.718,18 15.446,19 2,20 222.705,21 1.748,22 4,23 1.629,24 1.544,25 0.121,27 1.128,28 43.2,29 1.925,31 4.868,32 0.861,35 5.061,36 8,37 7.709,38 5.051,39 240.215,40 44,41 1.914,42 6,43 3,44 0.035,45 0.6,46 1.235,47 0.703,48 6,49 0.957,50 7.784,51 5.061,52 3.669,53 22,54 4.524,55 3.657,56 3,57 3.572,58 1.117,59 109.759,60 71.063,61 2.487,62 4.86,63 71.063,64 0.678,65 6.83,66 13.853,67 1.545,68 1.239,69 3,70 3,71 7.31}
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{0 CHEMBL2178352,1 2,2 14.349,3 -0.102,4 1,5 2,7 56.339,8 -0.322,9 -0.013,10 4.371,11 1.164,12 0.707,13 1.094,14 292.879,15 1.803,16 231.745,17 1.89,18 35.361,19 3,20 333.408,21 1.883,22 6,23 1.754,24 1.702,25 0.084,26 4.81,27 1.134,28 40.3,29 1.973,30 8,31 5.407,32 1.009,33 4,34 9.106,35 4.976,36 8,37 8.391,38 5.139,39 406.428,40 67,41 1.923,42 8,43 10,44 0.089,45 0.8,46 1.538,47 0.659,48 21,49 1.211,50 17.62,51 5.159,52 3.796,53 22,54 4.524,55 3.799,56 5,57 3.591,58 1.513,59 150.462,60 94.526,61 2.489,62 5.453,63 94.526,64 0.619,65 7.138,66 28.825,67 1.941,68 1.483,69 3,70 3,71 5.921}
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{0 CHEMBL2178800,2 12.851,3 -0.056,5 6,7 17.803,8 -0.092,9 -0.018,10 4.833,11 0.926,12 0.673,13 0.674,14 198.15,15 1.585,16 187.37,17 1.693,18 14.709,19 2,20 210.15,21 1.725,22 4,23 1.539,24 1.466,25 0.125,27 1.127,28 43.9,29 1.807,31 4.762,32 0.833,35 5.126,36 8,37 7.648,38 5.051,39 219.66,40 41,41 1.749,42 6,43 2,44 0.032,45 0.4,46 1.144,47 0.711,48 7,49 0.808,50 7.785,51 5.126,52 3.644,53 22,54 4.524,55 3.622,56 3,57 3.597,58 1.1,59 102.191,60 71.063,61 2.525,62 4.742,63 71.063,64 0.69,65 6.801,66 12.264,67 1.644,68 1.225,69 3,70 3,71 7.462}
{0 CHEMBL2178801,2 12.805,3 -0.099,5 7,7 20.984,8 -0.142,9 -0.036,10 4.88,11 0.987,12 0.685,13 0.683,14 204.968,15 1.584,16 191.486,17 1.691,18 16.597,19 2,20 216.968,21 1.724,22 4,23 1.538,24 1.466,25 0.121,27 1.129,28 42.9,29 1.807,31 4.812,32 0.85,35 5.166,36 9,37 7.68,38 5.07,39 226.477,40 42,41 1.749,42 6,43 2,44 0.034,45 0.4,46 1.144,47 0.705,48 10,49 0.806,50 8.508,51 5.166,52 3.635,53 22,54 4.524,55 3.614,56 3,57 3.607,58 1.1,59 106.44,60 71.063,61 2.506,62 4.719,63 71.063,64 0.691,65 6.835,66 12.741,67 1.741,68 1.225,69 3,70 3,71 7.65}
{0 CHEMBL2178802,2 12.832,3 -0.009,5 6,7 19.662,8 -0.04,9 0.018,10 4.796,11 0.982,12 0.673,13 0.733,14 206.21,15 1.587,16 219.523,17 1.695,18 16.27,19 2,20 219.82,21 1.727,22 4,23 1.541,24 1.467,25 0.125,27 1.134,28 41.9,29 1.807,31 4.771,32 0.857,35 5.112,36 8,37 7.631,38 5.051,39 233.329,40 43,41 1.749,42 7,43 2,44 0.049,45 0.6,46 1.244,47 0.681,48 8,49 0.808,50 8.7,51 5.159,52 3.637,53 22,54 4.524,55 3.616,56 3,57 3.563,58 1.14,59 102.166,60 103.96,61 2.517,62 4.811,63 103.96,64 0.663,65 6.821,66 14.102,67 1.649,68 1.377,69 3,70 3,71 7.164}
{0 CHEMBL2178803,2 12.896,3 -0.011,5 6,7 21.133,8 -0.039,9 0.016,10 4.735,11 1.008,12 0.667,13 0.771,14 217.819,15 1.589,16 222.058,17 1.7,18 18.695,19 2,20 229.819,21 1.732,22 4,23 1.544,24 1.468,25 0.121,27 1.135,28 41.3,29 1.807,31 4.836,32 0.886,35 4.996,36 8,37 7.69,38 5.08,39 254.084,40 46,41 1.75,42 7,43 3,44 0.052,45 0.6,46 1.341,47 0.675,48 7,49 0.814,50 9.729,51 5.17,52 3.654,53 22,54 4.524,55 3.631,56 3,57 3.62,58 1.243,59 106.868,60 103.96,61 2.574,62 4.929,63 103.96,64 0.653,65 6.862,66 16.067,67 1.724,68 1.379,69 3,70 3,71 7.394}
{0 CHEMBL2178804,2 12.676,3 0.023,5 6,7 19.474,8 -0.03,9 0.03,10 4.803,11 0.775,12 0.685,13 0.674,14 192.122,15 1.585,16 205.037,17 1.69,18 17.047,19 2,20 204.122,21 1.72,22 4,23 1.539,24 1.467,25 0.121,27 1.131,28 42.5,29 1.807,31 4.836,32 0.723,35 5.103,36 10,37 7.69,38 5.08,39 212.877,40 40,41 1.749,42 7,43 1,44 -0.001,45 0.4,46 1.138,47 0.731,48 7,49 0.806,50 6.783,51 5.153,52 3.638,53 22,54 4.524,55 3.618,56 3,57 3.575,58 0.994,59 106.868,60 103.96,61 2.443,62 4.685,63 103.96,64 0.716,65 6.862,66 8.87,67 1.747,68 1.104,69 3,70 3,71 8.131}
{0 CHEMBL2178805,2 12.803,3 0.004,5 6,7 20.303,8 -0.035,9 0.021,10 4.926,11 0.886,12 0.676,13 0.723,14 211.82,15 1.586,16 213.548,17 1.694,18 17.871,19 2,20 221.82,21 1.725,22 4,23 1.541,24 1.467,25 0.121,27 1.133,28 41.9,29 1.807,31 4.836,32 0.805,35 5.159,36 9,37 7.69,38 5.08,39 233.329,40 43,41 1.749,42 7,43 2,44 0.018,45 0.6,46 1.243,47 0.701,48 7,49 0.808,50 8.357,51 5.159,52 3.644,53 22,54 4.524,55 3.623,56 3,57 3.603,58 1.138,59 106.868,60 103.96,61 2.531,62 4.81,63 103.96,64 0.682,65 6.862,66 13.046,67 1.724,68 1.375,69 3,70 3,71 8.009}
{0 CHEMBL2178806,2 12.759,3 -0.056,5 3,7 20.708,8 -0.094,9 -0.019,10 4.662,11 0.899,12 0.68,13 0.636,14 177.157,15 1.599,16 184.835,17 1.68,18 15.827,19 2,20 194.666,21 1.684,22 4,23 1.557,24 1.487,25 0.129,27 1.126,28 44.7,29 1.768,31 4.718,32 0.802,35 5.123,36 8,37 7.582,38 5.012,39 199.421,40 38,41 1.775,42 6,43 1,44 0.028,45 0.4,46 1.102,47 0.721,48 6,49 0.857,50 6.955,51 5.123,52 3.651,53 22,54 4.524,55 3.642,56 3,57 3.465,58 1.051,59 98.179,60 71.063,61 2.373,62 4.626,63 71.063,64 0.705,65 6.762,66 9.441,67 1.545,68 1.08,69 3,70 3,71 7.924}
{0 CHEMBL2178807,2 12.711,3 0.009,5 3,7 23.208,8 -0.035,9 0.025,10 4.765,11 0.854,12 0.683,13 0.684,14 190.612,15 1.6,16 211.013,17 1.68,18 18.989,19 2,20 206.122,21 1.684,22 4,23 1.558,24 1.488,25 0.125,27 1.133,28 42.5,29 1.769,31 4.796,32 0.771,35 5.153,36 9,37 7.628,38 5.042,39 212.877,40 40,41 1.775,42 7,43 1,44 0.013,45 0.4,46 1.137,47 0.71,48 6,49 0.857,50 7.476,51 5.153,52 3.651,53 22,54 4.524,55 3.642,56 3,57 3.482,58 1.051,59 102.855,60 103.96,61 2.402,62 4.702,63 103.96,64 0.695,65 6.825,66 10.288,67 1.72,68 1.127,69 3,70 3,71 8.602}
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{0 CHEMBL2181085,1 1,2 8.981,3 -0.016,4 1,5 2,7 41.13,8 -0.06,9 0.03,10 4.364,11 1.028,12 0.652,13 0.73,14 218.193,15 1.682,16 226.384,17 1.782,18 25.894,19 1,20 252.193,21 1.778,22 4,23 1.64,24 1.622,25 0.098,27 1.123,28 44,29 1.864,30 4,31 4.745,32 0.902,33 4,34 2.064,35 5.044,36 6,37 7.648,38 4.822,39 282.193,40 50,41 1.859,42 4,43 4,44 0.048,45 0.6,46 1.289,47 0.676,48 18,49 0.993,50 15.658,51 5.244,52 3.595,53 19,54 4.322,55 3.578,56 1,57 3.464,58 1.277,60 84.479,61 2.396,62 5.119,63 84.479,64 0.645,65 6.508,66 18.714,67 1.954,68 1.325,69 2,70 2,71 7.456}
{0 CHEMBL2181086,1 1,2 9.134,3 -0.093,4 1,5 3,7 57.326,8 -0.209,9 -0.018,10 4.739,11 1.205,12 0.649,13 1.044,14 341.215,15 1.722,16 245.829,17 1.864,18 37.05,19 1,20 382.725,21 1.872,22 4,23 1.652,24 1.682,25 0.09,26 2.231,27 1.13,28 40.3,29 1.952,30 8,31 5.011,32 1.051,33 7,34 4.898,35 5.316,36 8,37 7.787,38 4.943,39 444.235,40 72,41 1.959,42 5,43 10,44 0.059,45 0.9,46 1.722,47 0.65,48 24,49 1.161,50 23.163,51 5.482,52 3.599,53 20,54 4.392,55 3.583,56 1,57 3.5,58 1.524,60 72.717,61 2.438,62 5.496,63 72.717,64 0.613,65 6.649,66 30.069,67 2.238,68 1.584,69 2,70 2,71 7.357}
{0 CHEMBL2181087,1 1,2 9.191,3 -0.127,4 1,5 5,7 51.667,8 -0.235,9 -0.025,10 4.911,11 1.237,12 0.669,13 1.011,14 348.716,15 1.682,16 221.727,17 1.841,18 35.886,19 1,20 383.877,21 1.838,22 5,23 1.64,24 1.625,25 0.082,26 2.431,27 1.128,28 40.8,29 1.865,30 10,31 5.112,32 1.046,33 8,34 8.176,35 5.407,36 8,37 7.851,38 5.002,39 436.632,40 71,41 1.86,42 4,43 11,44 0.082,45 0.9,46 1.582,47 0.652,48 28,49 1.173,50 22.423,51 5.519,52 3.677,53 19,54 4.322,55 3.679,56 2,57 3.506,58 1.514,60 54.706,61 2.417,62 5.462,63 54.706,64 0.618,65 6.709,66 30.945,67 2.266,68 1.567,69 2,70 2,71 7.444}
{0 CHEMBL2181088,1 1,2 9.361,3 -0.098,4 1,5 5,7 48.057,8 -0.204,9 -0.013,10 4.873,11 1.198,12 0.66,13 1.001,14 341.134,15 1.714,16 217.611,17 1.841,18 35.392,19 1,20 376.295,21 1.838,22 5,23 1.673,24 1.637,25 0.08,26 2.454,27 1.126,28 41.4,29 1.881,30 10,31 5.063,32 1.037,33 8,34 8.551,35 5.376,36 7,37 7.848,38 4.982,39 429.05,40 70,41 1.871,42 4,43 11,44 0.08,45 1,46 1.526,47 0.654,48 25,49 1.174,50 22.087,51 5.49,52 3.678,53 19,54 4.322,55 3.679,56 2,57 3.533,58 1.511,60 54.706,61 2.484,62 5.483,63 54.706,64 0.616,65 6.681,66 30.389,67 2.105,68 1.551,69 2,70 2,71 8.155}
{0 CHEMBL2181310,1 1,2 8.611,3 -0.101,4 1,5 5,7 47.249,8 -0.179,9 -0.015,10 4.825,11 1.188,12 0.667,13 1.029,14 323.267,15 1.676,16 214.722,17 1.841,18 34.595,19 1,20 358.428,21 1.838,22 5,23 1.636,24 1.621,25 0.081,26 2.424,27 1.131,28 41.8,29 1.861,30 10,31 5.063,32 1.015,33 8,34 8.075,35 5.35,36 8,37 7.848,38 4.982,39 406.428,40 67,41 1.86,42 4,43 10,44 0.07,45 1,46 1.526,47 0.656,48 25,49 1.172,50 19.543,51 5.469,52 3.677,53 19,54 4.322,55 3.679,56 2,57 3.528,58 1.508,60 69.666,61 2.459,62 5.416,63 54.706,64 0.627,65 6.681,66 28.267,67 2.199,68 1.548,69 2,70 2,71 7.77}
{0 CHEMBL2181311,1 1,2 9.205,3 -0.127,4 1,5 5,7 51.238,8 -0.235,9 -0.025,10 4.883,11 1.237,12 0.669,13 1.011,14 346.716,15 1.682,16 221.727,17 1.841,18 37.28,19 1,20 381.877,21 1.838,22 5,23 1.64,24 1.625,25 0.078,26 2.447,27 1.128,28 40.8,29 1.865,30 10,31 5.094,32 1.046,33 8,34 8.388,35 5.379,36 8,37 7.845,38 5.002,39 436.632,40 71,41 1.86,42 4,43 11,44 0.082,45 0.9,46 1.589,47 0.652,48 28,49 1.173,50 22.22,51 5.519,52 3.677,53 19,54 4.322,55 3.679,56 2,57 3.524,58 1.509,60 54.706,61 2.423,62 5.461,63 54.706,64 0.618,65 6.708,66 30.945,67 2.245,68 1.583,69 2,70 2,71 6.481}
{0 CHEMBL2181312,1 1,2 8.965,3 -0.101,4 1,5 5,7 48.236,8 -0.179,9 -0.015,10 4.825,11 1.188,12 0.667,13 1.029,14 323.267,15 1.681,16 214.722,17 1.841,18 34.595,19 1,20 358.428,21 1.838,22 5,23 1.64,24 1.623,25 0.08,26 2.43,27 1.131,28 41.8,29 1.864,30 10,31 5.043,32 1.015,33 8,34 7.953,35 5.35,36 8,37 7.808,38 4.972,39 406.428,40 67,41 1.86,42 4,43 10,44 0.07,45 1,46 1.52,47 0.656,48 25,49 1.169,50 19.668,51 5.469,52 3.677,53 19,54 4.322,55 3.679,56 2,57 3.544,58 1.508,60 69.666,61 2.449,62 5.416,63 54.706,64 0.627,65 6.676,66 28.267,67 2.243,68 1.548,69 2,70 2,71 7.62}
{0 CHEMBL2181313,1 1,2 9.186,3 -0.127,4 1,5 5,7 49.718,8 -0.235,9 -0.025,10 4.827,11 1.237,12 0.669,13 1.011,14 342.716,15 1.682,16 221.727,17 1.841,18 35.795,19 1,20 379.877,21 1.838,22 5,23 1.641,24 1.625,25 0.078,26 2.448,27 1.128,28 40.8,29 1.865,30 10,31 5.088,32 1.046,33 8,34 8.315,35 5.35,36 8,37 7.876,38 5.002,39 436.632,40 71,41 1.86,42 4,43 11,44 0.082,45 0.9,46 1.565,47 0.652,48 28,49 1.173,50 22.194,51 5.491,52 3.677,53 19,54 4.322,55 3.679,56 2,57 3.656,58 1.524,60 54.706,61 2.566,62 5.461,63 54.706,64 0.618,65 6.72,66 30.945,67 2.19,68 1.551,69 2,70 2,71 7.721}
{0 CHEMBL2181314,1 1,2 9.012,3 -0.101,4 1,5 5,7 45.906,8 -0.179,9 -0.015,10 4.825,11 1.188,12 0.667,13 1.029,14 323.267,15 1.68,16 214.722,17 1.841,18 33.244,19 1,20 358.428,21 1.838,22 5,23 1.639,24 1.623,25 0.081,26 2.433,27 1.131,28 41.8,29 1.863,30 10,31 5.05,32 1.015,33 8,34 7.773,35 5.35,36 8,37 7.84,38 4.982,39 406.428,40 67,41 1.86,42 4,43 10,44 0.07,45 1,46 1.526,47 0.656,48 25,49 1.168,50 19.626,51 5.469,52 3.677,53 19,54 4.322,55 3.679,56 2,57 3.629,58 1.508,60 69.666,61 2.531,62 5.422,63 54.706,64 0.627,65 6.674,66 28.267,67 2.185,68 1.548,69 2,70 2,71 7.602}
{0 CHEMBL2181315,1 1,2 8.963,3 -0.064,4 1,5 2,7 30.245,8 -0.136,9 0.001,10 4.324,11 1.06,12 0.648,13 0.67,14 207.549,15 1.736,16 200.207,17 1.778,18 20.583,19 1,20 236.078,21 1.779,22 4,23 1.688,24 1.626,25 0.101,27 1.118,28 45.8,29 1.909,30 4,31 4.682,32 0.923,33 2,34 2.994,35 4.918,36 5,37 7.585,38 4.785,39 268.078,40 48,41 1.939,42 3,43 4,44 0.065,45 0.6,46 1.23,47 0.683,48 15,49 1.067,50 14.574,51 5.127,52 3.618,53 19,54 4.322,55 3.623,56 1,57 3.42,58 1.123,60 51.582,61 2.312,62 4.929,63 51.582,64 0.651,65 6.474,66 17.55,67 1.5,68 1.235,69 2,70 2,71 5.921}
{0 CHEMBL2181316,1 1,2 8.932,3 -0.067,4 1,5 1,7 30.876,8 -0.141,10 4.547,11 1.042,12 0.654,13 0.629,14 204.604,15 1.688,16 197.672,17 1.792,18 20.583,19 1,20 235.133,21 1.802,22 4,23 1.642,24 1.633,25 0.105,27 1.116,28 46.7,29 1.854,30 3,31 4.673,32 0.899,33 2,34 1.962,35 5.225,36 5,37 7.595,38 4.777,39 247.133,40 45,41 1.894,42 3,43 3,44 0.065,45 0.6,46 1.159,47 0.689,48 15,49 1.053,50 12.816,51 5.359,52 3.598,53 19,54 4.322,55 3.592,56 1,57 3.42,58 1.117,60 51.582,61 2.313,62 4.864,63 51.582,64 0.66,65 6.484,66 15.777,67 1.473,68 1.127,69 2,70 2,71 6.638}
{0 CHEMBL2181317,1 1,2 9.004,3 -0.098,4 1,5 5,7 35.467,8 -0.171,9 -0.014,10 4.84,11 1.128,12 0.655,13 0.724,14 251.668,15 1.709,16 206.857,17 1.778,18 24.485,19 1,20 281.668,21 1.779,22 4,23 1.664,24 1.624,25 0.1,27 1.121,28 44.2,29 1.889,30 4,31 4.787,32 0.958,33 3,34 2.396,35 5.417,36 6,37 7.68,38 4.858,39 296.423,40 52,41 1.91,42 3,43 5,44 0.069,45 0.8,46 1.397,47 0.673,48 19,49 1.093,50 16.211,51 5.455,52 3.601,53 19,54 4.322,55 3.596,56 1,57 3.479,58 1.175,60 51.582,61 2.365,62 5.067,63 51.582,64 0.644,65 6.554,66 20.068,67 1.837,68 1.327,69 2,70 2,71 6.886}
{0 CHEMBL2181318,1 1,2 8.973,3 -0.102,4 1,5 5,7 36.097,8 -0.177,9 -0.015,10 4.589,11 1.113,12 0.661,13 0.685,14 224.856,15 1.656,16 204.323,17 1.789,18 24.485,19 1,20 260.366,21 1.789,22 4,23 1.616,24 1.621,25 0.103,27 1.12,28 44.9,29 1.825,30 3,31 4.779,32 0.937,33 3,34 1.405,35 5.314,36 6,37 7.699,38 4.85,39 275.121,40 49,41 1.842,42 3,43 4,44 0.068,45 0.6,46 1.322,47 0.678,48 19,49 0.982,50 14.799,51 5.395,52 3.587,53 19,54 4.322,55 3.57,56 1,57 3.48,58 1.175,60 51.582,61 2.365,62 5.01,63 51.582,64 0.652,65 6.564,66 18.37,67 1.817,68 1.264,69 2,70 2,71 6.585}
{0 CHEMBL2181319,1 1,2 9.026,3 -0.098,4 1,5 4,7 37.344,8 -0.171,9 -0.014,10 4.494,11 1.128,12 0.655,13 0.724,14 233.668,15 1.682,16 206.857,17 1.781,18 25.56,19 1,20 267.668,21 1.777,22 4,23 1.64,24 1.621,25 0.1,27 1.121,28 44.2,29 1.864,30 4,31 4.787,32 0.958,33 4,34 2.019,35 5.147,36 6,37 7.68,38 4.858,39 296.423,40 52,41 1.859,42 3,43 5,44 0.069,45 0.8,46 1.407,47 0.673,48 21,49 0.993,50 16.159,51 5.301,52 3.595,53 19,54 4.322,55 3.578,56 1,57 3.495,58 1.275,60 51.582,61 2.413,62 5.122,63 51.582,64 0.644,65 6.554,66 20.302,67 1.914,68 1.342,69 2,70 2,71 7.155}
{0 CHEMBL2181320,1 1,2 8.923,3 -0.028,4 1,5 2,7 34.15,8 -0.108,9 0.019,10 4.431,11 1.041,12 0.652,13 0.685,14 217.121,15 1.682,16 190.731,17 1.778,18 23.403,19 1,20 251.121,21 1.774,22 4,23 1.64,24 1.62,25 0.101,27 1.12,28 44.9,29 1.864,30 4,31 4.736,32 0.904,33 4,34 1.78,35 5.125,36 6,37 7.646,38 4.834,39 275.121,40 49,41 1.859,42 3,43 4,44 0.044,45 0.6,46 1.276,47 0.678,48 18,49 0.993,50 13.809,51 5.288,52 3.595,53 19,54 4.322,55 3.578,56 1,57 3.49,58 1.199,60 51.582,61 2.41,62 5.083,63 51.582,64 0.652,65 6.52,66 17.853,67 1.805,68 1.273,69 2,70 2,71 7.276}
{0 CHEMBL2181321,1 1,2 9.174,3 -0.11,4 1,5 5,7 46.83,8 -0.223,9 -0.016,10 4.619,11 1.168,12 0.674,13 0.884,14 281.775,15 1.686,16 210.008,17 1.86,18 31.355,19 1,20 315.775,21 1.86,22 5,23 1.642,24 1.651,25 0.089,26 2.353,27 1.125,28 42.6,29 1.879,30 8,31 5.063,32 0.991,33 8,34 5.369,35 5.177,36 7,37 7.809,38 4.94,39 361.775,40 61,41 1.867,42 4,43 8,44 0.081,45 1,46 1.513,47 0.664,48 26,49 1.086,50 20.953,51 5.341,52 3.6,53 19,54 4.322,55 3.582,56 2,57 3.537,58 1.407,60 54.706,61 2.442,62 5.329,63 54.706,64 0.632,65 6.681,66 25.637,67 2.084,68 1.376,69 2,70 2,71 7.222}
{0 CHEMBL2181322,1 1,2 9.19,3 -0.081,4 1,5 4,7 50.29,8 -0.204,9 -0.003,10 4.535,11 1.14,12 0.674,13 0.929,14 281.16,15 1.699,16 223.045,17 1.863,18 32.815,19 1,20 323.16,21 1.867,22 5,23 1.644,24 1.674,25 0.089,26 2.415,27 1.127,28 41.9,29 1.908,30 8,31 5.063,32 0.986,33 8,34 6.136,35 5.212,36 7,37 7.809,38 4.94,39 369.16,40 62,41 1.901,42 5,43 8,44 0.075,45 1,46 1.513,47 0.662,48 26,49 1.112,50 21.337,51 5.374,52 3.602,53 19,54 4.322,55 3.584,56 2,57 3.537,58 1.407,60 72.717,61 2.443,62 5.365,63 72.717,64 0.627,65 6.681,66 25.99,67 2.054,68 1.376,69 2,70 2,71 7.081}
{0 CHEMBL2181323,1 1,2 9.212,3 -0.117,4 1,5 5,7 50.504,8 -0.27,9 -0.023,10 4.595,11 1.19,12 0.676,13 0.97,14 298.699,15 1.721,16 216.555,17 1.863,18 33.007,19 1,20 340.699,21 1.869,22 5,23 1.654,24 1.679,25 0.087,26 4.812,27 1.128,28 41.5,29 1.926,30 8,31 5.1,32 1.023,33 8,34 6.328,35 5.242,36 7,37 7.828,38 4.954,39 391.454,40 65,41 1.92,42 5,43 9,44 0.084,45 1,46 1.526,47 0.659,48 29,49 1.128,50 21.81,51 5.395,52 3.607,53 19,54 4.322,55 3.589,56 2,57 3.55,58 1.513,60 57.83,61 2.452,62 5.469,63 57.83,64 0.621,65 6.696,66 27.906,67 2.093,68 1.464,69 2,70 2,71 7.387}
{0 CHEMBL2181324,1 1,2 9.207,3 -0.089,4 1,5 5,7 51.5,8 -0.244,9 -0.011,10 4.671,11 1.186,12 0.674,13 1.02,14 322.269,15 1.736,16 210.264,17 1.863,18 33.897,19 1,20 371.488,21 1.87,22 5,23 1.67,24 1.68,25 0.082,26 4.695,27 1.129,28 40.6,29 1.936,30 10,31 5.17,32 1.024,33 10,34 6.727,35 5.384,36 8,37 7.849,38 4.975,39 421.488,40 69,41 1.929,42 5,43 10,44 0.068,45 1,46 1.526,47 0.653,48 30,49 1.144,50 23.887,51 5.529,52 3.615,53 19,54 4.322,55 3.599,56 2,57 3.56,58 1.513,60 57.83,61 2.459,62 5.511,63 57.83,64 0.618,65 6.71,66 29.611,67 2.096,68 1.548,69 2,70 2,71 7.076}
{0 CHEMBL2181325,1 1,2 9.182,3 -0.113,4 1,5 5,7 50.506,8 -0.262,9 -0.023,10 4.622,11 1.184,12 0.674,13 0.994,14 309.673,15 1.728,16 221.689,17 1.863,18 33.956,19 1,20 347.673,21 1.87,22 5,23 1.667,24 1.679,25 0.092,26 4.214,27 1.127,28 41.8,29 1.926,30 8,31 5.17,32 1.011,33 8,34 5.048,35 5.189,36 8,37 7.871,38 4.996,39 406.428,40 67,41 1.912,42 5,43 9,44 0.075,45 1,46 1.526,47 0.661,48 26,49 1.124,50 23.237,51 5.458,52 3.617,53 20,54 4.392,55 3.598,56 2,57 3.688,58 1.513,60 57.83,61 2.605,62 5.459,63 57.83,64 0.628,65 6.725,66 27.948,67 2.22,68 1.548,69 2,70 2,71 6.921}
{0 CHEMBL2181326,1 1,2 9.161,3 -0.134,4 1,5 5,7 52.863,8 -0.273,9 -0.016,10 4.787,11 1.3,12 0.664,13 1.079,14 339.877,15 1.828,16 216.278,17 1.864,18 35.078,19 1,20 381.877,21 1.872,22 5,23 1.834,24 1.682,25 0.107,26 3.807,27 1.128,28 39.4,29 1.985,30 9,31 5.236,32 1.033,33 9,34 4.207,35 5.379,36 10,37 7.904,38 5.055,39 436.632,40 71,41 1.897,42 5,43 10,44 0.196,45 0.9,46 1.526,47 0.664,48 28,49 1.171,50 25.83,51 5.519,52 3.817,53 21,54 4.459,55 3.858,56 2,57 3.904,58 1.513,60 56.225,61 2.864,62 5.543,63 56.225,64 0.627,65 6.749,66 33.031,67 2.283,68 1.548,69 2,70 2,71 6.824}
{0 CHEMBL2181327,1 1,2 9.184,3 -0.138,4 1,5 5,7 48.004,8 -0.296,9 -0.04,10 4.596,11 1.241,12 0.662,13 0.983,14 307.899,15 1.684,16 229.136,17 1.863,18 31.889,19 1,20 354.163,21 1.866,22 4,23 1.641,24 1.646,25 0.088,26 4.451,27 1.13,28 40.3,29 1.892,30 6,31 4.956,32 1.071,33 6,34 4.025,35 5.286,36 7,37 7.764,38 4.918,39 406.428,40 67,41 1.886,42 5,43 9,44 0.076,45 1,46 1.526,47 0.651,48 31,49 1.092,50 23.126,51 5.435,52 3.598,53 19,54 4.322,55 3.581,56 1,57 3.527,58 1.46,60 57.83,61 2.435,62 5.499,63 57.83,64 0.611,65 6.639,66 28.627,67 2.092,68 1.548,69 2,70 2,71 7.114}
{0 CHEMBL2181328,1 1,2 9.05,3 -0.086,4 1,5 4,7 38.038,8 -0.165,9 -0.013,10 4.654,11 1.06,12 0.653,13 0.753,14 255.975,15 1.682,16 203.416,17 1.784,18 26.203,19 1,20 289.975,21 1.781,22 4,23 1.64,24 1.622,25 0.094,27 1.121,28 43.6,29 1.864,30 6,31 4.868,32 0.933,33 6,34 2.795,35 5.272,36 7,37 7.712,38 4.873,39 317.975,40 55,41 1.859,42 3,43 6,44 0.039,45 0.8,46 1.407,47 0.684,48 22,49 0.995,50 17.752,51 5.418,52 3.596,53 19,54 4.322,55 3.579,56 1,57 3.497,58 1.275,60 51.582,61 2.413,62 5.141,63 51.582,64 0.651,65 6.591,66 22.792,67 2.071,68 1.342,69 2,70 2,71 6.658}
{0 CHEMBL2181329,1 1,2 9.15,3 -0.121,4 1,5 5,7 46.587,8 -0.233,9 -0.03,10 4.731,11 1.238,12 0.65,13 0.977,14 326.469,15 1.699,16 227.658,17 1.864,18 32.967,19 1,20 365.978,21 1.872,22 4,23 1.64,24 1.681,25 0.085,26 2.341,27 1.128,28 40.6,29 1.937,30 8,31 4.956,32 1.069,33 8,34 5.544,35 5.304,36 7,37 7.749,38 4.918,39 421.488,40 69,41 1.946,42 4,43 10,44 0.073,45 1,46 1.65,47 0.649,48 26,49 1.148,50 22.036,51 5.42,52 3.597,53 19,54 4.322,55 3.58,56 1,57 3.498,58 1.526,60 54.706,61 2.413,62 5.428,63 54.706,64 0.611,65 6.616,66 29.496,67 2.084,68 1.572,69 2,70 2,71 7.62}
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{0 CHEMBL218439,2 18.104,3 -0.202,4 1,5 5,7 37.16,8 -0.474,9 -0.073,10 4.599,11 1.126,12 0.733,13 0.82,14 229.928,15 1.8,16 197.754,17 1.822,18 25.266,19 1,20 255.438,21 1.842,22 5,23 1.742,24 1.634,25 0.098,26 4.538,27 1.131,28 42,29 1.958,30 4,31 5.236,32 0.936,33 4,34 3.7,35 5.109,36 9,37 8.351,38 5.079,39 282.193,40 50,41 1.93,42 7,43 5,44 0.053,45 0.8,46 1.435,47 0.694,48 17,49 1.019,50 7.959,51 5.149,52 3.704,53 22,54 4.524,55 3.686,56 4,57 3.706,58 1.134,59 116.112,60 75.29,61 2.509,62 5.068,63 75.29,64 0.668,65 7.083,66 18.211,67 1.595,68 1.376,69 4,70 4,71 7.77}
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{0 CHEMBL219722,2 4.186,3 0.144,7 20.83,8 0.186,9 0.104,10 3.757,11 0.779,12 0.635,13 0.674,14 161.555,15 1.777,16 239.165,17 1.694,18 14.885,19 1,20 196.574,21 1.746,22 4,23 1.748,24 1.396,25 0.123,27 1.121,28 46.5,29 1.88,31 4.71,32 0.747,35 4.571,36 6,37 7.869,38 4.99,39 233.329,40 43,41 1.885,42 5,44 0.01,45 0.6,46 1.181,47 0.699,48 12,49 0.979,50 8.913,51 4.961,52 3.76,53 23,54 4.585,55 3.757,56 3,57 3.56,58 1.161,59 111.663,60 102.245,61 2.518,62 4.803,63 102.245,64 0.674,65 6.86,66 12.432,67 1.519,68 1.104,69 1,70 1,71 6.2}
{0 CHEMBL220057,2 4.072,3 0.131,7 24.218,8 0.175,9 0.096,10 4.169,11 0.816,12 0.63,13 0.714,14 191.765,15 1.785,16 241.7,17 1.64,18 17.311,19 1,20 227.819,21 1.694,22 4,23 1.755,24 1.356,25 0.119,27 1.122,28 45.7,29 1.897,31 4.745,32 0.782,35 4.953,36 6,37 7.881,38 5.02,39 254.084,40 46,41 1.895,42 5,43 1,44 0.015,45 0.6,46 1.249,47 0.692,48 11,49 0.989,50 10.207,51 5.203,52 3.765,53 23,54 4.585,55 3.761,56 3,57 3.623,58 1.181,59 117.778,60 102.245,61 2.597,62 4.922,63 102.245,64 0.663,65 6.868,66 14.492,67 1.535,68 1.298,69 1,70 1,71 6}
{0 CHEMBL220241,2 16.506,3 -0.092,5 3,7 40.97,8 -0.191,9 -0.015,10 4.943,11 1.153,12 0.702,13 1.121,14 355.931,15 1.826,16 291.704,17 1.932,18 34.392,19 1,20 395.215,21 1.927,22 6,23 1.794,24 1.732,25 0.076,26 2.308,27 1.133,28 40.3,29 1.972,30 7,31 5.347,32 0.952,33 7,34 5.386,35 5.489,36 13,37 8.456,38 5.345,39 444.235,40 72,41 1.948,42 8,43 8,44 0.072,45 0.6,46 1.555,47 0.662,48 23,49 1.093,50 16.487,51 5.604,52 3.789,53 28,54 4.858,55 3.788,56 5,57 3.772,58 1.513,59 195.479,60 128.696,61 2.686,62 5.38,63 128.696,64 0.646,65 7.279,66 27.136,67 2.188,68 1.62,69 4,70 4,71 5.8}
{0 CHEMBL220483,1 1,2 18.379,3 -0.125,4 1,5 2,7 33.736,8 -0.271,9 -0.029,10 4.681,11 1.11,12 0.684,13 0.883,14 271.524,15 1.851,16 267.249,17 1.829,18 24.231,19 1,20 304.743,21 1.852,22 5,23 1.818,24 1.666,25 0.086,27 1.123,28 44.8,29 1.967,31 5.308,32 0.928,35 5.254,36 8,37 8.667,38 5.267,39 339.763,40 58,41 1.927,42 6,43 4,44 0.072,45 0.6,46 1.553,47 0.686,48 17,49 1.014,50 14.542,51 5.371,52 3.842,53 28,54 4.858,55 3.845,56 4,57 3.801,58 1.441,59 138.846,60 87.052,61 2.756,62 5.134,63 87.052,64 0.66,65 7.307,66 20.794,67 1.794,68 1.523,69 4,70 4,71 7.921}
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{0 CHEMBL2208026,1 1,2 8.683,3 -0.081,5 1,7 42.12,8 -0.224,9 -0.008,10 4.262,11 1.112,12 0.672,13 0.795,14 221.629,15 1.677,16 210.088,17 1.792,18 26.781,19 1,20 246.158,21 1.799,22 4,23 1.626,24 1.604,25 0.11,26 2.32,27 1.128,28 42.3,29 1.879,30 4,31 4.745,32 0.956,33 4,34 3.385,35 4.734,36 7,37 7.638,38 4.818,39 296.423,40 52,41 1.857,42 5,43 5,44 0.057,45 0.8,46 1.181,47 0.669,48 17,49 1.023,50 12.866,51 4.917,52 3.593,53 19,54 4.322,55 3.57,56 4,57 3.565,58 1.181,60 72.717,61 2.494,62 5.027,63 72.717,64 0.64,65 6.55,66 19.854,67 1.579,68 1.247,69 2,70 2,71 4.523}
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{0 CHEMBL2208035,1 1,2 8.967,3 -0.054,4 1,5 2,7 47.883,8 -0.194,9 0.011,10 4.64,11 1.097,12 0.684,13 0.935,14 278.374,15 1.681,16 229.047,17 1.819,18 31.975,19 1,20 304.904,21 1.818,22 5,23 1.631,24 1.622,25 0.1,26 2.306,27 1.13,28 41.7,29 1.881,30 6,31 4.934,32 0.938,33 4,34 4.225,35 5.082,36 9,37 7.742,38 4.947,39 354.413,40 60,41 1.856,42 6,43 7,44 0.052,45 0.8,46 1.513,47 0.667,48 18,49 1.12,50 14.007,51 5.24,52 3.7,53 20,54 4.392,55 3.684,56 5,57 3.812,58 1.209,60 90.728,61 2.725,62 5.198,63 90.728,64 0.642,65 6.604,66 22.946,67 2.138,68 1.376,69 2,70 2,71 4.523}
{0 CHEMBL220969,1 1,2 18.213,3 -0.065,4 1,7 28.14,8 -0.206,9 -0.006,10 4.598,11 0.964,12 0.672,13 0.793,14 234.485,15 1.855,16 295.319,17 1.829,18 20.324,19 1,20 270.539,21 1.845,22 5,23 1.82,24 1.677,25 0.113,27 1.117,28 49,29 1.971,31 5.236,32 0.836,35 5.305,36 7,37 8.647,38 5.252,39 289.294,40 51,41 1.93,42 7,43 2,44 0.057,45 0.4,46 1.226,47 0.718,48 12,49 1.015,50 10.501,51 5.422,52 3.847,53 29,54 4.907,55 3.854,56 4,57 3.781,58 1.181,59 127.44,60 118.111,61 2.75,62 5.019,63 118.111,64 0.692,65 7.299,66 14.843,67 1.786,68 1.282,69 4,70 4,71 7.252}
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{0 CHEMBL221912,1 1,2 13.127,3 -0.178,4 1,5 4,7 27.285,8 -0.373,9 -0.058,10 4.785,11 1.195,12 0.696,13 0.632,14 186.621,15 1.585,16 209.5,17 1.559,18 20.602,19 1,20 194.621,21 1.574,22 3,23 1.524,24 1.327,25 0.162,27 1.135,28 41,29 1.81,30 1,31 4.654,32 0.969,33 1,34 0.582,35 4.99,36 7,37 7.984,38 4.827,39 206.131,40 39,41 1.777,42 6,43 4,44 0.062,45 0.8,46 1.186,47 0.674,48 10,49 0.784,50 8.479,51 4.99,52 3.439,53 17,54 4.17,55 3.431,56 2,57 3.391,58 1.053,59 88.212,60 101.326,61 2.327,62 4.772,63 101.326,64 0.653,65 6.949,66 14.3,67 1.47,68 1.133,69 3,70 3,71 6.907}
{0 CHEMBL221959,2 8.656,3 -0.16,5 3,7 21.804,8 -0.402,9 -0.052,10 4.926,11 1.281,12 0.696,13 0.693,14 211.82,15 1.53,16 169.231,17 1.692,18 16.291,19 1,20 215.82,21 1.696,22 3,23 1.486,24 1.466,25 0.164,26 3.925,27 1.142,28 37.2,29 1.73,30 4,31 4.5,32 1.069,33 2,34 2.206,35 5.019,36 7,37 6.53,38 4.606,39 233.329,40 43,41 1.709,42 6,43 8,44 0.063,45 0.8,46 1.421,47 0.647,48 9,49 0.847,50 13.766,51 5.019,52 3.435,53 12,54 3.7,55 3.418,56 2,57 3.58,58 1.09,59 88.881,60 87.665,61 2.528,62 5.103,63 87.665,64 0.617,65 6.175,66 18.121,67 1.547,68 1.284,69 2,70 2,71 7.699}
{0 CHEMBL221976,1 1,2 17.32,3 -0.113,4 1,7 26.458,8 -0.256,9 -0.028,10 4.546,11 1.052,12 0.7,13 0.733,14 181.858,15 1.726,16 209.317,17 1.659,18 18.627,19 1,20 198.122,21 1.654,22 4,23 1.678,24 1.428,25 0.116,27 1.135,28 45,29 1.881,31 4.691,32 0.883,35 4.953,36 7,37 7.879,38 4.967,39 212.877,40 40,41 1.823,42 6,43 2,44 0.052,45 0.6,46 1.108,47 0.694,48 7,49 0.847,50 8.12,51 5.003,52 3.637,53 22,54 4.524,55 3.615,56 3,57 3.533,58 1.054,59 97.548,60 102.012,61 2.433,62 4.757,63 87.052,64 0.679,65 6.812,66 12.101,67 1.389,68 1.062,69 4,70 4,71 8.097}
{0 CHEMBL222027,1 1,2 18.113,3 -0.11,4 1,7 25.796,8 -0.272,9 -0.021,10 4.714,11 1.039,12 0.698,13 0.745,14 221.556,15 1.774,16 239.523,17 1.671,18 16.999,19 1,20 245.556,21 1.654,22 5,23 1.739,24 1.46,25 0.099,27 1.121,28 46.8,29 1.898,31 5.142,32 0.866,35 5.225,36 7,37 8.456,38 5.159,39 261.066,40 47,41 1.853,42 6,43 2,44 0.07,45 0.6,46 1.351,47 0.703,48 9,49 0.927,50 9.794,51 5.283,52 3.808,53 27,54 4.807,55 3.794,56 4,57 3.768,58 1.181,59 113.438,60 87.052,61 2.741,62 4.91,63 87.052,64 0.681,65 7.171,66 14.768,67 1.547,68 1.401,69 4,70 4,71 7.796}
{0 CHEMBL222028,1 1,2 13.23,3 -0.077,4 1,7 25.796,8 -0.242,9 -0.01,10 4.327,11 1.014,12 0.677,13 0.644,14 177.395,15 1.748,16 203.221,17 1.678,18 16.999,19 1,20 202.15,21 1.666,22 4,23 1.7,24 1.469,25 0.12,27 1.122,28 46.3,29 1.896,31 4.654,32 0.885,35 4.93,36 5,37 7.856,38 4.935,39 219.66,40 41,41 1.847,42 5,43 2,44 0.067,45 0.6,46 1.151,47 0.697,48 9,49 0.872,50 8.999,51 5.046,52 3.64,53 22,54 4.524,55 3.619,56 3,57 3.523,58 1.137,59 91.576,60 70.266,61 2.434,62 4.775,63 70.266,64 0.665,65 6.804,66 13.762,67 1.238,68 1.087,69 3,70 3,71 5}
{0 CHEMBL223257,2 8.103,3 -0.069,5 2,7 38.343,8 -0.21,9 0.002,10 4.801,11 1.13,12 0.68,13 0.769,14 259.254,15 1.687,16 197.554,17 1.794,18 28.96,20 286.764,21 1.799,22 3,23 1.63,24 1.559,25 0.12,27 1.138,28 37,29 1.87,30 7,31 4.736,32 0.939,33 4,34 2.255,35 5.31,36 12,37 6.755,38 4.775,39 310.764,40 54,41 1.802,42 5,43 8,45 0.9,46 1.274,47 0.657,48 11,49 1.03,50 13.738,51 5.496,52 3.54,53 14,54 3.907,55 3.552,56 1,57 3.481,58 1.205,60 100.652,61 2.36,62 5.127,63 100.652,64 0.647,65 6.173,66 19.57,67 2.211,68 1.305,69 2,70 2,71 5.8}
{0 CHEMBL223360,2 4.049,3 0.129,7 22.095,8 0.119,9 0.099,10 4.421,11 0.816,12 0.634,13 0.782,14 203.355,15 1.785,16 241.344,17 1.64,18 17.267,19 1,20 234.574,21 1.694,22 4,23 1.755,24 1.356,25 0.115,27 1.129,28 45.7,29 1.896,31 4.771,32 0.77,35 5.099,36 7,37 7.893,38 5.059,39 254.084,40 46,41 1.895,42 5,43 1,44 0.005,45 0.6,46 1.249,47 0.69,48 10,49 0.989,50 9.409,51 5.203,52 3.765,53 23,54 4.585,55 3.761,56 3,57 3.656,58 1.181,59 123.126,60 117.205,61 2.619,62 4.936,63 102.245,64 0.672,65 6.88,66 13.556,67 1.801,68 1.298,69 1,70 1,71 5.3}
{0 CHEMBL223367,2 8.149,3 -0.059,5 1,7 35.511,8 -0.184,10 4.748,11 1.095,12 0.667,13 0.757,14 246.913,15 1.694,16 195.972,17 1.76,18 27.729,20 270.423,21 1.754,22 3,23 1.636,24 1.545,25 0.127,27 1.135,28 38.5,29 1.884,30 8,31 4.663,32 0.945,33 3,34 4.432,35 5.2,36 10,37 6.677,38 4.749,39 296.423,40 52,41 1.812,42 5,43 8,44 0.011,45 1,46 1.251,47 0.665,48 8,49 0.986,50 14.009,51 5.393,52 3.541,53 14,54 3.907,55 3.553,56 1,57 3.491,58 1.204,60 100.652,61 2.401,62 5.108,63 100.652,64 0.645,65 6.141,66 19.484,67 2.081,68 1.278,69 2,70 2,71 5.4}
{0 CHEMBL223460,2 8.063,3 -0.139,5 1,7 35.931,8 -0.267,9 -0.007,10 4.879,11 1.263,12 0.677,13 0.787,14 243.928,15 1.701,16 214.07,17 1.822,18 27.564,20 255.438,21 1.783,22 3,23 1.701,24 1.645,25 0.131,27 1.136,28 36,29 1.905,30 5,31 4.727,32 0.932,33 2,34 2.736,35 5.109,36 13,37 6.704,38 4.775,39 282.193,40 50,41 1.791,42 6,43 6,44 0.12,45 0.7,46 1.206,47 0.683,48 9,49 0.934,50 12.617,51 5.309,52 3.677,53 16,54 4.087,55 3.692,56 1,57 3.834,58 1.146,60 117.057,61 2.696,62 5.025,63 117.057,64 0.668,65 6.277,66 20.685,67 2.125,68 1.251,69 2,70 2,71 5.4}
{0 CHEMBL225519,2 3.975,3 0.03,7 6.909,8 -0.078,9 0.052,10 4.208,11 0.929,12 0.672,13 0.426,14 113.627,15 1.363,16 119.335,17 1.316,18 7.745,19 1,20 116.382,21 1.306,22 3,23 1.311,24 1.063,25 0.201,27 1.125,28 44.4,29 1.556,30 2,31 4.159,32 0.826,33 1,34 1.578,35 4.31,36 4,37 6.638,38 4.426,39 128.382,40 27,41 1.509,42 3,43 2,44 0.032,45 0.6,46 0.777,47 0.686,48 5,49 0.591,50 4.059,51 4.31,52 3.182,53 12,54 3.7,55 3.176,56 2,57 2.984,58 0.678,59 53.459,60 51.582,61 1.957,62 4.309,63 51.582,64 0.662,65 6.039,66 9.085,67 1,68 0.75,69 1,70 1,71 5.7}
{0 CHEMBL226403,2 9.028,3 0.038,7 6.909,8 -0.041,9 0.054,10 4.63,11 0.857,12 0.663,13 0.617,14 194.477,15 1.773,16 194.161,17 1.609,18 7.745,19 1,20 220.477,21 1.615,22 5,23 1.733,24 1.47,25 0.121,27 1.112,28 50,29 1.938,30 2,31 5.075,32 0.778,33 1,34 1.504,35 5.249,36 5,37 8.423,38 5.09,39 226.477,40 42,41 1.923,42 4,43 2,44 0.044,45 0.6,46 1.209,47 0.715,48 10,49 1.037,50 7.961,51 5.297,52 3.689,53 23,54 4.585,55 3.682,56 3,57 3.737,58 1.107,59 95.423,60 68.367,61 2.713,62 4.822,63 68.367,64 0.69,65 7.161,66 12.759,67 1.582,68 1.164,69 2,70 2,71 5.8}
{0 CHEMBL226471,2 4.26,3 0.049,7 7.571,8 -0.018,9 0.059,10 4.516,11 0.871,12 0.652,13 0.61,14 167.098,15 1.763,16 163.256,17 1.54,18 9.373,19 1,20 186.75,21 1.56,22 4,23 1.726,24 1.354,25 0.139,27 1.123,28 48.6,29 1.871,30 2,31 4.787,32 0.792,33 1,34 1.426,35 5.047,36 5,37 7.865,38 4.851,39 192.75,40 37,41 1.874,42 3,43 2,44 0.025,45 0.6,46 1.11,47 0.702,48 9,49 0.955,50 6.89,51 5.101,52 3.609,53 18,54 4.248,55 3.606,56 3,57 3.616,58 1.088,59 84.713,60 66.542,61 2.591,62 4.677,63 51.582,64 0.684,65 6.699,66 10.938,67 1.402,68 1.096,69 1,70 1,71 5.8}
{0 CHEMBL230011,2 17.142,3 0.188,4 1,7 9.826,8 0.048,9 0.139,10 4.072,11 0.753,12 0.673,13 0.65,14 162.877,15 1.786,16 228.718,17 1.488,18 10.638,20 184.877,21 1.52,22 4,23 1.749,24 1.286,25 0.112,27 1.127,28 45,29 1.923,31 5.165,32 0.682,35 4.622,36 8,37 8.697,38 5.075,39 212.877,40 40,41 1.845,42 6,44 -0.044,45 0.3,46 1.138,47 0.7,48 8,49 0.844,50 7.587,51 4.772,52 3.735,53 23,54 4.585,55 3.712,56 3,57 3.636,58 1.059,60 132.936,61 2.605,62 4.696,63 132.936,64 0.692,65 7.373,66 9.428,67 1.492,68 1.142,69 4,70 4,71 5}
{0 CHEMBL2309006,3 0.07,5 1,7 33.429,8 -0.042,9 0.081,10 4.741,11 0.879,12 0.705,13 0.784,14 256.009,15 1.917,16 141.029,17 1.786,18 22.317,19 2,20 280.009,21 1.791,22 8,23 1.883,24 1.622,25 0.105,27 1.112,28 48.1,29 2.024,30 3,31 6.798,32 0.775,33 2,34 0.278,35 5.185,36 7,37 10.444,38 5.608,39 310.764,40 54,41 1.995,42 3,43 7,44 0.043,45 0.8,46 1.427,47 0.698,48 12,49 1.176,50 20.833,51 5.482,52 3.716,53 25,54 4.7,55 3.698,56 1,57 4.173,58 1.271,59 238.345,60 21.809,61 3.106,62 5.421,63 21.809,64 0.679,65 8.655,66 19.436,67 2.32,68 1.442,71 8.432}
{0 CHEMBL2309609,3 -0.038,5 1,7 44.101,8 -0.151,9 0.023,10 4.82,11 0.997,12 0.692,13 1.045,14 351.835,15 1.907,16 218.704,17 2.003,18 30.079,19 2,20 395.941,21 1.999,22 9,23 1.882,24 1.889,25 0.079,26 1.826,27 1.113,28 47.9,29 2.005,30 2,31 6.891,32 0.863,33 1,34 0.99,35 5.424,36 8,37 10.463,38 5.754,39 451.857,40 73,41 2.019,42 4,43 9,44 0.081,45 0.7,46 1.603,47 0.695,48 23,49 1.166,50 34.924,51 5.775,52 3.858,53 32,54 5.044,55 3.858,56 2,57 4.161,58 1.577,59 428.391,60 24.933,61 3.089,62 5.691,63 24.933,64 0.668,65 8.673,66 28.35,67 2.551,68 1.642,71 7.027}
{0 CHEMBL231209,2 4.161,3 0.13,7 22.779,8 0.065,9 0.101,10 4.362,11 0.726,12 0.639,13 0.693,14 183.193,15 1.808,16 218.615,17 1.562,18 16.513,20 209.722,21 1.595,22 4,23 1.785,24 1.407,25 0.119,27 1.118,28 47.6,29 1.914,31 4.762,32 0.708,35 4.993,36 7,37 7.903,38 5.02,39 226.477,40 42,41 1.868,42 4,44 0.02,45 0.4,46 1.181,47 0.729,48 9,49 0.989,50 7.67,51 5.154,52 3.763,53 23,54 4.585,55 3.773,56 3,57 3.597,58 1.111,59 118.128,60 100.664,61 2.545,62 4.74,63 85.704,64 0.703,65 6.868,66 11.359,67 1.539,68 1.069,69 1,70 1,71 5.8}
{0 CHEMBL231733,1 1,2 22.529,3 -0.142,4 1,5 3,7 39.932,8 -0.382,9 -0.036,10 5.25,11 1.144,12 0.718,13 1.129,14 351.757,15 1.78,16 292.825,17 1.912,18 30.843,19 3,20 380.163,21 1.926,22 6,23 1.744,24 1.731,25 0.082,27 1.133,28 41.8,29 1.949,30 3,31 5.587,32 0.949,33 2,34 2.113,35 5.674,36 11,37 9,38 5.441,39 406.428,40 67,41 1.937,42 10,43 6,44 0.072,45 0.6,46 1.581,47 0.677,48 15,49 1.038,50 15.937,51 5.715,52 3.846,53 32,54 5.044,55 3.851,56 4,57 3.8,58 1.496,59 325.075,60 125.646,61 2.758,62 5.374,63 125.646,64 0.652,65 7.567,66 24.691,67 1.85,68 1.625,69 5,70 5,71 7.276}
{0 CHEMBL231925,1 1,2 18.241,3 -0.17,4 1,5 3,7 39.256,8 -0.378,9 -0.051,10 4.945,11 1.185,12 0.73,13 1.128,14 311.549,15 1.793,16 238.663,17 1.912,18 30.04,19 2,20 343.059,21 1.929,22 6,23 1.746,24 1.779,25 0.089,26 4.072,27 1.139,28 41.3,29 1.991,30 5,31 5.635,32 0.972,33 5,34 3.217,35 5.445,36 11,37 9.037,38 5.386,39 376.569,40 63,41 1.943,42 9,43 7,44 0.074,45 0.8,46 1.515,47 0.671,48 22,49 1.037,50 13.248,51 5.477,52 3.839,53 27,54 4.807,55 3.838,56 4,57 3.815,58 1.513,59 291.151,60 110.16,61 2.736,62 5.4,63 95.2,64 0.651,65 7.57,66 24.21,67 2.13,68 1.517,69 4,70 4,71 5.73}
{0 CHEMBL231948,1 1,2 18.341,3 -0.144,4 1,5 2,7 35.965,8 -0.355,9 -0.036,10 5.133,11 1.175,12 0.707,13 0.99,14 313.104,15 1.78,16 258.262,17 1.876,18 27.566,19 2,20 332.755,21 1.893,22 5,23 1.744,24 1.671,25 0.093,27 1.133,28 41,29 1.917,30 2,31 5.541,32 0.97,33 2,34 0.848,35 5.455,36 10,37 8.985,38 5.329,39 361.775,40 61,41 1.85,42 8,43 6,44 0.068,45 0.8,46 1.539,47 0.669,48 18,49 1.038,50 14.588,51 5.5,52 3.845,53 27,54 4.807,55 3.85,56 3,57 3.8,58 1.49,59 279.255,60 106.962,61 2.758,62 5.255,63 106.962,64 0.645,65 7.551,66 23.41,67 1.849,68 1.579,69 4,70 4,71 7.602}
{0 CHEMBL231949,1 1,2 18.335,3 -0.249,4 1,5 6,7 41.798,8 -0.557,9 -0.084,10 5.04,11 1.368,12 0.743,13 1.028,14 317.549,15 1.791,16 210.647,17 1.847,18 31.004,19 2,20 335.549,21 1.854,22 5,23 1.727,24 1.615,25 0.098,26 4.13,27 1.144,28 36.5,29 1.939,30 5,31 5.568,32 1.091,33 5,34 3.652,35 5.326,36 11,37 8.917,38 5.239,39 376.569,40 63,41 1.908,42 9,43 10,44 0.091,45 0.7,46 1.55,47 0.644,48 22,49 1.03,50 16.136,51 5.326,52 3.629,53 21,54 4.459,55 3.614,56 3,57 3.811,58 1.513,59 269.012,60 95.2,61 2.729,62 5.426,63 95.2,64 0.617,65 7.525,66 27.843,67 2.122,68 1.522,69 4,70 4,71 6.654}
{0 CHEMBL232147,1 1,2 18.277,3 -0.178,4 1,5 3,7 42.759,8 -0.489,9 -0.054,10 4.862,11 1.312,12 0.729,13 1.073,14 320.891,15 1.792,16 212.822,17 1.887,18 31.004,19 2,20 347.156,21 1.895,22 5,23 1.727,24 1.702,25 0.096,26 4.095,27 1.143,28 36.4,29 1.959,30 4,31 5.609,32 1.078,33 4,34 3.055,35 5.26,36 11,37 8.936,38 5.255,39 398.93,40 66,41 1.935,42 9,43 11,44 0.072,45 0.7,46 1.55,47 0.641,48 17,49 1.036,50 15.579,51 5.26,52 3.632,53 21,54 4.459,55 3.619,56 3,57 4.065,58 1.513,59 278.463,60 95.2,61 2.94,62 5.563,63 95.2,64 0.612,65 7.539,66 28.75,67 2.126,68 1.517,69 4,70 4,71 6.68}
{0 CHEMBL232149,1 1,2 18.37,3 -0.212,4 1,5 3,7 49.358,8 -0.521,9 -0.07,10 4.651,11 1.321,12 0.735,13 1.028,14 288.366,15 1.792,16 212.822,17 1.872,18 31.119,19 2,20 306.366,21 1.873,22 5,23 1.727,24 1.672,25 0.101,26 4.146,27 1.143,28 37.1,29 1.954,30 4,31 5.568,32 1.08,33 4,34 3.181,35 4.941,36 10,37 8.915,38 5.228,39 369.16,40 62,41 1.933,42 9,43 10,44 0.09,45 0.8,46 1.513,47 0.647,48 16,49 1.032,50 15.625,51 4.941,52 3.631,53 21,54 4.459,55 3.616,56 3,57 4.065,58 1.491,59 257.901,60 95.2,61 2.939,62 5.502,63 95.2,64 0.616,65 7.531,66 27.084,67 2.121,68 1.487,69 4,70 4,71 6.491}
{0 CHEMBL2322134,2 9.069,3 -0.059,7 2.941,8 -0.248,9 0.012,10 3.794,11 1.1,12 0.708,13 0.559,14 129,15 1.475,16 109.266,17 1.551,18 4.851,19 2,20 143.464,21 1.556,22 4,23 1.41,24 1.354,25 0.161,27 1.132,28 41.2,29 1.698,30 5,31 4.754,32 0.962,34 6.587,35 4.22,36 4,37 7.902,38 4.784,39 172.974,40 34,41 1.645,42 4,43 6,44 0.091,45 0.8,46 0.996,47 0.664,48 1,49 0.825,50 8.238,51 4.44,52 3.495,53 14,54 3.907,55 3.482,56 2,57 3.298,58 0.852,59 94.302,60 51.643,61 2.252,62 4.753,63 51.643,64 0.625,65 7.028,66 14.535,67 1,68 1.013,69 2,70 2,71 5.553}
{0 CHEMBL2322135,2 8.812,3 0.06,7 2.941,8 0.058,9 0.065,10 3.912,11 0.984,12 0.667,13 0.558,14 133,15 1.478,16 118.903,17 1.616,18 4.851,19 2,20 145.464,21 1.652,22 4,23 1.409,24 1.348,25 0.161,27 1.132,28 41.2,29 1.699,30 5,31 4.754,32 0.911,34 6.625,35 4.278,36 4,37 7.902,38 4.784,39 172.974,40 34,41 1.646,42 4,43 6,44 0.076,45 0.8,46 1.097,47 0.664,48 1,49 0.825,50 7.662,51 4.44,52 3.471,53 14,54 3.907,55 3.45,56 2,57 3.301,58 0.785,59 94.302,60 66.897,61 2.26,62 4.75,63 66.897,64 0.625,65 7.028,66 14.302,67 1,68 1.078,69 2,70 2,71 5.377}
{0 CHEMBL2322136,2 9.278,3 -0.013,7 7.359,8 -0.067,9 0.025,10 4.001,11 1.083,12 0.671,13 0.598,14 148.021,15 1.49,16 112.413,17 1.692,18 8.013,19 2,20 160.485,21 1.698,22 4,23 1.423,24 1.433,25 0.156,27 1.132,28 40.5,29 1.717,30 5,31 4.86,32 0.981,34 6.608,35 4.337,36 4,37 7.985,38 4.839,39 192.75,40 37,41 1.688,42 4,43 7,44 0.093,45 0.8,46 1.163,47 0.658,48 4,49 0.844,50 9.948,51 4.486,52 3.514,53 14,54 3.907,55 3.492,56 2,57 3.467,58 0.961,59 101.298,60 52.011,61 2.413,62 4.826,63 52.011,64 0.615,65 7.133,66 16.217,67 1,68 1.122,69 2,70 2,71 6.051}
{0 CHEMBL2322137,2 8.658,3 0.029,7 2.941,8 -0.011,9 0.044,10 3.833,11 1.014,12 0.681,13 0.511,14 126.491,15 1.472,16 107.866,17 1.5,18 4.851,19 1,20 138.955,21 1.537,22 4,23 1.404,24 1.265,25 0.161,27 1.127,28 42.4,29 1.692,30 5,31 4.754,32 0.916,34 6.43,35 4.211,36 4,37 7.902,38 4.784,39 166.465,40 33,41 1.642,42 3,43 6,44 0.089,45 0.8,46 0.966,47 0.668,48 1,49 0.825,50 6.484,51 4.378,52 3.443,53 14,54 3.907,55 3.416,56 2,57 3.316,58 0.785,59 94.302,60 53.168,61 2.295,62 4.69,63 53.168,64 0.635,65 7.028,66 13.507,67 1,68 0.985,69 2,70 2,71 5.796}
{0 CHEMBL2322138,2 8.907,3 -0.059,7 5,8 -0.248,9 0.012,10 3.853,11 1.1,12 0.708,13 0.559,14 131,15 1.478,16 109.695,17 1.594,18 6.325,19 2,20 145.464,21 1.609,22 4,23 1.41,24 1.357,25 0.159,27 1.132,28 41.2,29 1.701,30 5,31 4.754,32 0.962,34 6.612,35 4.278,36 4,37 7.902,38 4.784,39 172.974,40 34,41 1.646,42 4,43 6,44 0.091,45 0.8,46 1.101,47 0.664,48 2,49 0.825,50 8.012,51 4.44,52 3.477,53 14,54 3.907,55 3.457,56 2,57 3.294,58 0.785,59 94.302,60 52.256,61 2.244,62 4.752,63 52.256,64 0.625,65 7.028,66 14.634,67 1,68 1.066,69 2,70 2,71 5.127}
{0 CHEMBL2322139,2 8.003,3 -0.053,7 7.754,8 -0.14,9 0.009,10 4.001,11 1.117,12 0.705,13 0.82,14 148.021,15 1.495,16 111.163,17 1.649,18 8.948,19 2,20 160.485,21 1.686,22 4,23 1.437,24 1.425,25 0.179,27 1.16,28 40.5,29 1.712,30 5,31 5.136,32 0.954,34 4.545,35 4.337,36 7,37 8.214,38 4.902,39 192.75,40 37,41 1.646,42 4,43 7,44 0.039,45 0.8,46 1.121,47 0.653,48 2,49 0.826,50 7.812,51 4.486,52 3.522,53 14,54 3.907,55 3.495,56 2,57 3.595,58 0.794,59 127.491,60 97.136,61 2.438,62 4.857,63 52.256,64 0.647,65 7.263,66 15.002,67 1.148,68 1.208,69 2,70 2,71 4.821}
{0 CHEMBL2322141,2 13.105,3 -0.059,7 2.941,8 -0.166,9 0.005,10 3.712,11 1.111,12 0.708,13 0.568,14 122.491,15 1.409,16 116.33,17 1.528,18 4.851,19 2,20 138.955,21 1.548,22 4,23 1.347,24 1.297,25 0.161,27 1.138,28 39.4,29 1.626,30 5,31 4.754,32 0.959,34 6.467,35 4.211,36 5,37 7.902,38 4.784,39 166.465,40 33,41 1.567,42 5,43 6,44 0.094,45 0.8,46 0.924,47 0.662,48 1,49 0.825,50 7.368,51 4.378,52 3.438,53 14,54 3.907,55 3.411,56 2,57 3.287,58 0.837,59 94.302,60 68.184,61 2.224,62 4.729,63 68.184,64 0.629,65 7.028,66 13.846,67 1,68 0.981,69 3,70 3,71 4.801}
{0 CHEMBL2322142,2 8.653,3 -0.059,7 2.941,8 -0.248,9 0.012,10 3.794,11 1.1,12 0.708,13 0.559,14 129,15 1.485,16 109.266,17 1.544,18 4.851,19 2,20 145.464,21 1.556,22 4,23 1.424,24 1.347,25 0.161,27 1.132,28 41.2,29 1.688,30 5,31 4.754,32 0.962,34 6.699,35 4.278,36 4,37 7.902,38 4.784,39 172.974,40 34,41 1.657,42 4,43 6,44 0.091,45 0.8,46 1.017,47 0.664,48 1,49 0.853,50 8.626,51 4.44,52 3.489,53 14,54 3.907,55 3.474,56 2,57 3.284,58 0.84,59 94.302,60 51.643,61 2.217,62 4.755,63 51.643,64 0.625,65 7.028,66 14.535,67 1,68 1.015,69 2,70 2,71 5.319}
{0 CHEMBL2322143,2 4.451,3 -0.018,7 2.941,8 -0.16,9 0.032,10 3.851,11 1.049,12 0.681,13 0.545,14 134.796,15 1.517,16 102.814,17 1.624,18 4.851,19 2,20 152.015,21 1.605,22 4,23 1.472,24 1.44,25 0.161,27 1.126,28 42.9,29 1.702,30 5,31 4.754,32 0.953,34 6.82,35 4.343,36 3,37 7.902,38 4.784,39 179.525,40 35,41 1.687,42 3,43 6,44 0.089,45 0.8,46 1.107,47 0.667,48 3,49 0.889,50 9.564,51 4.501,52 3.542,53 14,54 3.907,55 3.541,56 2,57 3.302,58 0.852,59 94.302,60 34.858,61 2.263,62 4.779,63 34.858,64 0.621,65 7.028,66 15.104,67 1,68 1.057,69 1,70 1,71 4.699}
{0 CHEMBL2325894,2 8.892,3 -0.056,5 2,7 14.825,8 -0.236,9 0.009,10 4.851,11 1.126,12 0.7,13 0.712,14 208.574,15 1.611,16 174.564,17 1.664,18 16.624,19 1,20 208.574,21 1.668,22 4,23 1.559,24 1.455,25 0.148,26 1.582,27 1.137,28 39.5,29 1.822,30 4,31 4.625,32 0.945,33 2,34 3.076,35 4.851,36 8,37 7.016,38 4.768,39 233.329,40 43,41 1.802,42 6,43 8,44 0.046,45 0.8,46 1.176,47 0.663,48 5,49 0.982,50 9.8,51 4.851,52 3.729,53 13,54 3.807,55 3.727,56 3,57 3.851,58 1.079,59 108.662,60 102.551,61 2.831,62 4.817,63 102.551,64 0.645,65 6.53,66 15.945,67 1.801,68 1.23,69 2,70 2,71 5.051}
{0 CHEMBL2325895,2 9.003,3 -0.048,5 2,7 14.825,8 -0.208,9 0.008,10 4.676,11 1.177,12 0.679,13 0.827,14 243.139,15 1.746,16 192.215,17 1.73,18 16.624,19 1,20 243.139,21 1.752,22 4,23 1.69,24 1.534,25 0.133,26 1.629,27 1.137,28 38.5,29 1.929,30 4,31 4.787,32 1.015,33 2,34 3.042,35 4.676,36 8,37 7.111,38 4.817,39 296.423,40 52,41 1.86,42 6,43 11,44 0.051,45 1,46 1.417,47 0.65,48 5,49 1.012,50 14.015,51 4.676,52 3.73,53 13,54 3.807,55 3.733,56 3,57 3.851,58 1.417,59 126.118,60 102.551,61 2.836,62 5.289,63 102.551,64 0.621,65 6.576,66 21.057,67 1.806,68 1.353,69 2,70 2,71 9.421}
{0 CHEMBL2325896,2 9,3 -0.022,5 2,7 14.825,8 -0.181,9 0.03,10 4.746,11 1.091,12 0.704,13 0.779,14 223.066,15 1.596,16 170.808,17 1.626,18 16.624,19 1,20 231.066,21 1.634,22 5,23 1.551,24 1.433,25 0.133,26 1.664,27 1.134,28 40.4,29 1.792,30 6,31 4.852,32 0.93,33 2,34 5.015,35 4.916,36 8,37 7.128,38 4.817,39 261.066,40 47,41 1.73,42 6,43 10,44 0.055,45 1,46 1.407,47 0.665,48 5,49 1.007,50 11.416,51 4.916,52 3.731,53 13,54 3.807,55 3.735,56 4,57 3.851,58 1.15,59 119.224,60 102.551,61 2.834,62 4.931,63 102.551,64 0.644,65 6.575,66 17.745,67 1.807,68 1.376,69 2,70 2,71 6.686}
{0 CHEMBL2325897,2 9.027,3 -0.021,5 2,7 17.194,8 -0.174,9 0.029,10 4.739,11 1.109,12 0.696,13 0.818,14 236.974,15 1.638,16 173.343,17 1.713,18 18.298,19 1,20 256.193,21 1.735,22 5,23 1.586,24 1.506,25 0.129,26 1.72,27 1.135,28 40,29 1.812,30 7,31 4.883,32 0.954,33 2,34 5.845,35 5.124,36 8,37 7.134,38 4.825,39 282.193,40 50,41 1.797,42 6,43 11,44 0.057,45 1,46 1.513,47 0.661,48 5,49 1.01,50 12.85,51 5.124,52 3.731,53 13,54 3.807,55 3.736,56 4,57 3.849,58 1.407,59 122.944,60 102.551,61 2.832,62 5.047,63 102.551,64 0.635,65 6.584,66 19.821,67 1.931,68 1.376,69 2,70 2,71 9.523}
{0 CHEMBL2325898,2 9.027,3 -0.021,5 2,7 17.194,8 -0.174,9 0.029,10 4.739,11 1.109,12 0.696,13 0.818,14 236.974,15 1.638,16 173.343,17 1.713,18 18.298,19 1,20 256.193,21 1.735,22 5,23 1.586,24 1.506,25 0.129,26 1.72,27 1.135,28 40,29 1.812,30 7,31 4.883,32 0.954,33 2,34 5.845,35 5.124,36 8,37 7.134,38 4.825,39 282.193,40 50,41 1.797,42 6,43 11,44 0.057,45 1,46 1.513,47 0.661,48 5,49 1.01,50 12.85,51 5.124,52 3.731,53 13,54 3.807,55 3.736,56 4,57 3.849,58 1.407,59 122.944,60 102.551,61 2.832,62 5.047,63 102.551,64 0.635,65 6.584,66 19.821,67 1.931,68 1.376,69 2,70 2,71 6.493}
{0 CHEMBL2325899,2 8.977,3 -0.025,7 13.633,8 -0.162,9 0.019,10 4.309,11 1.18,12 0.663,13 0.62,14 172.348,15 1.525,16 132.513,17 1.557,18 12.37,19 1,20 180.612,21 1.526,22 3,23 1.478,24 1.27,25 0.164,27 1.138,28 37.5,29 1.722,30 2,31 4.407,32 1.05,34 2.354,35 4.515,36 5,37 6.854,38 4.56,39 212.877,40 40,41 1.674,42 4,43 8,44 0.05,45 1,46 1.413,47 0.639,48 1,49 0.825,50 7.509,51 4.515,52 3.61,53 11,54 3.585,55 3.62,56 2,57 3.635,58 1.137,59 79.076,60 68.367,61 2.592,62 4.87,63 68.367,64 0.6,65 6.478,66 16.733,67 1.186,68 1.239,69 2,70 2,71 7.487}
{0 CHEMBL2325900,2 9.005,3 0.013,7 13.633,8 -0.117,9 0.049,10 4.386,11 1.088,12 0.688,13 0.611,14 166.666,15 1.474,16 119.932,17 1.429,18 12.37,19 1,20 174.666,21 1.408,22 4,23 1.419,24 1.229,25 0.157,27 1.134,28 39.5,29 1.675,30 4,31 4.477,32 0.966,34 4.817,35 4.596,36 5,37 6.913,38 4.581,39 199.421,40 38,41 1.627,42 4,43 8,44 0.062,45 1,46 1.321,47 0.653,48 1,49 0.825,50 6.936,51 4.596,52 3.729,53 11,54 3.585,55 3.734,56 3,57 3.822,58 1.112,59 78.001,60 68.367,61 2.806,62 4.689,63 68.367,64 0.618,65 6.488,66 15.476,67 1.186,68 1.18,69 2,70 2,71 7.65}
{0 CHEMBL2325901,2 8.898,3 -0.027,7 13.633,8 -0.183,9 0.022,10 4.278,11 1.134,12 0.681,13 0.544,14 145.464,15 1.484,16 123.688,17 1.429,18 12.37,19 1,20 145.464,21 1.413,22 3,23 1.428,24 1.23,25 0.18,27 1.138,28 38.2,29 1.688,30 2,31 4.304,32 0.99,34 2.357,35 4.278,36 5,37 6.773,38 4.518,39 172.974,40 34,41 1.631,42 4,43 6,44 0.048,45 0.8,46 1.114,47 0.648,48 1,49 0.825,50 6.23,51 4.278,52 3.474,53 11,54 3.585,55 3.477,56 2,57 3.409,58 0.95,59 67.439,60 68.367,61 2.352,62 4.547,63 68.367,64 0.617,65 6.457,66 13.636,67 0.684,68 1.151,69 2,70 2,71 6.974}
{0 CHEMBL2325902,2 8.944,3 -0.026,7 13.633,8 -0.172,9 0.02,10 4.317,11 1.158,12 0.671,13 0.582,14 159.73,15 1.509,16 126.223,17 1.52,18 12.37,19 1,20 171.24,21 1.485,22 3,23 1.459,24 1.242,25 0.172,27 1.138,28 37.8,29 1.707,30 3,31 4.357,32 1.022,34 3.269,35 4.628,36 5,37 6.814,38 4.539,39 192.75,40 37,41 1.653,42 4,43 7,44 0.05,45 1,46 1.151,47 0.643,48 1,49 0.825,50 6.859,51 4.628,52 3.54,53 11,54 3.585,55 3.548,56 2,57 3.446,58 1.029,59 73.258,60 68.367,61 2.387,62 4.661,63 68.367,64 0.608,65 6.468,66 15.204,67 0.708,68 1.158,69 2,70 2,71 7.354}
{0 CHEMBL2325903,2 9.008,3 -0.024,7 13.633,8 -0.154,9 0.018,10 4.083,11 1.198,12 0.655,13 0.659,14 175.555,15 1.534,16 141.338,17 1.574,18 12.37,19 1,20 185.29,21 1.546,22 3,23 1.489,24 1.29,25 0.158,27 1.138,28 37.2,29 1.733,30 2,31 4.454,32 1.075,34 2.348,35 4.309,36 5,37 6.893,38 4.581,39 233.329,40 43,41 1.688,42 4,43 9,44 0.051,45 1,46 1.417,47 0.636,48 1,49 0.825,50 8.174,51 4.309,52 3.677,53 11,54 3.585,55 3.687,56 2,57 3.851,58 1.413,59 84.895,60 68.367,61 2.836,62 5.124,63 68.367,64 0.594,65 6.489,66 18.224,67 1.186,68 1.239,69 2,70 2,71 5.261}
{0 CHEMBL2325904,2 8.897,3 0.014,7 14.534,8 -0.137,9 0.038,10 4.369,11 1.159,12 0.667,13 0.629,14 179.13,15 1.523,16 132.513,17 1.556,18 13.837,19 1,20 187.395,21 1.529,22 3,23 1.478,24 1.268,25 0.159,27 1.14,28 36.6,29 1.721,30 2,31 4.454,32 1.024,34 2.281,35 4.571,36 6,37 6.893,38 4.581,39 219.66,40 41,41 1.669,42 4,43 8,44 0.027,45 1,46 1.413,47 0.635,48 1,49 0.825,50 7.465,51 4.571,52 3.618,53 11,54 3.585,55 3.617,56 2,57 3.851,58 1.137,59 84.895,60 68.367,61 2.834,62 4.965,63 68.367,64 0.603,65 6.489,66 16.898,67 1.186,68 1.239,69 2,70 2,71 4.523}
{0 CHEMBL2325905,2 8.897,3 0.014,7 14.534,8 -0.137,9 0.038,10 4.369,11 1.159,12 0.667,13 0.629,14 179.13,15 1.523,16 132.513,17 1.556,18 13.837,19 1,20 187.395,21 1.529,22 3,23 1.478,24 1.268,25 0.159,27 1.14,28 36.6,29 1.721,30 2,31 4.454,32 1.024,34 2.281,35 4.571,36 6,37 6.893,38 4.581,39 219.66,40 41,41 1.669,42 4,43 8,44 0.027,45 1,46 1.413,47 0.635,48 1,49 0.825,50 7.465,51 4.571,52 3.618,53 11,54 3.585,55 3.617,56 2,57 3.851,58 1.137,59 84.895,60 68.367,61 2.834,62 4.965,63 68.367,64 0.603,65 6.489,66 16.898,67 1.186,68 1.239,69 2,70 2,71 7.367}
{0 CHEMBL2325906,2 8.927,3 -0.021,7 14.498,8 -0.148,9 0.018,10 4.369,11 1.129,12 0.659,13 0.648,14 179.13,15 1.531,16 180.174,17 1.562,18 14.512,19 1,20 187.395,21 1.536,22 3,23 1.487,24 1.282,25 0.18,27 1.137,28 39,29 1.725,30 2,31 4.489,32 0.994,34 2.277,35 4.571,36 6,37 6.976,38 4.669,39 219.66,40 41,41 1.674,42 5,43 8,44 0.04,45 0.8,46 1.413,47 0.654,48 1,49 0.825,50 7.299,51 4.571,52 3.685,53 12,54 3.7,55 3.687,56 2,57 3.852,58 1.139,59 90.955,60 99.427,61 2.836,62 4.963,63 99.427,64 0.622,65 6.502,66 16.126,67 1.681,68 1.239,69 2,70 2,71 5.848}
{0 CHEMBL2325907,2 9.1,3 0.01,7 13.633,8 -0.102,9 0.043,10 4.133,11 1.153,12 0.663,13 0.727,14 194.253,15 1.581,16 127.536,17 1.657,18 12.37,19 1,20 218.801,21 1.648,22 4,23 1.53,24 1.435,25 0.139,27 1.135,28 38.3,29 1.796,30 7,31 4.585,32 1.045,34 8.721,35 4.655,36 5,37 6.958,38 4.641,39 261.066,40 47,41 1.792,42 4,43 11,44 0.063,45 1,46 1.413,47 0.64,48 1,49 1.007,50 11.241,51 4.773,52 3.729,53 11,54 3.585,55 3.735,56 3,57 3.756,58 1.396,59 92.314,60 68.367,61 2.729,62 5.1,63 68.367,64 0.597,65 6.506,66 20.696,67 1.189,68 1.376,69 2,70 2,71 6.45}
{0 CHEMBL2325908,2 8.87,3 -0.103,5 2,7 11.46,8 -0.32,9 -0.019,10 4.571,11 1.241,12 0.693,13 0.651,14 187.395,15 1.516,16 139.485,17 1.635,18 13.817,19 1,20 187.395,21 1.618,22 3,23 1.464,24 1.358,25 0.159,26 1.45,27 1.142,28 36.6,29 1.741,30 2,31 4.477,32 1.042,34 2.251,35 4.571,36 7,37 6.949,38 4.641,39 219.66,40 41,41 1.722,42 5,43 7,44 0.048,45 1,46 1.413,47 0.641,48 7,49 0.825,50 9.771,51 4.571,52 3.561,53 12,54 3.7,55 3.537,56 2,57 3.802,58 1.162,59 91.195,60 71.492,61 2.762,62 4.82,63 71.492,64 0.615,65 6.498,66 16.71,67 1.683,68 1.239,69 2,70 2,71 6.636}
{0 CHEMBL2325909,2 8.97,3 -0.054,5 2,7 14.996,8 -0.233,9 0.01,10 4.502,11 1.204,12 0.69,13 0.761,14 216.104,15 1.624,16 134.507,17 1.672,18 16.979,19 1,20 231.323,21 1.68,22 4,23 1.571,24 1.466,25 0.137,26 1.842,27 1.138,28 37.5,29 1.84,30 7,31 4.625,32 1.038,33 2,34 7.066,35 4.819,36 7,37 6.998,38 4.715,39 268.078,40 48,41 1.819,42 5,43 10,44 0.059,45 1,46 1.413,47 0.641,48 5,49 0.994,50 11.822,51 4.819,52 3.704,53 12,54 3.7,55 3.702,56 3,57 3.835,58 1.356,59 105.234,60 71.492,61 2.801,62 5.023,63 71.492,64 0.61,65 6.525,66 20.55,67 1.683,68 1.376,69 2,70 2,71 6.91}
{0 CHEMBL2325910,2 8.947,3 -0.057,5 2,7 14.996,8 -0.244,9 0.01,10 4.542,11 1.188,12 0.698,13 0.723,14 204.379,15 1.577,16 131.972,17 1.712,18 16.979,19 1,20 212.379,21 1.736,22 4,23 1.507,24 1.507,25 0.142,26 1.811,27 1.138,28 37.8,29 1.793,30 6,31 4.585,32 1.015,33 2,34 5.897,35 4.72,36 7,37 6.993,38 4.706,39 247.133,40 45,41 1.841,42 5,43 9,44 0.059,45 1,46 1.413,47 0.645,48 5,49 1.01,50 11.125,51 4.72,52 3.7,53 12,54 3.7,55 3.694,56 3,57 3.837,58 1.161,59 100.213,60 71.492,61 2.804,62 4.884,63 71.492,64 0.617,65 6.516,66 18.926,67 1.683,68 1.376,69 2,70 2,71 6.915}
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{0 CHEMBL41783,2 11.751,3 -0.049,5 1,7 18.855,8 -0.072,9 -0.01,10 4.698,11 1.12,12 0.654,13 0.836,14 206.705,15 1.688,16 185.165,17 1.732,18 15.19,19 1,20 216.705,21 1.77,22 3,23 1.633,24 1.456,25 0.129,26 1.994,27 1.154,28 38.6,29 1.834,30 3,31 4.762,32 0.967,33 1,34 1.86,35 4.925,36 9,37 7.997,38 4.855,39 240.215,40 44,41 1.792,42 6,43 5,44 0.035,45 0.8,46 1.268,47 0.652,48 12,49 0.903,50 7.882,51 4.925,52 3.567,53 17,54 4.17,55 3.565,56 2,57 3.408,58 1.089,59 107.254,60 117.707,61 2.383,62 4.972,63 87.787,64 0.643,65 6.903,66 15.723,67 1.537,68 1.239,69 3,70 3,71 5.8}
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{0 CHEMBL428690,3 0.08,7 26.694,8 0.009,9 0.069,10 4.911,11 0.899,12 0.643,13 0.625,14 235.714,15 1.734,16 103.802,17 1.569,18 20.975,20 253.323,21 1.574,22 4,23 1.693,24 1.403,25 0.12,26 1.992,27 1.118,28 43.8,29 1.89,30 3,31 5.247,32 0.837,33 2,34 1.726,35 5.278,36 7,37 7.706,38 4.894,39 268.078,40 48,41 1.869,42 1,43 6,44 -0.008,45 0.8,46 1.176,47 0.682,48 14,49 1.029,50 12.641,51 5.361,52 3.633,53 14,54 3.907,55 3.627,56 3,57 3.805,58 1.124,60 3.124,61 2.725,62 5.169,63 3.124,64 0.66,65 6.695,66 16.568,67 2.142,68 1.173,71 5.13}
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{0 CHEMBL451964,1 1,2 12.459,3 -0.007,7 21.654,8 -0.018,9 0.015,10 4.15,11 0.987,12 0.674,13 0.814,14 145.26,15 1.266,16 151.592,17 1.452,18 13.942,19 1,20 156.77,21 1.498,22 4,23 1.223,24 1.235,25 0.172,27 1.16,28 42.9,29 1.495,30 2,31 4.828,32 0.857,34 2.237,35 4.479,36 8,37 8.019,38 4.819,39 179.525,40 35,41 1.513,42 5,43 4,44 0.036,45 0.5,46 0.995,47 0.676,48 7,49 0.825,50 5.024,51 4.479,52 3.698,53 16,54 4.087,55 3.692,56 3,57 3.698,58 0.935,59 91.324,60 114.044,61 2.632,62 4.593,63 69.164,64 0.683,65 6.94,66 10.283,67 1.158,68 1.062,69 3,70 3,71 5.8}
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{0 CHEMBL481491,2 4.299,3 0.04,5 1,7 21.755,8 -0.033,9 0.045,10 4.327,11 0.846,12 0.655,13 0.844,14 186.045,15 1.559,16 180.734,17 1.678,18 19.58,19 1,20 212.574,21 1.696,22 4,23 1.545,24 1.519,25 0.14,27 1.134,28 46.5,29 1.715,30 1,31 4.984,32 0.777,33 1,34 -0.35,35 4.944,36 9,37 8.037,38 5.086,39 233.329,40 43,41 1.652,42 3,43 2,44 0.023,45 0.4,46 1.205,47 0.714,48 11,49 0.753,50 6.35,51 5.223,52 3.773,53 22,54 4.524,55 3.819,56 3,57 3.891,58 1.089,59 120.136,60 96.462,61 2.769,62 4.801,63 51.582,64 0.71,65 6.975,66 11.407,67 1.547,68 1.252,69 1,70 1,71 5.8}
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{0 CHEMBL481985,2 3.961,3 0.081,7 5.323,8 0.23,9 0.107,10 4.082,11 1.046,12 0.607,13 0.562,14 146.956,15 1.593,16 157.249,17 1.642,18 6.897,19 1,20 164.608,21 1.69,22 3,23 1.575,24 1.351,25 0.228,27 1.12,28 41.7,29 1.765,30 1,31 4.477,32 0.83,33 1,34 0.101,35 4.572,36 6,37 8.035,38 4.851,39 186.117,40 36,41 1.778,42 3,43 2,44 0.202,45 0.6,46 1.068,47 0.698,48 9,49 0.934,50 8.036,51 4.649,52 3.57,53 18,54 4.248,55 3.612,56 2,57 3.705,58 1.044,59 85.383,60 66.223,61 2.661,62 4.658,63 66.223,64 0.662,65 6.879,66 14.453,67 1,68 1.062,69 1,70 1,71 6.102}
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{0 CHEMBL482767,1 1,2 12.786,3 0.066,5 1,7 35.147,8 -0.097,9 0.048,10 5.017,11 0.746,12 0.679,13 0.706,14 215.72,15 1.618,16 199.336,17 1.642,18 23.036,20 229.329,21 1.684,22 4,23 1.585,24 1.405,25 0.115,27 1.118,28 41.9,29 1.775,30 2,31 4.431,32 0.729,33 1,34 1.479,35 5.333,36 10,37 6.821,38 4.943,39 233.329,40 43,41 1.758,42 6,43 2,44 0.019,45 0.4,46 1.134,47 0.755,48 7,49 0.904,50 7.339,51 5.333,52 3.768,53 22,54 4.524,55 3.824,56 3,57 3.581,58 1.057,59 129.119,60 104.389,61 2.381,62 4.685,63 104.389,64 0.713,65 6.28,66 11.899,67 1.548,68 1.183,69 3,70 3,71 5.7}
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{0 CHEMBL483158,1 1,2 9.133,3 -0.02,4 1,5 1,7 47.196,8 -0.095,9 0.019,10 4.885,11 0.925,12 0.662,13 0.856,14 278.436,15 1.857,16 236.688,17 1.831,18 32.111,19 1,20 308.965,21 1.834,22 5,23 1.837,24 1.7,25 0.088,27 1.12,28 47.4,29 1.952,30 1,31 5.545,32 0.809,33 1,34 0.204,35 5.42,36 10,37 8.697,38 5.301,39 332.475,40 57,41 1.938,42 4,43 3,44 0.011,45 0.3,46 1.418,47 0.71,48 17,49 1.067,50 13.657,51 5.526,52 3.796,53 26,54 4.755,55 3.791,56 3,57 3.965,58 1.25,60 83.327,61 2.906,62 5.165,63 68.367,64 0.7,65 7.301,66 16.32,67 2.535,68 1.5,69 2,70 2,71 5.7}
{0 CHEMBL483321,1 1,2 13.105,3 -0.076,5 1,7 35.961,8 -0.171,9 -0.009,10 5.143,11 1.106,12 0.65,13 0.9,14 318.896,15 1.81,16 268.159,17 1.849,18 26.984,19 1,20 348.896,21 1.867,22 4,23 1.775,24 1.64,25 0.095,27 1.124,28 43.5,29 1.936,30 2,31 4.997,32 0.952,33 2,34 0.467,35 5.627,36 8,37 8.171,38 5.121,39 369.16,40 62,41 1.938,42 5,43 5,44 0.051,45 0.6,46 1.52,47 0.674,48 17,49 0.994,50 15.156,51 5.66,52 3.739,53 25,54 4.7,55 3.735,56 3,57 3.542,58 1.48,60 86.378,61 2.468,62 5.189,63 86.378,64 0.646,65 7.001,66 22.644,67 2.038,68 1.431,69 3,70 3,71 5}
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{0 CHEMBL485556,2 4.593,3 -0.018,5 2,7 28.086,8 -0.132,9 0.018,10 4.765,11 1.089,12 0.65,13 0.96,14 300.188,15 1.87,16 241.85,17 1.863,18 24.946,19 1,20 330.304,21 1.873,22 4,23 1.822,24 1.654,25 0.107,26 1.673,27 1.13,28 41.3,29 2.002,30 7,31 5.17,32 0.962,33 1,34 5.486,35 5.243,36 9,37 7.934,38 5.087,39 376.569,40 63,41 2.007,42 6,43 9,44 0.033,45 0.8,46 1.484,47 0.663,48 12,49 1.084,50 17.008,51 5.33,52 3.762,53 20,54 4.392,55 3.771,56 3,57 3.816,58 1.473,59 157.989,60 103.776,61 2.817,62 5.377,63 103.776,64 0.636,65 7.037,66 23.931,67 2.231,68 1.415,69 1,70 1,71 5.8}
{0 CHEMBL49120,1 1,2 8.981,3 -0.095,4 1,5 2,7 46.515,8 -0.27,9 -0.029,10 4.802,11 1.027,12 0.664,13 0.899,14 297.734,15 1.773,16 213.134,17 1.884,18 32.546,19 1,20 316.896,21 1.88,22 4,23 1.743,24 1.695,25 0.099,26 3.788,27 1.125,28 41.9,29 1.936,30 4,31 5.176,32 0.936,33 4,34 3.545,35 5.111,36 9,37 8.056,38 5.07,39 369.16,40 62,41 1.943,42 5,43 7,44 0.026,45 0.7,46 1.58,47 0.69,48 19,49 1.065,50 15.394,51 5.111,52 3.724,53 20,54 4.392,55 3.714,56 3,57 3.652,58 1.403,60 57.83,61 2.571,62 5.247,63 57.83,64 0.653,65 6.841,66 23.831,67 2.172,68 1.555,69 2,70 2,71 7.4}
{0 CHEMBL491473,2 8.596,3 -0.113,5 1,7 29.075,8 -0.195,9 -0.017,10 4.859,11 1.191,12 0.682,13 0.944,14 291.52,15 1.663,16 189.559,17 1.799,18 25.689,19 1,20 313.394,21 1.793,22 5,23 1.595,24 1.606,25 0.093,26 2.461,27 1.132,28 41.7,29 1.893,30 7,31 5.182,32 1,33 4,34 7.491,35 5.223,36 8,37 8.307,38 5.18,39 354.413,40 60,41 1.901,42 4,43 9,44 0.072,45 0.8,46 1.589,47 0.658,48 16,49 1.165,50 14.538,51 5.315,52 3.691,53 21,54 4.459,55 3.693,56 3,57 3.597,58 1.369,59 134.209,60 68.441,61 2.455,62 5.231,63 53.481,64 0.632,65 7.209,66 24.914,67 2.005,68 1.559,69 2,70 2,71 5.35}
{0 CHEMBL491758,1 2,2 8.093,3 -0.01,4 1,7 35.377,8 -0.108,9 0.023,10 3.301,11 0.926,12 0.655,13 0.593,14 112.245,15 1.685,16 192.264,17 1.293,18 18.93,19 2,20 131.464,21 1.311,22 3,23 1.642,24 1.049,25 0.139,27 1.13,28 47.1,29 1.84,31 4.174,32 0.824,35 3.867,36 5,37 7.029,38 4.582,39 172.974,40 34,41 1.749,42 4,44 0.024,45 0.6,46 1.167,47 0.699,48 10,49 0.73,50 4.647,51 4.382,52 3.631,53 18,54 4.248,55 3.603,56 3,57 3.385,58 0.851,60 84.553,61 2.337,62 4.453,63 69.593,64 0.679,65 5.957,66 9.217,67 1,68 1.062,69 2,70 2,71 7.8}
{0 CHEMBL493169,1 1,2 12.505,3 -0.016,7 34.154,8 -0.049,9 0.016,10 4.49,11 1.068,12 0.673,13 0.921,14 193.065,15 1.748,16 173.814,17 1.435,18 20.266,19 1,20 208.574,21 1.515,22 4,23 1.691,24 1.233,25 0.154,27 1.161,28 39.5,29 1.919,30 4,31 4.942,32 0.927,33 2,34 3.87,35 4.851,36 9,37 8.05,38 4.867,39 233.329,40 43,41 1.864,42 6,43 6,44 0.037,45 0.8,46 1.203,47 0.655,48 11,49 0.934,50 6.994,51 4.851,52 3.654,53 16,54 4.087,55 3.651,56 3,57 3.603,58 1.022,59 99.532,60 132.055,61 2.518,62 4.99,63 87.174,64 0.65,65 6.956,66 15.929,67 1.454,68 1.35,69 3,70 3,71 5.398}
{0 CHEMBL494089,2 16.786,3 -0.023,5 4,7 27.057,8 -0.13,9 0.009,10 4.857,11 1.172,12 0.685,13 0.894,14 281.724,15 1.687,16 230.835,17 1.789,18 25.311,19 1,20 303.498,21 1.793,22 4,23 1.642,24 1.598,25 0.112,27 1.143,28 36.2,29 1.871,30 6,31 5.288,32 1.013,33 4,34 5.417,35 5.233,36 10,37 8.432,38 5.069,39 339.763,40 58,41 1.883,42 7,43 11,44 0.055,45 0.8,46 1.417,47 0.638,48 8,49 1.001,50 13.487,51 5.233,52 3.616,53 16,54 4.087,55 3.599,56 3,57 3.848,58 1.384,59 126.052,60 125.571,61 2.763,62 5.256,63 125.571,64 0.613,65 7.342,66 24.179,67 1.667,68 1.477,69 4,70 4,71 5}
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{0 CHEMBL513909,1 1,2 9.424,3 -0.128,4 1,5 1,7 69.22,8 -0.336,9 -0.029,10 4.954,11 1.322,12 0.691,13 1.179,14 381.465,15 1.815,16 202.475,17 1.793,18 41.796,19 1,20 421.523,21 1.774,22 5,23 1.755,24 1.579,25 0.094,26 6.183,27 1.14,28 36.4,29 1.976,30 9,31 5.366,32 1.127,33 2,34 9.06,35 5.474,36 10,37 7.645,38 4.98,39 482.543,40 77,41 1.967,42 7,43 16,44 0.075,45 0.9,46 1.61,47 0.631,48 19,49 1.211,50 24.641,51 5.474,52 3.69,53 14,54 3.907,55 3.689,56 4,57 3.685,58 1.571,60 78.966,61 2.606,62 5.678,63 78.966,64 0.594,65 6.639,66 35.32,67 2.306,68 1.622,69 2,70 2,71 5}
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{0 CHEMBL520947,2 4.106,3 -0.042,7 13.814,8 0.005,9 0.057,10 4.208,11 1.183,12 0.65,13 0.696,14 180.923,15 1.674,16 162.439,17 1.694,18 13.108,19 1,20 198.574,21 1.746,22 4,23 1.631,24 1.397,25 0.169,26 1.462,27 1.127,28 39.5,29 1.851,30 4,31 4.736,32 0.891,33 4,34 1.647,35 4.618,36 8,37 8.112,38 4.948,39 233.329,40 43,41 1.855,42 4,43 4,44 0.211,45 0.8,46 1.166,47 0.683,48 15,49 1.023,50 10.318,51 4.682,52 3.606,53 18,54 4.248,55 3.62,56 3,57 3.719,58 1.071,59 107.132,60 67.742,61 2.699,62 4.953,63 67.742,64 0.654,65 6.934,66 17.127,67 1.304,68 1.176,69 1,70 1,71 6.481}
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{0 CHEMBL568866,2 17.773,3 -0.128,7 26.354,8 -0.308,9 -0.037,10 4.853,11 1.273,12 0.692,13 0.937,14 281.498,15 1.721,16 203.69,17 1.836,18 23.326,19 1,20 297.498,21 1.827,22 4,23 1.673,24 1.616,25 0.116,26 4.077,27 1.144,28 36.2,29 1.907,30 6,31 5.075,32 1.082,33 4,34 4.867,35 5.129,36 9,37 8.008,38 4.983,39 339.763,40 58,41 1.902,42 8,43 10,44 0.073,45 0.8,46 1.484,47 0.64,48 9,49 1.062,50 18.465,51 5.129,52 3.607,53 17,54 4.17,55 3.59,56 3,57 3.731,58 1.445,59 118.985,60 107.329,61 2.618,62 5.313,63 107.329,64 0.606,65 6.997,66 24.933,67 1.922,68 1.447,69 4,70 4,71 6.585}
{0 CHEMBL569012,1 1,2 17.169,3 0.004,7 18.989,8 -0.106,9 0.028,10 4.683,11 0.848,12 0.69,13 0.666,14 182.621,15 1.726,16 223.768,17 1.598,18 14.476,19 1,20 194.131,21 1.627,22 4,23 1.673,24 1.376,25 0.117,27 1.131,28 43.6,29 1.893,30 1,31 4.727,32 0.767,33 1,34 0.621,35 4.978,36 8,37 7.887,38 4.981,39 206.131,40 39,41 1.816,42 7,43 1,44 0.012,45 0.4,46 1.097,47 0.716,48 8,49 0.824,50 6.985,51 4.978,52 3.626,53 22,54 4.524,55 3.6,56 3,57 3.526,58 1.018,59 97.036,60 119.091,61 2.443,62 4.678,63 119.091,64 0.694,65 6.862,66 10.281,67 1.374,68 1.062,69 4,70 4,71 5.824}
{0 CHEMBL569091,2 17.663,3 -0.123,7 24.883,8 -0.296,9 -0.036,10 4.68,11 1.281,12 0.685,13 0.975,14 285.51,15 1.725,16 206.225,17 1.846,18 20.901,19 1,20 308.755,21 1.847,22 4,23 1.666,24 1.662,25 0.112,26 4.202,27 1.144,28 36.1,29 1.936,30 8,31 5.05,32 1.098,33 4,34 7.013,35 5.062,36 9,37 7.92,38 4.965,39 361.775,40 61,41 1.926,42 8,43 11,44 0.072,45 1,46 1.469,47 0.637,48 10,49 1.09,50 21.089,51 5.152,52 3.605,53 17,54 4.17,55 3.587,56 3,57 3.727,58 1.413,59 125.378,60 107.329,61 2.606,62 5.354,63 107.329,64 0.601,65 6.907,66 26.443,67 1.638,68 1.501,69 4,70 4,71 5.721}
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{0 CHEMBL569720,1 2,2 20.666,3 -0.093,5 2,7 42.382,8 -0.23,9 -0.018,10 4.767,11 1.119,12 0.692,13 0.786,14 200.213,15 1.588,16 264.9,17 1.662,18 26.422,19 2,20 206.213,21 1.662,22 3,23 1.534,24 1.432,25 0.145,27 1.154,28 38.1,29 1.787,31 4.466,32 0.92,35 4.91,36 10,37 7.269,38 4.815,39 226.477,40 42,41 1.79,42 9,43 4,44 0.028,45 0.8,46 1.152,47 0.667,48 2,49 0.866,50 8.005,51 4.91,52 3.663,53 18,54 4.248,55 3.635,56 3,57 3.633,58 1.057,60 182.509,61 2.55,62 4.801,63 167.549,64 0.659,65 6.221,66 13.662,67 1.804,68 1.195,69 5,70 5,71 7.06}
{0 CHEMBL569721,1 2,2 20.666,3 -0.093,5 2,7 42.382,8 -0.23,9 -0.018,10 4.767,11 1.119,12 0.692,13 0.786,14 200.213,15 1.588,16 264.9,17 1.662,18 26.422,19 2,20 206.213,21 1.662,22 3,23 1.534,24 1.432,25 0.145,27 1.154,28 38.1,29 1.787,31 4.466,32 0.92,35 4.91,36 10,37 7.269,38 4.815,39 226.477,40 42,41 1.79,42 9,43 4,44 0.028,45 0.8,46 1.152,47 0.667,48 2,49 0.866,50 8.005,51 4.91,52 3.663,53 18,54 4.248,55 3.635,56 3,57 3.633,58 1.057,60 182.509,61 2.55,62 4.801,63 167.549,64 0.659,65 6.221,66 13.662,67 1.804,68 1.195,69 5,70 5,71 4.982}
{0 CHEMBL569737,2 17.472,3 -0.148,7 21.348,8 -0.35,9 -0.043,10 4.849,11 1.241,12 0.713,13 0.821,14 237.611,15 1.696,16 196.087,17 1.771,18 17.738,19 1,20 247.611,21 1.764,22 4,23 1.646,24 1.496,25 0.127,26 3.793,27 1.145,28 36.7,29 1.872,30 4,31 4.956,32 1.026,33 2,34 3.354,35 5.053,36 9,37 7.906,38 4.923,39 275.121,40 49,41 1.805,42 8,43 7,44 0.072,45 0.8,46 1.417,47 0.65,48 12,49 0.892,50 14.063,51 5.053,52 3.579,53 17,54 4.17,55 3.559,56 3,57 3.699,58 1.297,59 103.579,60 107.329,61 2.591,62 5.155,63 107.329,64 0.624,65 6.897,66 20.073,67 1.637,68 1.269,69 4,70 4,71 6.699}
{0 CHEMBL569738,1 2,2 16.702,3 -0.062,7 42.346,8 -0.178,9 -0.003,10 4.746,11 1.091,12 0.685,13 0.719,14 185.111,15 1.584,16 214.544,17 1.658,18 24.214,19 2,20 194.621,21 1.658,22 3,23 1.529,24 1.421,25 0.126,27 1.151,28 38.5,29 1.786,31 4.174,32 0.926,35 4.99,36 8,37 6.819,38 4.629,39 206.131,40 39,41 1.783,42 7,43 3,44 0.033,45 0.6,46 1.144,47 0.661,48 4,49 0.792,50 7.73,51 5.042,52 3.621,53 17,54 4.17,55 3.593,56 3,57 3.504,58 1.075,60 134.664,61 2.41,62 4.71,63 119.704,64 0.645,65 5.828,66 13.226,67 1.188,68 1.101,69 4,70 4,71 8.523}
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{0 CHEMBL569757,2 17.62,3 -0.128,7 24.883,8 -0.308,9 -0.037,10 4.806,11 1.273,12 0.692,13 0.937,14 278.743,15 1.715,16 203.69,17 1.844,18 20.901,19 1,20 310.253,21 1.841,22 4,23 1.659,24 1.649,25 0.116,26 4.136,27 1.144,28 36.2,29 1.923,30 7,31 5.03,32 1.082,33 4,34 5.936,35 5.349,36 9,37 7.918,38 4.958,39 339.763,40 58,41 1.924,42 8,43 10,44 0.073,45 0.8,46 1.468,47 0.64,48 10,49 1.007,50 19.364,51 5.418,52 3.598,53 17,54 4.17,55 3.578,56 3,57 3.725,58 1.352,59 119.843,60 107.329,61 2.605,62 5.29,63 107.329,64 0.606,65 6.905,66 24.881,67 1.638,68 1.449,69 4,70 4,71 5.187}
{0 CHEMBL569948,2 17.474,3 -0.13,7 15.821,8 -0.295,9 -0.042,10 4.516,11 1.238,12 0.685,13 0.718,14 198.705,15 1.632,16 189.115,17 1.785,18 12.841,19 1,20 200.705,21 1.738,22 3,23 1.569,24 1.539,25 0.131,26 2.264,27 1.145,28 36.4,29 1.828,30 4,31 4.663,32 1.057,33 2,34 4.069,35 4.561,36 7,37 7.764,38 4.799,39 240.215,40 44,41 1.861,42 7,43 6,44 0.068,45 0.8,46 1.24,47 0.645,48 6,49 1.001,50 13.152,51 4.561,52 3.461,53 16,54 4.087,55 3.465,56 2,57 3.336,58 1.097,59 87.628,60 104.205,61 2.252,62 4.876,63 104.205,64 0.61,65 6.835,66 17.952,67 1.298,68 1.15,69 4,70 4,71 7.602}
{0 CHEMBL569957,2 17.237,3 -0.127,7 25.39,8 -0.225,9 -0.038,10 4.909,11 1.267,12 0.697,13 1.12,14 284.743,15 1.711,16 202.625,17 1.843,18 21.496,19 1,20 310.253,21 1.842,22 4,23 1.657,24 1.644,25 0.119,26 2.829,27 1.161,28 36.2,29 1.914,30 7,31 5.088,32 1.053,33 4,34 1.439,35 5.349,36 12,37 7.926,38 4.979,39 339.763,40 58,41 1.92,42 8,43 10,44 0.044,45 0.8,46 1.465,47 0.637,48 10,49 1.006,50 17.167,51 5.418,52 3.601,53 17,54 4.17,55 3.577,56 3,57 3.861,58 1.301,59 136.448,60 152.21,61 2.624,62 5.3,63 107.329,64 0.626,65 6.911,66 24.367,67 1.948,68 1.455,69 4,70 4,71 5.959}
{0 CHEMBL569966,1 1,2 17.254,3 -0.015,7 21.458,8 -0.1,9 0.022,10 4.864,11 0.999,12 0.676,13 0.82,14 218.869,15 1.727,16 238.642,17 1.759,18 15.464,19 1,20 230.379,21 1.733,22 4,23 1.675,24 1.545,25 0.109,27 1.14,28 42.2,29 1.895,30 1,31 4.836,32 0.873,34 0.811,35 5.12,36 8,37 7.939,38 5.021,39 247.133,40 45,41 1.837,42 7,43 3,44 0.038,45 0.6,46 1.181,47 0.679,48 7,49 0.947,50 11.783,51 5.12,52 3.628,53 22,54 4.524,55 3.603,56 3,57 3.541,58 1.097,59 107.558,60 134.052,61 2.454,62 4.902,63 119.091,64 0.66,65 6.921,66 14.639,67 1.463,68 1.15,69 4,70 4,71 6.569}
{0 CHEMBL570002,1 2,2 20.296,3 -0.095,5 2,7 42.041,8 -0.243,9 -0.016,10 4.817,11 1.096,12 0.7,13 0.747,14 187.866,15 1.587,16 262.366,17 1.652,18 25.828,19 2,20 190.621,21 1.657,22 3,23 1.533,24 1.416,25 0.151,27 1.156,28 38.5,29 1.786,31 4.369,32 0.889,35 4.888,36 10,37 7.212,38 4.765,39 206.131,40 39,41 1.77,42 9,43 3,44 0.023,45 0.4,46 1.147,47 0.674,48 2,49 0.747,50 7.265,51 4.888,52 3.646,53 18,54 4.248,55 3.615,56 3,57 3.628,58 1.048,60 182.509,61 2.542,62 4.696,63 167.549,64 0.671,65 6.117,66 11.574,67 1.778,68 1.118,69 5,70 5,71 8.373}
{0 CHEMBL570192,1 1,2 16.648,3 -0.097,5 1,7 35.634,8 -0.158,9 -0.022,10 4.797,11 1.118,12 0.673,13 0.75,14 201.458,15 1.587,16 242.925,17 1.641,18 24.503,19 2,20 212.213,21 1.639,22 3,23 1.534,24 1.404,25 0.146,27 1.146,28 40.5,29 1.787,31 4.466,32 0.923,35 5.053,36 9,37 7.269,38 4.815,39 226.477,40 42,41 1.791,42 7,43 4,44 0.037,45 0.8,46 1.152,47 0.672,48 4,49 0.867,50 7.35,51 5.053,52 3.674,53 18,54 4.248,55 3.647,56 3,57 3.635,58 1.087,60 147.713,61 2.555,62 4.747,63 132.753,64 0.664,65 6.221,66 13.71,67 1.87,68 1.188,69 4,70 4,71 6.848}
{0 CHEMBL570206,1 1,2 17.274,3 -0.001,7 21.437,8 -0.103,9 0.024,10 4.767,11 0.88,12 0.683,13 0.704,14 200.213,15 1.727,16 230.487,17 1.659,18 15.438,19 1,20 211.722,21 1.653,22 4,23 1.674,24 1.444,25 0.113,27 1.131,28 42.9,29 1.893,31 4.787,32 0.801,35 5.041,36 8,37 7.923,38 5.008,39 226.477,40 42,41 1.819,42 7,43 2,44 0.017,45 0.6,46 1.119,47 0.707,48 7,49 0.851,50 9.803,51 5.041,52 3.628,53 22,54 4.524,55 3.603,56 3,57 3.538,58 1.093,59 102.171,60 119.091,61 2.449,62 4.8,63 119.091,64 0.681,65 6.895,66 12.439,67 1.396,68 1.101,69 4,70 4,71 5.161}
{0 CHEMBL570217,1 1,2 17.332,3 -0.016,7 21.458,8 -0.097,9 0.019,10 4.772,11 1.022,12 0.67,13 0.858,14 229.059,15 1.729,16 244.933,17 1.819,18 15.464,19 1,20 240.568,21 1.793,22 4,23 1.676,24 1.626,25 0.106,27 1.14,28 41.7,29 1.895,31 4.883,32 0.9,35 5.012,36 8,37 7.956,38 5.035,39 268.078,40 48,41 1.875,42 7,43 4,44 0.041,45 0.6,46 1.283,47 0.673,48 7,49 0.989,50 14.011,51 5.012,52 3.631,53 22,54 4.524,55 3.607,56 3,57 3.543,58 1.181,59 112.944,60 134.052,61 2.454,62 5.072,63 119.091,64 0.65,65 6.946,66 16.532,67 1.536,68 1.239,69 4,70 4,71 6.328}
{0 CHEMBL570229,1 1,2 17.456,3 0.017,7 22.01,8 -0.066,9 0.043,10 4.833,11 0.929,12 0.692,13 0.741,14 207.82,15 1.737,16 226.416,17 1.751,18 15.907,19 1,20 221.329,21 1.735,22 5,23 1.682,24 1.558,25 0.112,27 1.129,28 44.2,29 1.914,30 2,31 5.024,32 0.818,34 2.135,35 5.147,36 7,37 8.028,38 5.057,39 233.329,40 43,41 1.859,42 7,43 3,44 0.055,45 0.6,46 1.107,47 0.694,48 7,49 1.001,50 9.443,51 5.287,52 3.624,53 22,54 4.524,55 3.598,56 3,57 3.564,58 1.097,59 190.635,60 119.091,61 2.471,62 4.858,63 119.091,64 0.669,65 6.987,66 14.137,67 1.519,68 1.15,69 4,70 4,71 4.721}
{0 CHEMBL570230,1 2,2 16.904,3 -0.051,5 1,7 42.382,8 -0.156,9 -0.001,10 4.844,11 1.072,12 0.673,13 0.789,14 208.31,15 1.588,16 258.449,17 1.669,18 26.422,19 2,20 219.065,21 1.664,22 3,23 1.535,24 1.438,25 0.145,27 1.149,28 39.5,29 1.787,31 4.466,32 0.912,35 5.095,36 9,37 7.269,38 4.815,39 233.329,40 43,41 1.792,42 8,43 4,44 0.027,45 0.8,46 1.152,47 0.67,48 4,49 0.869,50 8.415,51 5.095,52 3.678,53 18,54 4.248,55 3.652,56 3,57 3.637,58 1.098,60 165.724,61 2.559,62 4.843,63 150.763,64 0.656,65 6.221,66 14.222,67 1.804,68 1.195,69 4,70 4,71 6.042}
{0 CHEMBL570231,2 17.525,3 -0.134,7 26.801,8 -0.321,9 -0.039,10 4.808,11 1.263,12 0.698,13 0.898,14 264.465,15 1.736,16 201.156,17 1.782,18 20.901,19 1,20 290.465,21 1.748,22 4,23 1.68,24 1.573,25 0.12,26 4.091,27 1.144,28 36.4,29 1.921,30 6,31 5.011,32 1.065,33 4,34 4.822,35 5.281,36 9,37 7.926,38 4.951,39 317.975,40 55,41 1.842,42 8,43 9,44 0.073,45 0.8,46 1.434,47 0.643,48 10,49 1.058,50 18.097,51 5.354,52 3.591,53 17,54 4.17,55 3.572,56 3,57 3.713,58 1.359,59 117.885,60 107.329,61 2.596,62 5.187,63 107.329,64 0.611,65 6.902,66 23.291,67 1.597,68 1.529,69 4,70 4,71 6.796}
{0 CHEMBL570456,2 17.294,3 -0.127,7 27.431,8 -0.225,9 -0.038,10 4.909,11 1.267,12 0.697,13 1.12,14 284.743,15 1.71,16 202.625,17 1.838,18 23.097,19 1,20 310.253,21 1.843,22 4,23 1.657,24 1.635,25 0.118,26 3.253,27 1.161,28 36.2,29 1.911,30 7,31 5.069,32 1.053,33 4,34 1.316,35 5.349,36 12,37 7.923,38 4.979,39 339.763,40 58,41 1.893,42 8,43 10,44 0.044,45 0.8,46 1.468,47 0.637,48 10,49 1.006,50 17.831,51 5.418,52 3.601,53 17,54 4.17,55 3.577,56 3,57 3.888,58 1.3,59 136.912,60 152.21,61 2.61,62 5.309,63 107.329,64 0.626,65 6.911,66 24.367,67 1.95,68 1.451,69 4,70 4,71 6.041}
{0 CHEMBL570462,2 17.266,3 -0.053,7 16.01,8 -0.241,9 0.008,10 4.822,11 1.111,12 0.717,13 0.685,14 192.877,15 1.676,16 171.465,17 1.569,18 13.229,19 1,20 202.877,21 1.602,22 4,23 1.625,24 1.34,25 0.127,26 2.064,27 1.144,28 37.5,29 1.85,30 4,31 4.804,32 0.929,33 2,34 3.231,35 5.072,36 8,37 7.835,38 4.831,39 212.877,40 40,41 1.79,42 7,43 5,44 0.048,45 0.8,46 1.097,47 0.658,48 7,49 0.824,50 8.469,51 5.072,52 3.539,53 16,54 4.087,55 3.528,56 3,57 3.405,58 1.008,59 83.29,60 104.205,61 2.325,62 4.863,63 104.205,64 0.637,65 6.863,66 15.152,67 1.372,68 1.148,69 4,70 4,71 7.155}
{0 CHEMBL570464,1 2,2 16.53,3 -0.122,5 1,7 45.314,8 -0.226,9 -0.025,10 4.796,11 1.167,12 0.698,13 0.714,14 191.858,15 1.483,16 218.659,17 1.65,18 26.102,19 2,20 201.367,21 1.685,22 3,23 1.442,24 1.398,25 0.121,27 1.153,28 37.5,29 1.688,31 4.234,32 0.945,35 5.034,36 9,37 6.88,38 4.658,39 212.877,40 40,41 1.683,42 7,43 3,44 0.037,45 0.6,46 1.156,47 0.656,48 7,49 0.752,50 7.722,51 5.084,52 3.602,53 17,54 4.17,55 3.568,56 3,57 3.512,58 1.077,60 134.664,61 2.4,62 4.688,63 119.704,64 0.647,65 5.857,66 13.753,67 1.2,68 1.141,69 4,70 4,71 8.31}
{0 CHEMBL570668,2 17.442,3 -0.096,7 15.821,8 -0.26,9 -0.014,10 4.477,11 1.135,12 0.716,13 0.679,14 174.621,15 1.679,16 173.999,17 1.57,18 12.841,19 1,20 182.131,21 1.601,22 4,23 1.625,24 1.341,25 0.132,26 2.296,27 1.143,28 38.5,29 1.853,30 5,31 4.754,32 0.954,33 2,34 5.788,35 4.67,36 7,37 7.81,38 4.815,39 206.131,40 39,41 1.793,42 7,43 5,44 0.076,45 0.8,46 1.097,47 0.663,48 6,49 0.825,50 8.35,51 4.67,52 3.535,53 16,54 4.087,55 3.529,56 3,57 3.346,58 1.008,59 78.557,60 104.205,61 2.266,62 4.794,63 104.205,64 0.635,65 6.851,66 15.28,67 1.265,68 1.148,69 4,70 4,71 7.357}
{0 CHEMBL570686,1 1,2 17.043,3 -0.009,7 19.011,8 -0.108,9 0.028,10 4.683,11 0.944,12 0.69,13 0.744,14 182.621,15 1.725,16 229.388,17 1.599,18 14.502,19 1,20 194.131,21 1.629,22 4,23 1.673,24 1.375,25 0.117,27 1.141,28 43.6,29 1.894,30 1,31 4.727,32 0.808,33 1,34 0.513,35 4.978,36 8,37 7.887,38 4.981,39 206.131,40 39,41 1.817,42 7,43 1,44 0.029,45 0.4,46 1.097,47 0.693,48 8,49 0.823,50 6.791,51 4.978,52 3.625,53 22,54 4.524,55 3.598,56 3,57 3.533,58 1.019,59 97.036,60 134.052,61 2.453,62 4.691,63 119.091,64 0.683,65 6.862,66 10.722,67 1.374,68 1.062,69 4,70 4,71 5.523}
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{0 CHEMBL571118,2 17.264,3 -0.145,7 21.093,8 -0.297,9 -0.034,10 4.946,11 1.198,12 0.72,13 0.707,14 207.722,15 1.645,16 187.005,17 1.66,18 16.377,19 1,20 213.722,21 1.673,22 4,23 1.609,24 1.436,25 0.136,26 2.044,27 1.142,28 38.1,29 1.835,30 3,31 4.89,32 0.956,33 2,34 2.052,35 5.089,36 9,37 7.904,38 4.893,39 226.477,40 42,41 1.84,42 7,43 5,44 0.064,45 0.8,46 1.097,47 0.661,48 9,49 0.956,50 10.243,51 5.089,52 3.554,53 17,54 4.17,55 3.536,56 3,57 3.603,58 1.012,59 95.296,60 104.205,61 2.521,62 4.859,63 104.205,64 0.648,65 6.888,66 15.766,67 1.461,68 1.151,69 4,70 4,71 7.06}
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{0 CHEMBL572881,1 2,2 8.347,3 0.008,5 1,7 44.521,8 -0.095,9 0.035,10 4.6,11 1.011,12 0.652,13 0.782,14 234.623,15 1.804,16 225.044,17 1.837,18 27.538,20 257.029,21 1.82,22 4,23 1.771,24 1.641,25 0.119,27 1.126,28 43.1,29 1.925,30 2,31 4.71,32 0.917,33 2,34 1.461,35 5.04,36 6,37 7.063,38 4.866,39 289.294,40 51,41 1.914,42 5,43 5,44 0.042,45 0.8,46 1.415,47 0.673,48 11,49 1.022,50 11.076,51 5.094,52 3.74,53 19,54 4.322,55 3.734,56 3,57 3.555,58 1.282,59 115.361,60 87.603,61 2.516,62 5.207,63 87.603,64 0.638,65 6.235,66 19.045,67 1.594,68 1.316,69 2,70 2,71 5}
{0 CHEMBL573339,2 13.778,3 -0.095,5 1,7 16.024,8 -0.256,9 -0.008,10 4.547,11 1.072,12 0.712,13 0.64,14 190.968,15 1.749,16 154.584,17 1.738,18 12.611,20 206.477,21 1.771,22 5,23 1.71,24 1.545,25 0.113,26 2.141,27 1.122,28 45.2,29 1.943,30 4,31 5.425,32 0.87,33 4,34 2.753,35 4.916,36 7,37 8.952,38 5.11,39 226.477,40 42,41 1.917,42 4,43 4,44 0.06,45 0.8,46 1.125,47 0.689,48 14,49 1.026,50 7.574,51 4.916,52 3.585,53 21,54 4.459,55 3.567,56 3,57 3.688,58 1.103,59 148.493,60 53.481,61 2.588,62 4.8,63 53.481,64 0.676,65 7.581,66 14.419,67 1.504,68 1.14,69 3,70 3,71 5}
{0 CHEMBL574738,1 1,2 8.045,3 -0.12,5 1,7 62.867,8 -0.229,9 -0.03,10 4.702,11 1.233,12 0.684,13 1.234,14 319.709,15 1.768,16 244.442,17 1.903,18 41.64,20 352.928,21 1.919,22 4,23 1.697,24 1.725,25 0.109,26 4.291,27 1.152,28 38.2,29 1.967,30 6,31 4.883,32 1.035,33 6,34 4.244,35 5.19,36 12,37 7.211,38 4.954,39 413.947,40 68,41 1.959,42 7,43 9,44 0.039,45 0.9,46 1.513,47 0.642,48 23,49 1.062,50 15.218,51 5.407,52 3.661,53 19,54 4.322,55 3.636,56 4,57 3.617,58 1.464,60 138.732,61 2.491,62 5.442,63 93.852,64 0.626,65 6.394,66 28.269,67 2.43,68 1.551,69 2,70 2,71 6.021}
{0 CHEMBL576068,1 2,2 17.055,3 -0.061,7 41.556,8 -0.169,9 -0.005,10 4.701,11 1.115,12 0.677,13 0.757,14 197.458,15 1.586,16 217.078,17 1.668,18 24.808,19 2,20 212.213,21 1.662,22 3,23 1.531,24 1.437,25 0.122,27 1.15,28 38.1,29 1.787,31 4.29,32 0.957,35 5.053,36 8,37 6.902,38 4.686,39 226.477,40 42,41 1.792,42 7,43 4,44 0.037,45 0.8,46 1.152,47 0.656,48 4,49 0.869,50 8.428,51 5.053,52 3.65,53 17,54 4.17,55 3.626,56 3,57 3.58,58 1.094,60 134.664,61 2.506,62 4.813,63 119.704,64 0.636,65 5.925,66 15.128,67 1.447,68 1.152,69 4,70 4,71 7.745}
{0 CHEMBL576257,1 2,2 16.552,3 -0.051,5 1,7 42.041,8 -0.164,9 0.002,10 4.915,11 1.047,12 0.68,13 0.751,14 196.612,15 1.587,16 255.914,17 1.658,18 25.828,19 2,20 203.367,21 1.659,22 3,23 1.534,24 1.421,25 0.151,27 1.15,28 40,29 1.787,31 4.369,32 0.881,35 5.084,36 9,37 7.212,38 4.765,39 212.877,40 40,41 1.781,42 8,43 3,44 0.023,45 0.6,46 1.148,47 0.676,48 4,49 0.793,50 7.645,51 5.084,52 3.66,53 18,54 4.248,55 3.632,56 3,57 3.634,58 1.089,60 165.724,61 2.557,62 4.743,63 150.763,64 0.667,65 6.117,66 12.197,67 1.778,68 1.119,69 4,70 4,71 8.523}
{0 CHEMBL576272,2 17.321,3 -0.033,5 1,7 24.04,8 -0.192,9 0.023,10 4.729,11 1.087,12 0.71,13 0.743,14 203.329,15 1.694,16 209.067,17 1.588,18 17.396,19 1,20 209.329,21 1.624,22 4,23 1.644,24 1.357,25 0.131,26 2.125,27 1.146,28 37.2,29 1.862,30 4,31 4.868,32 0.912,33 2,34 2.92,35 4.868,36 9,37 7.88,38 4.878,39 233.329,40 43,41 1.794,42 8,43 5,44 0.042,45 0.8,46 1.137,47 0.658,48 6,49 0.825,50 9.6,51 4.868,52 3.575,53 17,54 4.17,55 3.557,56 3,57 3.647,58 1.096,59 95.762,60 137.102,61 2.578,62 4.972,63 137.102,64 0.64,65 6.885,66 15.799,67 1.386,68 1.161,69 4,70 4,71 6.721}
{0 CHEMBL576286,1 2,2 16.729,3 -0.112,5 1,7 48.802,8 -0.204,9 -0.025,10 4.61,11 1.202,12 0.683,13 0.793,14 212.045,15 1.62,16 225.427,17 1.683,18 28.259,19 2,20 229.819,21 1.705,22 3,23 1.568,24 1.459,25 0.113,27 1.151,28 37,29 1.856,31 4.317,32 0.999,35 4.996,36 9,37 6.951,38 4.676,39 254.084,40 46,41 1.823,42 7,43 5,44 0.043,45 0.8,46 1.313,47 0.647,48 5,49 0.809,50 9.685,51 5.04,52 3.61,53 17,54 4.17,55 3.578,56 3,57 3.53,58 1.156,60 134.664,61 2.411,62 4.853,63 119.704,64 0.629,65 5.943,66 17.17,67 1.447,68 1.239,69 4,70 4,71 6.376}
{0 CHEMBL576475,1 1,2 21.4,3 -0.047,5 1,7 18.348,8 -0.195,9 0.011,10 4.732,11 0.987,12 0.708,13 0.684,14 179.812,15 1.723,16 236.195,17 1.6,18 12.874,19 1,20 193.421,21 1.629,22 4,23 1.67,24 1.377,25 0.121,27 1.138,28 42.1,29 1.89,30 1,31 4.691,32 0.824,33 1,34 0.569,35 5.09,36 8,37 7.864,38 4.95,39 199.421,40 38,41 1.817,42 8,43 1,44 0.043,45 0.4,46 1.091,47 0.693,48 7,49 0.819,50 6.778,51 5.143,52 3.621,53 22,54 4.524,55 3.595,56 3,57 3.454,58 1.015,59 91.064,60 135.877,61 2.39,62 4.607,63 135.877,64 0.678,65 6.855,66 11.044,67 1.374,68 1.036,69 5,70 5,71 4.699}
{0 CHEMBL576476,1 1,2 17.456,3 0.017,7 22.01,8 -0.066,9 0.043,10 4.833,11 0.929,12 0.692,13 0.741,14 207.82,15 1.737,16 226.416,17 1.751,18 15.907,19 1,20 221.329,21 1.735,22 5,23 1.682,24 1.558,25 0.112,27 1.129,28 44.2,29 1.914,30 2,31 5.024,32 0.818,34 2.135,35 5.147,36 7,37 8.028,38 5.057,39 233.329,40 43,41 1.859,42 7,43 3,44 0.055,45 0.6,46 1.107,47 0.694,48 7,49 1.001,50 9.443,51 5.287,52 3.624,53 22,54 4.524,55 3.598,56 3,57 3.564,58 1.097,59 190.635,60 119.091,61 2.471,62 4.858,63 119.091,64 0.669,65 6.987,66 14.137,67 1.519,68 1.15,69 4,70 4,71 7.284}
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{0 CHEMBL576862,1 1,2 17.297,3 -0.012,7 20.796,8 -0.106,9 0.023,10 4.603,11 0.974,12 0.68,13 0.715,14 193.316,15 1.727,16 236.463,17 1.669,18 13.837,19 1,20 208.968,21 1.661,22 4,23 1.674,24 1.448,25 0.117,27 1.132,28 42.9,29 1.897,31 4.754,32 0.853,35 4.975,36 7,37 7.901,38 4.978,39 226.477,40 42,41 1.826,42 7,43 2,44 0.048,45 0.6,46 1.149,47 0.687,48 8,49 0.856,50 9.943,51 5.041,52 3.626,53 22,54 4.524,55 3.601,56 3,57 3.526,58 1.096,59 96.199,60 119.091,61 2.445,62 4.801,63 119.091,64 0.662,65 6.888,66 13.697,67 1.374,68 1.104,69 4,70 4,71 4.745}
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{0 CHEMBL577944,2 17.295,3 -0.033,7 19.06,8 -0.192,9 0.023,10 4.822,11 1.087,12 0.71,13 0.743,14 207.329,15 1.691,16 209.067,17 1.589,18 15.564,19 1,20 221.329,21 1.621,22 4,23 1.641,24 1.352,25 0.131,26 2.055,27 1.146,28 37.2,29 1.86,30 4,31 4.883,32 0.912,33 2,34 3.096,35 5.147,36 9,37 7.89,38 4.878,39 233.329,40 43,41 1.793,42 8,43 5,44 0.042,45 0.8,46 1.221,47 0.658,48 6,49 0.829,50 9.644,51 5.147,52 3.569,53 17,54 4.17,55 3.552,56 3,57 3.606,58 1.097,59 93.225,60 137.102,61 2.542,62 4.98,63 137.102,64 0.64,65 6.887,66 15.799,67 1.392,68 1.187,69 4,70 4,71 7.076}
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{0 CHEMBL584944,1 1,2 17.335,3 -0.016,7 21.458,8 -0.097,9 0.019,10 4.871,11 1.022,12 0.67,13 0.858,14 233.814,15 1.728,16 241.177,17 1.829,18 15.464,19 1,20 249.323,21 1.798,22 4,23 1.675,24 1.623,25 0.106,27 1.14,28 41.7,29 1.895,30 2,31 4.89,32 0.9,34 1.85,35 5.194,36 8,37 7.953,38 5.028,39 268.078,40 48,41 1.887,42 7,43 4,44 0.041,45 0.6,46 1.181,47 0.673,48 7,49 1.004,50 13.447,51 5.194,52 3.629,53 22,54 4.524,55 3.605,56 3,57 3.541,58 1.113,59 113.164,60 134.052,61 2.454,62 4.985,63 119.091,64 0.65,65 6.932,66 16.481,67 1.5,68 1.154,69 4,70 4,71 7.125}
{0 CHEMBL585,2 16.403,3 0.173,4 1,7 10,8 -0.032,9 0.145,10 3.711,11 0.775,12 0.697,13 0.541,14 111.332,15 1.337,16 229.572,17 1.366,18 9.487,20 126.452,21 1.387,22 3,23 1.273,24 0.993,25 0.152,27 1.144,28 40,29 1.58,31 4.477,32 0.688,35 4.215,36 7,37 7.844,38 4.764,39 147.207,40 30,41 1.471,42 7,44 -0.034,45 0.3,46 1.061,47 0.685,48 5,49 0.383,50 5.31,51 4.44,52 3.254,53 17,54 4.17,55 3.221,56 2,57 3.158,58 0.656,60 165.834,61 2.096,62 4.331,63 165.834,64 0.673,65 6.841,66 7.99,67 1,68 1.046,69 4,70 4,71 5.336}
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{0 CHEMBL589145,1 1,2 8.948,3 -0.003,7 24.272,8 -0.085,9 0.038,10 4.411,11 0.938,12 0.673,13 0.655,14 194.076,15 1.777,16 199.863,17 1.788,18 15.818,19 1,20 218.605,21 1.799,22 5,23 1.744,24 1.581,25 0.115,27 1.116,28 47.7,29 1.904,30 2,31 5.283,32 0.829,33 2,34 1.15,35 4.968,36 5,37 8.32,38 5.039,39 240.215,40 44,41 1.87,42 4,43 3,44 0.061,45 0.6,46 1.181,47 0.7,48 14,49 1.113,50 11.456,51 5.187,52 3.74,53 22,54 4.524,55 3.738,56 2,57 3.528,58 1.157,59 62.809,60 68.367,61 2.495,62 4.993,63 68.367,64 0.67,65 7.089,66 15.36,67 1.49,68 1.091,69 2,70 2,71 5.301}
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{0 CHEMBL589387,1 1,2 4.386,3 0.064,7 21.351,8 -0.003,9 0.072,10 4.808,11 0.864,12 0.664,13 0.705,14 216.379,15 1.74,16 192.469,17 1.722,18 17.118,19 1,20 240.379,21 1.749,22 5,23 1.71,24 1.538,25 0.133,27 1.119,28 48.9,29 1.862,31 5.7,32 0.761,35 5.342,36 7,37 8.841,38 5.209,39 247.133,40 45,41 1.836,42 3,43 2,44 0.01,45 0.4,46 1.144,47 0.703,48 11,49 0.925,50 14.487,51 5.386,52 3.74,53 23,54 4.585,55 3.736,56 2,57 3.73,58 1.121,59 67.408,60 66.542,61 2.681,62 5.051,63 51.582,64 0.695,65 7.494,66 12.479,67 1.912,68 1.1,69 1,70 1,71 7.538}
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{0 CHEMBL589869,1 1,2 8.796,3 0.092,7 20.893,8 -0.019,9 0.086,10 4.678,11 0.792,12 0.68,13 0.649,14 177.77,15 1.71,16 180.847,17 1.695,18 14.814,19 1,20 197.421,21 1.709,22 5,23 1.677,24 1.508,25 0.123,27 1.122,28 50,29 1.848,31 5.485,32 0.712,35 5.195,36 6,37 8.713,38 5.099,39 199.421,40 38,41 1.781,42 4,43 1,44 0.005,45 0.4,46 1.106,47 0.716,48 8,49 0.892,50 9.317,51 5.248,52 3.737,53 22,54 4.524,55 3.732,56 2,57 3.73,58 1.055,59 55.997,60 83.327,61 2.677,62 4.865,63 68.367,64 0.706,65 7.314,66 9.296,67 1.566,68 1.068,69 2,70 2,71 6.854}
{0 CHEMBL590109,2 13.023,3 0.134,4 1,5 2,7 5,8 0.111,9 0.101,10 4.931,11 0.73,12 0.669,13 0.832,14 246.541,15 1.812,16 257.416,17 1.802,18 7.443,19 2,20 272.193,21 1.812,22 6,23 1.765,24 1.603,25 0.092,27 1.118,28 46,29 1.981,30 2,31 5.663,32 0.714,33 2,34 1.211,35 5.444,36 8,37 9.389,38 5.433,39 282.193,40 50,41 1.914,42 7,43 2,44 0.044,45 0.6,46 1.359,47 0.725,48 11,49 1.125,50 11.606,51 5.484,52 3.876,53 30,54 4.954,55 3.861,56 3,57 3.852,58 1.266,59 315.896,60 134.591,61 2.762,62 4.982,63 134.591,64 0.69,65 7.863,66 16.028,67 1.549,68 1.386,69 3,70 3,71 5.4}
{0 CHEMBL590854,1 1,2 4.387,3 0.067,7 19.384,8 0.003,9 0.072,10 4.511,11 0.788,12 0.66,13 0.688,14 171.421,15 1.739,16 183.516,17 1.697,18 14.177,19 1,20 197.421,21 1.709,22 5,23 1.707,24 1.511,25 0.125,27 1.123,28 52.6,29 1.862,31 5.493,32 0.725,35 5.195,36 5,37 8.709,38 5.099,39 199.421,40 38,41 1.837,42 3,43 1,44 0.021,45 0.4,46 1.119,47 0.723,48 9,49 0.925,50 10.736,51 5.248,52 3.74,53 22,54 4.524,55 3.736,56 2,57 3.729,58 1.111,59 55.41,60 81.502,61 2.679,62 4.86,63 51.582,64 0.71,65 7.315,66 9.255,67 1.543,68 1.068,69 1,70 1,71 6.678}
{0 CHEMBL591095,1 1,2 4.464,3 0.117,7 18.661,8 0.058,9 0.095,10 4.349,11 0.764,12 0.656,13 0.548,14 169.601,15 1.742,16 174.75,17 1.701,18 12.944,19 1,20 198.131,21 1.708,22 5,23 1.709,24 1.514,25 0.128,27 1.108,28 51.3,29 1.864,31 5.451,32 0.723,35 5.08,36 4,37 8.659,38 5.071,39 206.131,40 39,41 1.844,42 3,43 1,44 0.023,45 0.6,46 1.142,47 0.719,48 10,49 0.936,50 11.946,51 5.285,52 3.739,53 22,54 4.524,55 3.736,56 2,57 3.725,58 1.116,59 51.584,60 51.582,61 2.677,62 4.871,63 51.582,64 0.691,65 7.297,66 11.389,67 1.473,68 1.098,69 1,70 1,71 5.959}
{0 CHEMBL591096,1 1,2 4.422,3 0.115,7 20.893,8 0.034,9 0.097,10 4.619,11 0.765,12 0.66,13 0.624,14 180.131,15 1.739,16 174.395,17 1.697,18 14.814,19 1,20 204.131,21 1.711,22 5,23 1.708,24 1.51,25 0.123,27 1.116,28 51.3,29 1.862,31 5.485,32 0.712,35 5.234,36 5,37 8.713,38 5.099,39 206.131,40 39,41 1.836,42 3,43 1,44 0.007,45 0.4,46 1.12,47 0.717,48 9,49 0.925,50 11.06,51 5.285,52 3.74,53 22,54 4.524,55 3.736,56 2,57 3.73,58 1.104,59 55.997,60 66.542,61 2.677,62 4.884,63 51.582,64 0.701,65 7.314,66 10.147,67 1.566,68 1.068,69 1,70 1,71 6.066}
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{0 CHEMBL592030,2 13.108,3 0.126,4 1,5 2,7 7.5,8 0.104,9 0.096,10 5.018,11 0.757,12 0.664,13 0.873,14 265.928,15 1.82,16 259.951,17 1.84,18 9.487,19 2,20 291.58,21 1.843,22 6,23 1.772,24 1.646,25 0.09,27 1.119,28 45.3,29 1.986,30 3,31 5.69,32 0.744,33 2,34 2.306,35 5.502,36 8,37 9.397,38 5.438,39 303.58,40 53,41 1.955,42 7,43 3,44 0.049,45 0.6,46 1.363,47 0.717,48 11,49 1.135,50 12.765,51 5.539,52 3.877,53 30,54 4.954,55 3.862,56 3,57 3.852,58 1.315,59 330.277,60 134.591,61 2.762,62 5.064,63 134.591,64 0.68,65 7.869,66 18.076,67 1.55,68 1.39,69 3,70 3,71 5.7}
{0 CHEMBL592033,1 1,2 4.486,3 0.096,7 20.916,8 0.065,9 0.087,10 4.619,11 0.625,12 0.65,13 0.526,14 180.131,15 1.74,16 168.329,17 1.693,18 14.826,19 1,20 204.131,21 1.703,22 5,23 1.71,24 1.511,25 0.123,27 1.104,28 51.3,29 1.86,31 5.485,32 0.659,35 5.234,36 5,37 8.713,38 5.099,39 206.131,40 39,41 1.832,42 3,43 1,44 -0.007,45 0.4,46 1.117,47 0.754,48 9,49 0.935,50 11.527,51 5.285,52 3.74,53 22,54 4.524,55 3.737,56 2,57 3.727,58 1.079,59 55.997,60 51.582,61 2.661,62 4.867,63 97.536,64 0.717,65 7.314,66 7.184,67 1.566,68 1.056,69 1,70 1,71 5.301}
{0 CHEMBL592034,1 1,2 4.498,3 0.108,7 24.071,8 0.052,9 0.089,10 4.427,11 0.8,12 0.65,13 0.591,14 185.948,15 1.75,16 177.936,17 1.72,18 16.989,19 1,20 210.477,21 1.729,22 5,23 1.719,24 1.531,25 0.123,27 1.11,28 50,29 1.871,30 1,31 5.464,32 0.759,33 1,34 0.058,35 5.011,36 4,37 8.695,38 5.081,39 226.477,40 42,41 1.851,42 3,43 2,44 0.029,45 0.6,46 1.181,47 0.71,48 12,49 0.991,50 12.703,51 5.154,52 3.74,53 22,54 4.524,55 3.737,56 2,57 3.711,58 1.143,59 56.903,60 51.582,61 2.663,62 4.963,63 51.582,64 0.678,65 7.307,66 13.618,67 1.354,68 1.097,69 1,70 1,71 5.959}
{0 CHEMBL592035,1 1,2 4.464,3 0.113,7 20.328,8 0.056,9 0.092,10 4.448,11 0.774,12 0.654,13 0.57,14 182.375,15 1.748,16 178.846,17 1.71,18 14.55,19 1,20 206.905,21 1.725,22 5,23 1.718,24 1.526,25 0.12,27 1.107,28 51.2,29 1.868,31 5.489,32 0.721,35 5.046,36 5,37 8.743,38 5.117,39 219.66,40 41,41 1.845,42 3,43 1,44 0.013,45 0.4,46 1.153,47 0.719,48 10,49 0.953,50 12.208,51 5.162,52 3.74,53 23,54 4.585,55 3.737,56 2,57 3.736,58 1.138,59 60.985,60 51.582,61 2.707,62 4.925,63 51.582,64 0.699,65 7.345,66 11.105,67 1.554,68 1.097,69 1,70 1,71 5.509}
{0 CHEMBL592269,1 1,2 4.499,3 0.064,7 21.869,8 0.003,9 0.069,10 4.513,11 0.848,12 0.657,13 0.666,14 203.094,15 1.751,16 209.048,17 1.743,18 16.63,19 1,20 229.624,21 1.756,22 5,23 1.72,24 1.538,25 0.115,27 1.114,28 48.9,29 1.872,31 5.513,32 0.783,35 5.103,36 5,37 8.753,38 5.135,39 247.133,40 45,41 1.848,42 4,43 2,44 0.038,45 0.6,46 1.181,47 0.707,48 13,49 0.959,50 14.666,51 5.208,52 3.74,53 23,54 4.585,55 3.737,56 2,57 3.748,58 1.145,59 65.298,60 69.593,61 2.731,62 4.998,63 69.593,64 0.678,65 7.356,66 14.572,67 1.554,68 1.132,69 1,70 1,71 5.377}
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{0 CHEMBL592520,1 1,2 4.445,3 0.053,7 18.296,8 -0.018,9 0.064,10 4.489,11 0.889,12 0.658,13 0.511,14 152.609,15 1.632,16 145.019,17 1.605,18 10.674,19 1,20 164.219,21 1.589,22 4,23 1.573,24 1.363,25 0.157,27 1.117,28 47.1,29 1.821,30 1,31 5.037,32 0.831,34 1.051,35 4.83,36 3,37 8.181,38 4.825,39 172.974,40 34,41 1.807,42 3,43 3,44 0.058,45 0.8,46 1.114,47 0.694,48 6,49 0.892,50 10.603,51 4.889,52 3.447,53 16,54 4.087,55 3.454,56 1,57 3.486,58 0.967,59 38.04,60 51.582,61 2.43,62 4.73,63 51.582,64 0.654,65 7.016,66 12.64,67 1.071,68 1.029,69 1,70 1,71 5.77}
{0 CHEMBL594686,1 1,2 4.467,3 0.086,7 18.296,8 0.01,9 0.077,10 4.599,11 0.934,12 0.648,13 0.607,14 188.54,15 1.683,16 141.263,17 1.725,18 11.753,19 1,20 209.66,21 1.726,22 4,23 1.631,24 1.509,25 0.138,27 1.123,28 43.9,29 1.854,30 4,31 5.182,32 0.879,33 1,34 3.089,35 5.114,36 4,37 8.239,38 4.849,39 219.66,40 41,41 1.844,42 3,43 5,44 0.035,45 0.8,46 1.143,47 0.672,48 8,49 1.041,50 13.294,51 5.162,52 3.554,53 16,54 4.087,55 3.565,56 1,57 3.502,58 1.112,59 48.632,60 51.582,61 2.446,62 4.946,63 51.582,64 0.634,65 7.047,66 16.054,67 1.224,68 1.097,69 1,70 1,71 5.62}
{0 CHEMBL594687,1 1,2 4.504,3 0.068,7 18.677,8 0.023,9 0.071,10 4.016,11 0.789,12 0.652,13 0.526,14 152.592,15 1.743,16 184.226,17 1.702,18 12.272,19 1,20 181.812,21 1.708,22 5,23 1.71,24 1.515,25 0.132,27 1.105,28 52.6,29 1.865,31 5.394,32 0.745,35 4.785,36 3,37 8.619,38 5.033,39 199.421,40 38,41 1.846,42 3,43 1,44 0.053,45 0.6,46 1.144,47 0.726,48 11,49 0.941,50 11.89,51 5.037,52 3.739,53 22,54 4.524,55 3.736,56 2,57 3.697,58 1.118,59 48.995,60 51.582,61 2.643,62 4.831,63 51.582,64 0.69,65 7.269,66 11.754,67 1.275,68 1.062,69 1,70 1,71 6.432}
{0 CHEMBL595305,1 1,2 4.376,3 0.066,7 15.848,8 -0.012,9 0.073,10 4.25,11 0.804,12 0.676,13 0.428,14 118.996,15 1.551,16 135.765,17 1.421,18 9.712,19 1,20 130.606,21 1.416,22 4,23 1.488,24 1.163,25 0.167,27 1.113,28 50,29 1.757,30 1,31 4.86,32 0.742,33 1,34 0.843,35 4.664,36 3,37 8.052,38 4.776,39 134.606,40 28,41 1.713,42 3,43 1,44 0.049,45 0.6,46 0.887,47 0.717,48 7,49 0.775,50 6.464,51 4.736,52 3.306,53 16,54 4.087,55 3.305,56 1,57 3.136,58 0.648,59 32.718,60 51.582,61 2.104,62 4.472,63 51.582,64 0.685,65 6.914,66 8.961,67 0.9,68 0.799,69 1,70 1,71 6.125}
{0 CHEMBL595396,1 1,2 4.492,3 0.045,7 18.296,8 -0.02,9 0.058,10 4.15,11 0.955,12 0.643,13 0.592,14 165.983,15 1.693,16 160.135,17 1.654,18 10.674,19 1,20 177.593,21 1.651,22 4,23 1.645,24 1.44,25 0.151,27 1.12,28 45,29 1.849,31 5.182,32 0.901,35 4.44,36 3,37 8.26,38 4.857,39 212.877,40 40,41 1.832,42 3,43 5,44 0.061,45 0.8,46 1.32,47 0.678,48 6,49 0.933,50 14.901,51 4.49,52 3.61,53 16,54 4.087,55 3.62,56 1,57 3.731,58 1.143,59 43.77,60 51.582,61 2.689,62 5.172,63 51.582,64 0.632,65 7.091,66 16.029,67 1.167,68 1.239,69 1,70 1,71 5.678}
{0 CHEMBL595397,1 1,2 4.393,3 0.001,5 2,7 19.857,8 -0.069,9 0.041,10 4.659,11 0.964,12 0.67,13 0.549,14 172.385,15 1.622,16 154.269,17 1.624,18 13.408,19 1,20 183.995,21 1.644,22 4,23 1.575,24 1.361,25 0.148,27 1.119,28 45.9,29 1.811,30 1,31 5.215,32 0.84,34 0.27,35 4.973,36 5,37 8.281,38 4.872,39 192.75,40 37,41 1.772,42 3,43 3,44 0.047,45 0.6,46 1.142,47 0.689,48 9,49 0.855,50 10.058,51 5.027,52 3.476,53 17,54 4.17,55 3.46,56 1,57 3.573,58 1.102,59 48.03,60 51.582,61 2.515,62 4.791,63 51.582,64 0.666,65 7.081,66 12.984,67 1.414,68 1.097,69 1,70 1,71 6.337}
{0 CHEMBL595626,1 1,2 4.497,3 0.023,7 24.272,8 -0.025,9 0.05,10 4.362,11 0.908,12 0.654,13 0.633,14 196.304,15 1.796,16 193.411,17 1.79,18 15.818,19 1,20 225.524,21 1.8,22 5,23 1.765,24 1.594,25 0.115,27 1.112,28 48.9,29 1.916,30 2,31 5.283,32 0.826,33 2,34 1.193,35 5.012,36 4,37 8.32,38 5.039,39 247.133,40 45,41 1.9,42 3,43 3,44 0.061,45 0.6,46 1.181,47 0.701,48 15,49 1.113,50 13.035,51 5.225,52 3.741,53 22,54 4.524,55 3.739,56 2,57 3.53,58 1.159,59 62.809,60 51.582,61 2.496,62 5.01,63 51.582,64 0.667,65 7.089,66 16.047,67 1.49,68 1.101,69 1,70 1,71 5.745}
{0 CHEMBL599911,1 1,2 4.475,3 0.047,7 18.677,8 0.001,9 0.02,10 4.475,11 0.906,12 0.663,13 0.647,14 187.948,15 1.746,16 198.945,17 1.69,18 12.272,19 1,20 212.477,21 1.702,22 5,23 1.716,24 1.522,25 0.119,27 1.104,28 47.6,29 1.872,31 5.489,32 0.886,35 5.059,36 6,37 8.719,38 5.099,39 226.477,40 42,41 1.844,42 3,43 1,44 -0.014,45 0.6,46 1.146,47 0.728,48 10,49 0.956,50 10.438,51 5.107,52 3.651,53 22,54 4.524,55 3.738,56 2,57 3.722,58 1.128,59 60.985,60 81.502,61 2.659,62 4.947,63 72.166,64 0.657,65 7.326,66 11.768,67 1.388,68 1.097,69 1,70 1,71 4.699}
{0 CHEMBL599912,1 1,2 4.498,3 0.133,7 21.177,8 0.11,9 0.109,10 4.34,11 0.749,12 0.656,13 0.601,14 173.593,15 1.744,16 210.404,17 1.71,18 15.435,19 1,20 198.122,21 1.719,22 5,23 1.711,24 1.519,25 0.127,27 1.112,28 50,29 1.868,31 5.438,32 0.722,35 4.953,36 4,37 8.67,38 5.062,39 212.877,40 40,41 1.845,42 4,43 1,44 0.03,45 0.6,46 1.181,47 0.715,48 10,49 0.94,50 11.975,51 5.072,52 3.74,53 22,54 4.524,55 3.736,56 2,57 3.707,58 1.142,59 52.821,60 84.479,61 2.656,62 4.915,63 84.479,64 0.681,65 7.288,66 12.482,67 1.327,68 1.097,69 1,70 1,71 7.149}
{0 CHEMBL600562,1 1,2 4.305,3 0.066,7 18.037,8 -0.001,9 0.073,10 4.5,11 0.788,12 0.663,13 0.778,14 171.015,15 1.738,16 183.161,17 1.697,18 13.402,19 1,20 195.421,21 1.709,22 5,23 1.707,24 1.511,25 0.123,27 1.132,28 52.6,29 1.861,31 5.549,32 0.715,35 5.143,36 6,37 8.74,38 5.144,39 199.421,40 38,41 1.832,42 3,43 1,44 0.01,45 0.4,46 1.115,47 0.721,48 8,49 0.918,50 9.825,51 5.248,52 3.74,53 22,54 4.524,55 3.736,56 2,57 3.737,58 0.958,59 57.348,60 96.462,61 2.693,62 4.877,63 51.582,64 0.72,65 7.349,66 7.886,67 1.635,68 1.08,69 1,70 1,71 7.252}
{0 CHEMBL600874,1 1,2 4.33,3 0.066,7 18.698,8 -0.001,9 0.073,10 4.553,11 0.788,12 0.663,13 0.778,14 173.015,15 1.737,16 183.161,17 1.694,18 13.7,19 1,20 197.421,21 1.709,22 5,23 1.706,24 1.509,25 0.122,27 1.132,28 52.6,29 1.86,31 5.537,32 0.715,35 5.195,36 6,37 8.75,38 5.144,39 199.421,40 38,41 1.83,42 3,43 1,44 0.01,45 0.4,46 1.113,47 0.721,48 8,49 0.917,50 10.147,51 5.248,52 3.74,53 22,54 4.524,55 3.736,56 2,57 3.742,58 0.975,59 58.585,60 96.462,61 2.696,62 4.868,63 51.582,64 0.72,65 7.346,66 7.886,67 1.641,68 1.074,69 1,70 1,71 6.553}
{0 CHEMBL600875,1 1,2 4.478,3 0.117,7 19.84,8 0.058,9 0.095,10 4.4,11 0.764,12 0.656,13 0.548,14 171.601,15 1.741,16 174.75,17 1.7,18 14.429,19 1,20 196.131,21 1.71,22 5,23 1.709,24 1.512,25 0.127,27 1.108,28 51.3,29 1.864,31 5.438,32 0.723,35 5.029,36 4,37 8.67,38 5.062,39 206.131,40 39,41 1.841,42 3,43 1,44 0.023,45 0.6,46 1.144,47 0.719,48 10,49 0.933,50 11.691,51 5.08,52 3.739,53 22,54 4.524,55 3.736,56 2,57 3.707,58 1.115,59 52.821,60 51.582,61 2.653,62 4.873,63 51.582,64 0.691,65 7.288,66 11.389,67 1.331,68 1.062,69 1,70 1,71 5.959}
{0 CHEMBL601268,2 8.928,3 -0.005,5 1,7 20.533,8 -0.12,9 0.033,10 4.291,11 0.825,12 0.7,13 0.542,14 158.75,15 1.738,16 174.206,17 1.719,18 14.474,19 1,20 180.75,21 1.734,22 6,23 1.707,24 1.529,25 0.132,26 1.893,27 1.104,28 54.1,29 1.866,31 5.9,32 0.718,35 4.885,36 5,37 9.018,38 5.189,39 192.75,40 37,41 1.799,42 4,43 1,44 0.056,45 0.4,46 1.128,47 0.744,48 9,49 0.959,50 8.689,51 5.209,52 3.742,53 23,54 4.585,55 3.738,56 1,57 3.8,58 1.067,59 86.323,60 53.481,61 2.762,62 4.842,63 53.481,64 0.727,65 7.568,66 9.11,67 1.517,68 1.032,69 2,70 2,71 5.301}
{0 CHEMBL601303,1 1,2 4.447,3 0.068,7 20.326,8 0.01,9 0.071,10 4.372,11 0.789,12 0.656,13 0.604,14 166.137,15 1.741,16 183.871,17 1.699,18 13.9,19 1,20 194.666,21 1.708,22 5,23 1.708,24 1.513,25 0.127,27 1.114,28 52.6,29 1.863,31 5.442,32 0.735,35 5.123,36 4,37 8.664,38 5.062,39 199.421,40 38,41 1.842,42 3,43 1,44 0.035,45 0.6,46 1.122,47 0.724,48 10,49 0.933,50 11.269,51 5.248,52 3.739,53 22,54 4.524,55 3.736,56 2,57 3.711,58 1.104,59 52.17,60 66.542,61 2.656,62 4.84,63 51.582,64 0.7,65 7.291,66 10.557,67 1.368,68 1.068,69 1,70 1,71 6.699}
{0 CHEMBL601718,1 1,2 4.361,3 0.067,7 17.73,8 0.003,9 0.072,10 4.333,11 0.788,12 0.66,13 0.688,14 164.666,15 1.74,16 183.516,17 1.7,18 12.826,19 1,20 186.666,21 1.708,22 5,23 1.708,24 1.514,25 0.126,27 1.123,28 52.6,29 1.863,31 5.505,32 0.725,35 4.912,36 5,37 8.698,38 5.108,39 199.421,40 38,41 1.84,42 3,43 1,44 0.021,45 0.4,46 1.115,47 0.723,48 9,49 0.928,50 10.403,51 5.037,52 3.74,53 22,54 4.524,55 3.736,56 2,57 3.732,58 1.035,59 54.172,60 81.502,61 2.686,62 4.869,63 51.582,64 0.71,65 7.324,66 9.255,67 1.489,68 1.074,69 1,70 1,71 6.886}
{0 CHEMBL601719,2 8.774,3 0.004,7 28.517,8 -0.029,9 0.028,10 5.018,11 0.917,12 0.658,13 0.843,14 260.913,15 1.815,16 193.06,17 1.637,18 23.489,19 1,20 269.668,21 1.62,22 4,23 1.758,24 1.424,25 0.11,27 1.136,28 40.4,29 1.932,30 4,31 4.804,32 0.868,33 2,34 4.068,35 5.186,36 9,37 7.457,38 4.934,39 296.423,40 52,41 1.903,42 5,43 7,44 0.011,45 0.8,46 1.416,47 0.688,48 9,49 1.02,50 11.785,51 5.186,52 3.689,53 17,54 4.17,55 3.681,56 4,57 3.767,58 1.17,60 101.093,61 2.668,62 5.125,63 86.133,64 0.656,65 6.458,66 18.794,67 2.021,68 1.376,69 2,70 2,71 6.538}
{0 CHEMBL601925,1 1,2 4.458,3 0.068,7 19.339,8 0.01,9 0.071,10 4.339,11 0.789,12 0.656,13 0.604,14 164.892,15 1.741,16 183.871,17 1.698,18 13.9,19 1,20 189.421,21 1.708,22 5,23 1.708,24 1.511,25 0.127,27 1.114,28 52.6,29 1.863,31 5.438,32 0.735,35 4.985,36 4,37 8.67,38 5.062,39 199.421,40 38,41 1.841,42 3,43 1,44 0.035,45 0.6,46 1.144,47 0.724,48 10,49 0.932,50 11.476,51 5.037,52 3.74,53 22,54 4.524,55 3.736,56 2,57 3.706,58 1.114,59 52.821,60 66.542,61 2.651,62 4.84,63 51.582,64 0.7,65 7.288,66 10.557,67 1.339,68 1.062,69 1,70 1,71 6.31}
{0 CHEMBL602100,1 1,2 8.878,3 0.036,7 21.461,8 -0.054,9 0.056,10 4.773,11 0.92,12 0.672,13 0.695,14 224.311,15 1.715,16 201.811,17 1.777,18 17.811,19 1,20 244.311,21 1.78,22 5,23 1.684,24 1.55,25 0.133,27 1.118,28 46.8,29 1.851,30 1,31 5.69,32 0.803,33 1,34 0.23,35 5.198,36 7,37 8.815,38 5.181,39 261.066,40 47,41 1.81,42 4,43 3,44 0.027,45 0.6,46 1.181,47 0.696,48 10,49 0.939,50 14.598,51 5.241,52 3.737,53 23,54 4.585,55 3.732,56 2,57 3.725,58 1.139,59 67.775,60 68.367,61 2.677,62 5.046,63 68.367,64 0.679,65 7.476,66 14.711,67 1.811,68 1.128,69 2,70 2,71 6.201}
{0 CHEMBL602183,1 1,2 4.407,3 0.115,7 20.1,8 0.034,9 0.097,10 4.619,11 0.765,12 0.66,13 0.624,14 180.131,15 1.739,16 174.395,17 1.699,18 14.706,19 1,20 204.131,21 1.71,22 5,23 1.708,24 1.512,25 0.124,27 1.116,28 51.3,29 1.862,31 5.493,32 0.712,35 5.234,36 5,37 8.709,38 5.099,39 206.131,40 39,41 1.838,42 3,43 1,44 0.007,45 0.4,46 1.123,47 0.717,48 9,49 0.926,50 10.923,51 5.285,52 3.74,53 22,54 4.524,55 3.736,56 2,57 3.729,58 1.111,59 55.41,60 66.542,61 2.68,62 4.891,63 51.582,64 0.701,65 7.315,66 10.147,67 1.542,68 1.069,69 1,70 1,71 6.143}
{0 CHEMBL602648,1 1,2 4.416,3 0.068,5 2,7 24.279,8 0.057,9 0.048,10 4.566,11 0.862,12 0.667,13 0.683,14 210.045,15 1.754,16 201.251,17 1.765,18 19.529,19 1,20 234.574,21 1.809,22 5,23 1.725,24 1.563,25 0.129,27 1.116,28 47.8,29 1.882,31 5.724,32 0.78,35 5.099,36 8,37 8.888,38 5.241,39 254.084,40 46,41 1.846,42 4,43 2,44 0.046,45 0.4,46 1.181,47 0.705,48 12,49 0.949,50 14.852,51 5.203,52 3.741,53 25,54 4.7,55 3.737,56 2,57 3.73,58 1.167,59 72.397,60 57.252,61 2.685,62 5.077,63 57.252,64 0.698,65 7.546,66 12.635,67 1.824,68 1.343,69 1,70 1,71 6.678}
{0 CHEMBL602788,1 1,2 8.633,3 0.043,7 18.677,8 -0.042,9 0.059,10 4.313,11 0.818,12 0.674,13 0.553,14 159.589,15 1.725,16 190.678,17 1.688,18 12.272,19 1,20 179.995,21 1.699,22 5,23 1.688,24 1.492,25 0.132,27 1.11,28 51.4,29 1.858,31 5.394,32 0.747,35 4.865,36 4,37 8.619,38 5.033,39 192.75,40 37,41 1.831,42 4,43 1,44 0.052,45 0.6,46 1.143,47 0.725,48 8,49 0.889,50 11.165,51 4.993,52 3.733,53 22,54 4.524,55 3.726,56 2,57 3.697,58 1.113,59 48.995,60 68.367,61 2.641,62 4.8,63 68.367,64 0.695,65 7.269,66 10.979,67 1.275,68 1.062,69 2,70 2,71 5.886}
{0 CHEMBL602842,1 1,2 8.203,3 0.02,7 18.644,8 -0.079,9 0.057,10 4.415,11 0.887,12 0.702,13 0.737,14 132.452,15 1.57,16 147.871,17 1.449,18 11.861,19 1,20 140.452,21 1.494,22 4,23 1.51,24 1.19,25 0.182,27 1.156,28 46.7,29 1.776,31 5.182,32 0.753,35 4.682,36 7,37 8.26,38 4.857,39 147.207,40 30,41 1.692,42 4,43 2,45 0.4,46 0.903,47 0.696,48 5,49 0.72,50 5.011,51 4.748,52 3.352,53 16,54 4.087,55 3.306,56 1,57 3.727,58 0.609,59 43.77,60 113.248,61 2.637,62 4.636,63 68.367,64 0.711,65 7.091,66 7.053,67 1.175,68 1.022,69 2,70 2,71 5.301}
{0 CHEMBL603048,2 13.627,3 0.064,7 2.667,8 -0.052,9 0.062,10 4.568,11 0.712,12 0.68,13 0.511,14 164.466,15 1.733,16 174.307,17 1.617,18 3.758,19 1,20 184.117,21 1.632,22 5,23 1.703,24 1.467,25 0.117,27 1.106,28 52.8,29 1.858,31 5.493,32 0.659,35 5.114,36 6,37 9.563,38 5.284,39 186.117,40 36,41 1.819,42 4,44 -0.005,45 0.4,46 1.106,47 0.761,48 7,49 0.91,50 7.577,51 5.17,52 3.729,53 26,54 4.755,55 3.722,56 2,57 3.727,58 1.077,59 55.41,60 67.142,61 2.669,62 4.663,63 67.142,64 0.743,65 7.934,66 6.415,67 1.48,68 1.057,69 3,70 3,71 6.796}
{0 CHEMBL603432,1 1,2 4.47,3 0.048,7 18.296,8 -0.019,9 0.061,10 4.368,11 0.924,12 0.65,13 0.552,14 161.63,15 1.666,16 151.31,17 1.638,18 10.674,19 1,20 173.24,21 1.629,22 4,23 1.612,24 1.414,25 0.151,27 1.119,28 45.9,29 1.838,31 5.112,32 0.868,35 4.682,36 3,37 8.221,38 4.841,39 192.75,40 37,41 1.823,42 3,43 4,44 0.06,45 0.8,46 1.143,47 0.685,48 6,49 0.918,50 12.727,51 4.736,52 3.53,53 16,54 4.087,55 3.54,56 1,57 3.641,58 1.111,59 40.905,60 51.582,61 2.582,62 4.928,63 51.582,64 0.642,65 7.054,66 14.367,67 1.153,68 1.097,69 1,70 1,71 5.699}
{0 CHEMBL604037,1 1,2 8.961,3 0.043,7 18.677,8 -0.042,9 0.059,10 4.071,11 0.818,12 0.674,13 0.553,14 150.611,15 1.714,16 190.678,17 1.701,18 12.272,19 1,20 175.14,21 1.706,22 5,23 1.679,24 1.513,25 0.132,27 1.11,28 51.4,29 1.851,31 5.394,32 0.747,35 4.734,36 4,37 8.619,38 5.033,39 192.75,40 37,41 1.792,42 4,43 1,44 0.052,45 0.6,46 1.138,47 0.725,48 10,49 0.913,50 10.202,51 4.993,52 3.737,53 22,54 4.524,55 3.732,56 2,57 3.697,58 1.058,59 48.995,60 68.367,61 2.641,62 4.81,63 68.367,64 0.695,65 7.269,66 10.964,67 1.275,68 1.062,69 2,70 2,71 5.42}
{0 CHEMBL604038,1 1,2 8.766,3 0.092,7 20.1,8 -0.019,9 0.086,10 4.678,11 0.792,12 0.68,13 0.649,14 177.77,15 1.711,16 180.847,17 1.697,18 14.706,19 1,20 197.421,21 1.709,22 5,23 1.678,24 1.51,25 0.124,27 1.122,28 50,29 1.848,31 5.493,32 0.712,35 5.195,36 6,37 8.709,38 5.099,39 199.421,40 38,41 1.783,42 4,43 1,44 0.005,45 0.4,46 1.117,47 0.716,48 8,49 0.895,50 9.184,51 5.248,52 3.737,53 22,54 4.524,55 3.732,56 2,57 3.729,58 1.055,59 55.41,60 83.327,61 2.68,62 4.871,63 68.367,64 0.706,65 7.315,66 9.296,67 1.542,68 1.068,69 2,70 2,71 6.699}
{0 CHEMBL604245,1 1,2 4.511,3 0.024,7 23.328,8 -0.024,9 0.052,10 4.457,11 0.881,12 0.66,13 0.591,14 187.193,15 1.742,16 190.877,17 1.709,18 16.586,19 1,20 211.722,21 1.72,22 5,23 1.711,24 1.516,25 0.123,27 1.11,28 50,29 1.865,31 5.464,32 0.796,35 5.041,36 4,37 8.695,38 5.081,39 226.477,40 42,41 1.843,42 3,43 2,44 0.059,45 0.6,46 1.181,47 0.71,48 13,49 0.941,50 13.249,51 5.089,52 3.74,53 22,54 4.524,55 3.736,56 2,57 3.709,58 1.143,59 56.903,60 51.582,61 2.655,62 4.92,63 51.582,64 0.678,65 7.307,66 14.164,67 1.356,68 1.097,69 1,70 1,71 7.377}
{0 CHEMBL604246,1 1,2 4.482,3 -0.024,7 22.152,8 -0.042,9 0.071,10 4.566,11 1.063,12 0.652,13 0.716,14 210.045,15 1.762,16 201.102,17 1.839,18 17.145,19 1,20 234.574,21 1.807,22 5,23 1.754,24 1.663,25 0.135,27 1.114,28 45.7,29 1.91,31 5.537,32 0.805,35 5.099,36 7,37 8.749,38 5.111,39 254.084,40 46,41 1.844,42 4,43 2,44 0.199,45 0.6,46 1.181,47 0.715,48 13,49 1.005,50 14.281,51 5.203,52 3.742,53 24,54 4.644,55 3.766,56 2,57 3.821,58 1.144,59 69.842,60 67.987,61 2.8,62 5.01,63 67.987,64 0.682,65 7.362,66 18.022,67 1.566,68 1.105,69 1,70 1,71 5.678}
{0 CHEMBL604274,1 1,2 4.489,3 0.045,7 18.296,8 -0.02,9 0.058,10 4.494,11 0.955,12 0.643,13 0.592,14 179.758,15 1.695,16 153.845,17 1.71,18 10.674,19 1,20 191.367,21 1.704,22 4,23 1.643,24 1.498,25 0.144,27 1.12,28 45,29 1.856,30 1,31 5.17,32 0.901,34 1.107,35 4.784,36 3,37 8.238,38 4.841,39 212.877,40 40,41 1.848,42 3,43 5,44 0.061,45 0.8,46 1.158,47 0.678,48 6,49 0.996,50 13.809,51 4.834,52 3.578,53 16,54 4.087,55 3.593,56 1,57 3.555,58 1.138,59 44.488,60 51.582,61 2.505,62 5.008,63 51.582,64 0.632,65 7.054,66 16.019,67 1.185,68 1.099,69 1,70 1,71 5.469}
{0 CHEMBL604481,1 1,2 4.555,3 0.064,7 18.296,8 0.008,9 0.074,10 4.242,11 0.938,12 0.652,13 0.65,14 186.631,15 1.745,16 146.332,17 1.731,18 10.674,19 1,20 210.705,21 1.734,22 5,23 1.706,24 1.533,25 0.129,27 1.119,28 45.5,29 1.876,30 5,31 5.394,32 0.89,34 6.751,35 4.789,36 3,37 8.339,38 4.902,39 240.215,40 44,41 1.861,42 3,43 7,44 0.073,45 0.8,46 1.259,47 0.679,48 6,49 1.084,50 16.075,51 4.959,52 3.727,53 16,54 4.087,55 3.729,56 2,57 3.697,58 1.143,59 48.995,60 51.582,61 2.643,62 5.147,63 51.582,64 0.632,65 7.117,66 18.435,67 1.266,68 1.2,69 1,70 1,71 5.538}
{0 CHEMBL604578,2 13.621,3 0.03,7 1.471,8 -0.105,9 0.047,10 4.669,11 0.956,12 0.67,13 0.587,14 177.421,15 1.657,16 146.796,17 1.663,18 4.716,19 1,20 189.421,21 1.669,22 4,23 1.601,24 1.476,25 0.134,27 1.124,28 44.7,29 1.846,30 4,31 5.182,32 0.857,33 1,34 2.724,35 4.985,36 5,37 9.169,38 5.068,39 199.421,40 38,41 1.832,42 4,43 4,44 0.037,45 0.8,46 1.139,47 0.685,48 6,49 0.997,50 9.886,51 5.037,52 3.546,53 20,54 4.392,55 3.551,56 1,57 3.495,58 1.077,59 48.632,60 67.142,61 2.429,62 4.751,63 67.142,64 0.657,65 7.68,66 13.56,67 1.234,68 1.096,69 3,70 3,71 6.398}
{0 CHEMBL604695,1 1,2 4.517,3 0.064,7 19.236,8 0.019,9 0.068,10 4.167,11 0.822,12 0.646,13 0.57,14 170.831,15 1.771,16 186.761,17 1.758,18 12.891,19 1,20 200.05,21 1.762,22 5,23 1.74,24 1.571,25 0.124,27 1.107,28 51.2,29 1.886,30 1,31 5.357,32 0.78,34 0.941,35 4.879,36 3,37 8.483,38 5.026,39 219.66,40 41,41 1.872,42 3,43 2,44 0.056,45 0.6,46 1.181,47 0.716,48 11,49 1.004,50 13.024,51 5.114,52 3.741,53 22,54 4.524,55 3.739,56 2,57 3.629,58 1.142,59 53.394,60 51.582,61 2.594,62 4.927,63 51.582,64 0.677,65 7.159,66 13.673,67 1.365,68 1.096,69 1,70 1,71 6}
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{0 CHEMBL606355,1 1,2 4.433,3 0.068,7 18.059,8 0.01,9 0.071,10 4.287,11 0.789,12 0.656,13 0.604,14 162.892,15 1.741,16 183.871,17 1.701,18 12.549,19 1,20 191.421,21 1.708,22 5,23 1.709,24 1.514,25 0.129,27 1.114,28 52.6,29 1.864,31 5.451,32 0.735,35 5.037,36 4,37 8.659,38 5.071,39 199.421,40 38,41 1.844,42 3,43 1,44 0.035,45 0.6,46 1.129,47 0.724,48 10,49 0.935,50 11.131,51 5.248,52 3.739,53 22,54 4.524,55 3.736,56 2,57 3.725,58 1.111,59 51.584,60 66.542,61 2.673,62 4.85,63 51.582,64 0.7,65 7.297,66 10.557,67 1.478,68 1.068,69 1,70 1,71 6.658}
{0 CHEMBL607707,1 1,2 4.357,3 -0.064,5 1,7 40.331,8 -0.156,9 -0.012,10 5.095,11 1.027,12 0.644,13 0.876,14 285.338,15 1.702,16 250.032,17 1.765,18 30.281,19 1,20 298.947,21 1.76,22 3,23 1.652,24 1.553,25 0.116,26 1.931,27 1.131,28 42.9,29 1.908,30 2,31 5.136,32 0.918,33 2,34 1.007,35 5.338,36 9,37 8.264,38 5.058,39 325.212,40 56,41 1.903,42 5,43 5,44 0.017,45 0.8,46 1.417,47 0.685,48 17,49 1.035,50 13.507,51 5.338,52 3.605,53 20,54 4.392,55 3.595,56 2,57 3.697,58 1.258,60 101.951,61 2.554,62 5.142,63 86.991,64 0.661,65 7.153,66 19.526,67 2.23,68 1.3,69 1,70 1,71 5.35}
{0 CHEMBL608154,2 8.297,3 -0.022,5 2,7 14.608,8 -0.122,9 0.021,10 4.717,11 0.891,12 0.673,13 0.605,14 193.395,15 1.811,16 184.705,17 1.547,18 12.855,19 1,20 208.15,21 1.54,22 4,23 1.775,24 1.229,25 0.125,27 1.118,28 46.3,29 1.947,31 5.159,32 0.793,35 5.077,36 7,37 8.49,38 5.134,39 219.66,40 41,41 1.886,42 4,43 2,44 0.015,45 0.4,46 1.275,47 0.716,48 7,49 0.976,50 8.973,51 5.126,52 3.593,53 22,54 4.524,55 3.584,56 2,57 3.758,58 1.003,59 156.923,60 68.367,61 2.655,62 4.76,63 68.367,64 0.695,65 7.417,66 12.328,67 1.514,68 1.31,69 2,70 2,71 5}
{0 CHEMBL608999,1 1,2 4.441,3 0.093,7 18.296,8 0.013,9 0.082,10 4.627,11 0.901,12 0.655,13 0.568,14 175.812,15 1.657,16 138.729,17 1.671,18 11.753,19 1,20 191.421,21 1.673,22 4,23 1.603,24 1.445,25 0.144,27 1.121,28 44.7,29 1.837,30 3,31 5.153,32 0.844,33 1,34 1.89,35 5.037,36 4,37 8.227,38 4.841,39 199.421,40 38,41 1.821,42 3,43 4,44 0.031,45 0.8,46 1.14,47 0.679,48 8,49 0.963,50 12.065,51 5.09,52 3.51,53 16,54 4.087,55 3.517,56 1,57 3.501,58 1.096,59 44.806,60 51.582,61 2.445,62 4.86,63 51.582,64 0.644,65 7.044,66 14.332,67 1.198,68 1.094,69 1,70 1,71 5.62}
{0 CHEMBL91829,3 -0.066,5 1,7 21.51,8 -0.211,9 0.003,10 4.533,11 1.083,12 0.679,13 0.931,14 285.549,15 1.787,16 180.661,17 1.841,18 21.829,19 2,20 313.059,21 1.842,22 6,23 1.746,24 1.661,25 0.096,26 2.154,27 1.121,28 44.4,29 1.961,30 5,31 5.805,32 0.943,33 4,34 3.644,35 4.969,36 7,37 8.906,38 5.346,39 376.569,40 63,41 1.959,42 4,43 8,44 0.075,45 0.8,46 1.467,47 0.675,48 23,49 1.173,50 25.88,51 5.223,52 3.653,53 23,54 4.585,55 3.632,56 1,57 3.918,58 1.417,59 139.797,60 24.933,61 2.866,62 5.47,63 24.933,64 0.644,65 7.643,66 25.693,67 2.249,68 1.61,71 5}
{0 CHEMBL939,1 1,2 8.666,3 -0.139,5 2,7 41.089,8 -0.241,9 -0.038,10 4.774,11 1.16,12 0.685,13 0.856,14 262.591,15 1.754,16 177.128,17 1.75,18 28.856,19 1,20 287.22,21 1.742,22 4,23 1.691,24 1.507,25 0.098,26 2.369,27 1.136,28 40,29 1.945,30 7,31 4.898,32 0.989,33 6,34 5.899,35 5.222,36 9,37 7.846,38 4.936,39 317.975,40 55,41 1.923,42 4,43 8,44 0.04,45 1,46 1.391,47 0.665,48 20,49 1.069,50 13.425,51 5.222,52 3.621,53 17,54 4.17,55 3.61,56 3,57 3.569,58 1.258,60 69.666,61 2.43,62 5.131,63 54.706,64 0.641,65 6.814,66 22.65,67 2.123,68 1.376,69 2,70 2,71 5.4}
{0 CHEMBL941,1 1,2 13.135,3 -0.075,4 1,5 1,7 48.345,8 -0.243,9 -0.009,10 4.69,11 1.104,12 0.669,13 1.057,14 318.954,15 1.877,16 269.898,17 1.946,18 30.255,19 1,20 358.928,21 1.936,22 5,23 1.846,24 1.752,25 0.087,26 4.8,27 1.128,28 42.6,29 1.994,30 5,31 4.997,32 0.972,33 5,34 5.237,35 5.278,36 8,37 7.753,38 5.103,39 413.947,40 68,41 1.979,42 7,43 7,44 0.063,45 0.8,46 1.546,47 0.671,48 23,49 1.125,50 15.945,51 5.506,52 3.816,53 25,54 4.7,55 3.814,56 5,57 3.787,58 1.513,60 92.627,61 2.765,62 5.466,63 92.627,64 0.635,65 6.701,66 26.501,67 2.27,68 1.48,69 3,70 3,71 5.35}
{0 CHEMBL95692,2 13.252,3 -0.119,4 1,7 22.813,8 -0.242,9 -0.025,10 4.646,11 1.166,12 0.692,13 0.788,14 213.719,15 1.728,16 180.44,17 1.579,18 18.59,19 1,20 221.329,21 1.6,22 4,23 1.682,24 1.309,25 0.115,27 1.138,28 41.3,29 1.894,30 4,31 5.004,32 0.981,33 2,34 3.991,35 4.811,36 7,37 7.779,38 4.851,39 254.084,40 46,41 1.83,42 5,43 6,44 0.064,45 0.8,46 1.297,47 0.663,48 13,49 0.872,50 12.268,51 4.811,52 3.629,53 17,54 4.17,55 3.618,56 4,57 3.55,58 1.181,60 85.227,61 2.448,62 4.99,63 70.266,64 0.64,65 6.772,66 18.097,67 1.306,68 1.376,69 3,70 3,71 5.8}