"molecule_id","Eta_alpha_A","Mi","ATSC1e","P_VSA_i_4","BIC1","C.031","IC1","Eta_betaS_A","BIC2","P_VSA_v_2","SAacc","Mp","ATSC3e","P_VSA_e_2","P_VSA_p_3","P_VSA_v_3","SsssCH","Me","PW5","P_VSA_s_6","nHet","BLI","X1Av","ATSC5e","P_VSA_LogP_5","SpAD_EA.dm.","SpDiam_EA.ed.","MATS3e","Eta_epsi_A","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","pXC50"
{1 0.465,2 1.1,3 0.115,5 0.564,7 2.982,8 0.618,9 0.713,10 121.512,11 121.512,12 0.711,13 0.348,14 97.801,15 97.801,16 97.801,18 1.025,19 0.102,20 121.512,21 4,22 0.814,23 0.271,24 0.367,25 25.8,26 1.72,27 18.336,28 0.015,29 0.668,30 1.416,31 7.684,32 2.332,33 5.438,34 69.128,35 8.767,36 0.571,37 3.517,38 3.573,39 3.201,40 3.121,41 4.842,42 3.138,43 3.936,44 4.005,45 3.57,46 3.488,47 5.254,48 3.5,49 4.213,50 4.32,51 3.692,52 3.581,53 5.658,54 3.591,55 4.224,56 4.356,57 3.501,58 3.439,59 5.641,60 3.435,61 4.054,62 4.22,63 3.26,64 3.25,65 5.35,66 7.42}
{0 CHEMBL1161326,1 0.445,2 1.131,3 0.176,4 14.96,5 0.69,7 3.204,8 0.577,9 0.836,10 125.472,11 125.472,12 0.667,13 0.439,14 60.598,15 60.598,16 60.598,18 1.051,19 0.081,20 125.472,21 4,22 0.805,23 0.268,24 0.349,25 12.307,26 2.873,27 14.944,28 -0.206,29 0.731,30 1.675,31 6.231,32 1.84,33 3.387,34 45.046,35 9.108,36 0.462,37 3.12,38 3.184,39 2.786,40 2.634,41 4.593,42 2.673,43 3.474,44 3.552,45 3.104,46 2.903,47 5.181,48 2.935,49 3.72,50 3.86,51 3.043,52 2.911,53 5.248,54 2.931,55 3.637,56 3.822,57 2.833,58 2.68,59 5.274,60 2.679,61 3.369,62 3.573,63 2.592,64 2.386,65 4.857,66 5.585}
{0 CHEMBL1214684,1 0.471,2 1.122,3 0.001,5 0.541,7 3.417,8 0.64,9 0.756,10 106.942,11 106.942,12 0.642,13 0.378,14 133.106,15 133.106,16 133.106,17 -1.121,18 1,19 0.124,20 106.942,21 6,22 0.962,23 0.321,24 0.719,25 23.693,26 14.984,27 31.442,28 -0.034,29 0.568,30 1.336,31 9.088,32 3.049,33 9.296,34 124.421,35 6.862,36 0.128,37 4.317,38 4.418,39 3.825,40 3.872,41 5.304,42 3.837,43 4.961,44 5.119,45 4.33,46 4.398,47 5.872,48 4.35,49 5.368,50 5.519,51 4.599,52 4.745,53 6.33,54 4.674,55 5.737,56 5.947,57 4.683,58 4.952,59 6.605,60 4.837,61 5.845,62 6.078,63 4.675,64 4.954,65 6.755,66 5.222}
{0 CHEMBL1253185,1 0.515,2 1.112,3 0.037,4 52.807,5 0.583,7 2.99,8 0.632,9 0.736,10 52.807,11 52.807,12 0.762,13 0.19,14 129.443,15 168.592,16 168.592,18 1.009,19 0.087,20 101.126,21 5,22 0.963,23 0.321,24 0.175,25 15.305,26 4.019,27 14.828,28 -0.101,29 0.632,30 1.755,31 7.882,32 3.475,33 12.075,34 73.444,35 9.769,36 0.667,37 3.402,38 3.514,39 3.198,40 3.052,41 4.599,42 3.012,43 3.818,44 3.951,45 3.566,46 3.364,47 5.041,48 3.3,49 4.037,50 4.231,51 3.58,52 3.443,53 5.164,54 3.32,55 3.903,56 4.105,57 3.489,58 3.307,59 5.047,60 3.149,61 3.724,62 3.906,63 3.579,64 3.248,65 4.967,66 5.99}
{0 CHEMBL1253380,1 0.49,2 1.1,3 0.057,4 33.326,5 0.518,7 2.782,8 0.613,9 0.694,10 69.471,11 69.471,12 0.754,13 0.234,14 143.52,15 143.52,16 143.52,18 1.016,19 0.084,20 69.471,21 5,22 0.935,23 0.312,24 0.272,25 16.942,26 3.349,27 15.284,28 0.106,29 0.653,30 1.713,31 9.35,32 4.083,33 16.674,34 78.981,35 9.411,36 0.773,37 3.533,38 3.605,39 3.363,40 3.223,41 4.79,42 3.188,43 3.955,44 4.042,45 3.689,46 3.549,47 5.258,48 3.492,49 4.114,50 4.27,51 3.624,52 3.462,53 5.329,54 3.421,55 3.993,56 4.151,57 3.442,58 3.27,59 5.355,60 3.267,61 3.888,62 4.05,63 3.361,64 3.217,65 5.205,66 7.301}
{0 CHEMBL1253381,1 0.518,2 1.116,3 0.065,4 69.348,5 0.625,7 3.084,8 0.633,9 0.738,10 69.348,11 69.348,12 0.776,13 0.149,14 134.613,15 134.613,16 134.613,18 1.014,19 0.073,20 78.518,21 6,22 1.036,23 0.345,24 0.131,25 3.257,26 4.019,27 13.388,28 -0.145,29 0.654,30 1.805,31 7.2,32 1.896,33 3.594,34 67.324,35 10.276,36 0.688,37 3.272,38 3.386,39 3.181,40 2.936,41 4.502,42 2.872,43 3.66,44 3.784,45 3.54,46 3.204,47 4.883,48 3.13,49 3.759,50 3.959,51 3.209,52 3.175,53 4.823,54 3.021,55 3.655,56 3.868,57 3.44,58 3.113,59 4.771,60 2.925,61 3.498,62 3.684,63 3.236,64 3.013,65 4.703,66 6.45}
{0 CHEMBL1253382,1 0.484,2 1.118,3 0.047,4 16.786,5 0.644,7 3.356,8 0.632,9 0.784,10 62.438,11 62.438,12 0.686,13 0.238,14 104.533,15 104.533,16 104.533,18 1.015,19 0.087,20 62.438,21 5,22 1.052,23 0.351,24 0.246,25 26.037,26 11.353,27 15.743,28 -0.009,29 0.626,30 1.711,31 8.647,32 4.195,33 17.599,34 65.269,35 8.378,36 0.556,37 3.507,38 3.588,39 3.236,40 3.08,41 4.639,42 3.039,43 4.021,44 4.156,45 3.65,46 3.353,47 5.207,48 3.314,49 4.124,50 4.341,51 3.434,52 3.348,53 5.111,54 3.25,55 4.036,56 4.22,57 3.379,58 3.193,59 5.294,60 3.09,61 3.734,62 3.882,63 3.194,64 3.015,65 4.899,66 6.824}
{0 CHEMBL1253383,1 0.522,2 1.103,3 0.143,4 20.625,5 0.584,7 3.065,8 0.6,9 0.71,10 82.134,11 82.134,12 0.772,13 0.455,14 100.633,15 185.736,16 185.736,18 1.036,19 0.082,20 100.657,21 6,22 0.966,23 0.322,24 0.534,25 24.146,26 7.056,27 16.147,28 0.057,29 0.695,30 1.872,31 9.4,32 3.932,33 15.458,34 78.155,35 12.227,36 0.571,37 3.489,38 3.552,39 3.469,40 3.158,41 4.799,42 3.141,43 3.913,44 3.986,45 3.887,46 3.501,47 5.316,48 3.461,49 4.144,50 4.262,51 4.043,52 3.576,53 5.56,54 3.507,55 4.08,56 4.2,57 3.989,58 3.277,59 5.569,60 3.267,61 3.843,62 3.975,63 3.512,64 2.943,65 5.438,66 5.465}
{0 CHEMBL1253491,1 0.467,2 1.119,3 0.081,4 34.98,5 0.588,7 3.148,8 0.632,9 0.687,10 71.125,11 69.348,12 0.699,13 0.205,14 104.115,15 104.115,16 104.115,18 1.016,19 0.105,20 69.348,21 5,22 0.827,23 0.276,24 0.303,25 23.35,26 3.68,27 18.732,28 0.011,29 0.644,30 1.637,31 7.158,32 3.073,33 9.442,34 71.766,35 8.443,36 0.762,37 3.541,38 3.641,39 3.225,40 3.1,41 4.786,42 3.112,43 4.001,44 4.131,45 3.554,46 3.437,47 5.2,48 3.444,49 4.138,50 4.293,51 3.618,52 3.478,53 5.408,54 3.487,55 4.172,56 4.332,57 3.573,58 3.377,59 5.57,60 3.4,61 4.065,62 4.244,63 3.358,64 3.276,65 5.372,66 4.914}
{0 CHEMBL1253492,1 0.502,2 1.122,3 0.084,4 35.225,5 0.709,7 3.638,8 0.647,9 0.843,10 71.37,11 69.471,12 0.724,13 0.24,14 121.849,15 121.849,16 121.849,18 1.023,19 0.073,20 69.471,21 7,22 1.119,23 0.373,24 0.351,25 13.592,26 11.83,27 17.645,28 -0.074,29 0.66,30 1.949,31 7.824,32 2.282,33 5.209,34 70.957,35 9.621,36 0.556,37 3.459,38 3.547,39 3.36,40 3.075,41 4.657,42 3.003,43 3.94,44 4.086,45 3.706,46 3.396,47 5.109,48 3.3,49 3.893,50 4.01,51 3.703,52 3.334,53 5.092,54 3.24,55 3.965,56 4.136,57 3.521,58 3.323,59 5.115,60 3.209,61 3.936,62 4.122,63 3.453,64 3.305,65 5.085,66 4.639}
{0 CHEMBL1253493,1 0.444,2 1.136,3 0.259,4 62.874,5 0.695,7 3.658,8 0.697,9 0.776,10 133.089,11 127.419,12 0.68,13 0.527,14 67.001,15 67.001,16 67.001,18 1.055,19 0.086,20 109.408,21 8,22 0.773,23 0.258,24 0.726,25 29.27,26 6.539,27 18.434,28 -0.054,29 0.754,30 1.864,31 7.895,32 2.082,33 4.333,34 66.657,35 9.638,36 0.714,37 3.506,38 3.587,39 3.273,40 2.948,41 4.886,42 3.017,43 3.94,44 4.042,45 3.594,46 3.301,47 5.403,48 3.367,49 4.066,50 4.224,51 3.52,52 3.273,53 5.324,54 3.315,55 4.114,56 4.276,57 3.548,58 3.182,59 5.556,60 3.253,61 4.013,62 4.194,63 3.302,64 3.015,65 5.484,66 4.219}
{0 CHEMBL1253544,1 0.455,2 1.122,3 0.133,4 31.059,5 0.726,7 3.723,8 0.588,9 0.829,10 152.571,11 152.571,12 0.665,13 0.361,14 81.487,15 81.487,16 81.487,18 1.03,19 0.084,20 152.571,21 5,22 0.863,23 0.288,24 0.325,25 48.43,26 7.418,27 15.502,28 -0.164,29 0.667,30 1.626,31 7.706,32 1.806,33 3.263,34 61.019,35 8.33,36 0.353,37 3.427,38 3.5,39 3.035,40 2.927,41 4.824,42 2.949,43 3.837,44 3.953,45 3.324,46 3.205,47 5.237,48 3.214,49 4.049,50 4.192,51 3.395,52 3.27,53 5.484,54 3.287,55 4.029,56 4.173,57 3.313,58 3.184,59 5.688,60 3.188,61 3.905,62 4.063,63 3.173,64 3.094,65 5.363,66 4.207}
{0 CHEMBL1253546,1 0.455,2 1.136,3 0.149,4 46.706,5 0.678,7 3.573,8 0.618,9 0.815,10 98.896,11 98.896,12 0.679,13 0.652,14 106.627,15 106.627,16 106.627,18 1.036,19 0.079,20 98.896,21 5,22 0.827,23 0.276,24 0.415,25 47.292,26 1.2,27 14.999,28 -0.141,29 0.692,30 1.728,31 9.421,32 3.175,33 10.083,34 68.211,35 8.775,36 0.55,37 3.523,38 3.607,39 3.196,40 3.055,41 4.872,42 3.081,43 3.952,44 4.074,45 3.537,46 3.333,47 5.354,48 3.369,49 4.145,50 4.301,51 3.504,52 3.299,53 5.646,54 3.332,55 4.052,56 4.233,57 3.324,58 3.166,59 5.647,60 3.164,61 3.87,62 4.081,63 3.039,64 3.035,65 5.19,66 4.24}
{0 CHEMBL1254441,1 0.488,2 1.143,3 0.364,4 83.876,5 0.752,7 3.93,8 0.63,9 0.8,10 178.936,11 173.266,12 0.806,13 1.096,14 148.518,15 148.518,16 148.518,18 1.119,19 0.075,20 211.83,21 14,22 1.111,23 0.37,24 1.156,25 50.739,26 25.253,27 24.056,28 0.271,29 0.962,30 2.457,31 8.652,32 4.881,33 23.82,34 85.356,35 14.942,36 0.458,37 3.512,38 3.518,39 3.829,40 3.242,41 4.968,42 3.177,43 4.014,44 4.014,45 4.435,46 3.592,47 6.175,48 3.553,49 4.129,50 4.154,51 4.237,52 3.566,53 6.365,54 3.556,55 4.11,56 4.166,57 4.13,58 3.488,59 5.846,60 3.482,61 4.12,62 4.209,63 4.099,64 3.344,65 5.873,66 5.022}
{0 CHEMBL1255900,1 0.475,2 1.107,3 0.014,4 3.124,5 0.518,7 2.698,8 0.647,9 0.62,10 39.269,11 39.269,12 0.704,13 0.087,14 105.34,15 105.34,16 105.34,18 1.006,19 0.108,20 36.145,21 3,22 0.863,23 0.288,24 0.149,25 22.186,26 6.505,27 17.863,28 -0.009,29 0.612,30 1.473,31 7.059,32 3.13,33 9.794,34 63.993,35 8.045,36 0.632,37 3.46,38 3.549,39 3.11,40 3.065,41 4.621,42 3.059,43 3.949,44 4.071,45 3.464,46 3.427,47 5.157,48 3.402,49 4.136,50 4.31,51 3.41,52 3.475,53 5.193,54 3.42,55 4.152,56 4.358,57 3.225,58 3.331,59 5.23,60 3.268,61 3.936,62 4.128,63 3.144,64 3.177,65 5.155,66 4.678}
{0 CHEMBL1255974,1 0.47,2 1.115,3 0.024,4 3.124,5 0.587,7 3.206,8 0.65,9 0.756,10 50.269,11 50.269,12 0.677,13 0.129,14 114.525,15 114.525,16 114.525,18 1.008,19 0.109,20 47.145,21 4,22 0.873,23 0.291,24 0.301,25 41.615,26 8.225,27 17.919,28 -0.081,29 0.606,30 1.49,31 7.95,32 3.599,33 12.956,34 75.497,35 7.695,36 0.545,37 3.67,38 3.762,39 3.274,40 3.213,41 4.813,42 3.211,43 4.185,44 4.33,45 3.635,46 3.575,47 5.34,48 3.561,49 4.314,50 4.459,51 3.63,52 3.68,53 5.402,54 3.636,55 4.447,56 4.654,57 3.497,58 3.626,59 5.477,60 3.552,61 4.326,62 4.535,63 3.441,64 3.51,65 5.429,66 5.538}
{0 CHEMBL1255975,1 0.468,2 1.113,3 0.055,4 3.124,5 0.613,7 3.284,8 0.645,9 0.756,10 81.952,11 81.952,12 0.686,13 0.16,14 98.398,15 98.398,16 98.398,18 1.012,19 0.108,20 78.828,21 4,22 0.859,23 0.286,24 0.305,25 25.371,26 6.505,27 17.919,28 -0.082,29 0.622,30 1.517,31 7.263,32 3.348,33 11.212,34 70.728,35 7.978,36 0.571,37 3.593,38 3.68,39 3.217,40 3.154,41 4.79,42 3.156,43 4.081,44 4.211,45 3.601,46 3.53,47 5.315,48 3.517,49 4.274,50 4.421,51 3.573,52 3.618,53 5.425,54 3.575,55 4.376,56 4.592,57 3.419,58 3.514,59 5.45,60 3.448,61 4.166,62 4.356,63 3.359,64 3.361,65 5.388,66 8}
{0 CHEMBL1256155,1 0.476,2 1.11,3 0.004,4 3.124,5 0.557,7 2.967,8 0.639,9 0.687,10 39.269,11 39.269,12 0.693,13 0.056,14 107.875,15 107.875,16 107.875,18 1.002,19 0.108,20 36.145,21 3,22 0.882,23 0.294,24 0.186,25 25.371,26 6.505,27 17.945,28 -0.02,29 0.595,30 1.447,31 7.611,32 3.616,33 13.074,34 69.034,35 7.719,36 0.6,37 3.547,38 3.643,39 3.161,40 3.144,41 4.679,42 3.129,43 4.052,44 4.192,45 3.527,46 3.515,47 5.213,48 3.481,49 4.225,50 4.392,51 3.489,52 3.592,53 5.276,54 3.527,55 4.314,56 4.536,57 3.329,58 3.474,59 5.341,60 3.392,61 4.104,62 4.303,63 3.25,64 3.299,65 5.261,66 5.469}
{0 CHEMBL1256233,1 0.468,2 1.113,3 0.055,4 3.124,5 0.613,7 3.284,8 0.645,9 0.756,10 81.952,11 81.952,12 0.686,13 0.16,14 98.398,15 98.398,16 98.398,18 1.012,19 0.105,20 78.828,21 4,22 0.859,23 0.286,24 0.351,25 25.371,26 6.505,27 17.946,28 -0.082,29 0.622,30 1.517,31 7.737,32 3.348,33 11.212,34 70.728,35 7.978,36 0.571,37 3.593,38 3.68,39 3.217,40 3.154,41 4.79,42 3.156,43 4.081,44 4.211,45 3.601,46 3.53,47 5.315,48 3.517,49 4.274,50 4.421,51 3.573,52 3.618,53 5.422,54 3.575,55 4.376,56 4.592,57 3.424,58 3.511,59 5.461,60 3.447,61 4.172,62 4.355,63 3.323,64 3.336,65 5.398,66 8.125}
{0 CHEMBL1256235,1 0.47,2 1.115,3 0.042,4 3.124,5 0.61,7 3.331,8 0.638,9 0.77,10 81.952,11 81.952,12 0.677,13 0.155,14 100.933,15 100.933,16 100.933,18 1.008,19 0.106,20 78.828,21 4,22 0.896,23 0.299,24 0.292,25 25.371,26 6.505,27 17.93,28 -0.045,29 0.606,30 1.49,31 7.8,32 3.805,33 14.475,34 75.329,35 7.695,36 0.545,37 3.669,38 3.763,39 3.263,40 3.227,41 4.832,42 3.219,43 4.172,44 4.313,45 3.637,46 3.606,47 5.359,48 3.578,49 4.383,50 4.556,51 3.631,52 3.702,53 5.477,54 3.647,55 4.447,56 4.654,57 3.497,58 3.626,59 5.514,60 3.552,61 4.326,62 4.535,63 3.446,64 3.503,65 5.469,66 5.602}
{0 CHEMBL1256306,1 0.462,2 1.116,3 0.1,4 3.124,5 0.623,7 3.358,8 0.663,9 0.749,10 92.952,11 92.952,12 0.679,13 0.274,14 102.514,15 102.514,16 102.514,18 1.022,19 0.11,20 89.828,21 5,22 0.836,23 0.279,24 0.41,25 38.429,26 8.225,27 17.949,28 -0.113,29 0.647,30 1.568,31 7.3,32 2.846,33 8.099,34 72.15,35 8.221,36 0.545,37 3.637,38 3.716,39 3.281,40 3.15,41 4.867,42 3.174,43 4.124,44 4.242,45 3.647,46 3.509,47 5.381,48 3.523,49 4.28,50 4.413,51 3.67,52 3.602,53 5.467,54 3.597,55 4.386,56 4.553,57 3.551,58 3.557,59 5.546,60 3.525,61 4.299,62 4.485,63 3.509,64 3.469,65 5.519,66 4.523}
{0 CHEMBL1256332,1 0.462,2 1.116,3 0.1,4 3.124,5 0.623,7 3.358,8 0.663,9 0.76,10 92.952,11 92.952,12 0.679,13 0.288,14 102.514,15 102.514,16 102.514,18 1.022,19 0.109,20 89.828,21 5,22 0.835,23 0.278,24 0.473,25 38.429,26 8.225,27 17.919,28 -0.135,29 0.647,30 1.568,31 7.95,32 2.846,33 8.099,34 72.15,35 8.221,36 0.545,37 3.637,38 3.716,39 3.281,40 3.15,41 4.866,42 3.174,43 4.124,44 4.242,45 3.647,46 3.509,47 5.386,48 3.523,49 4.28,50 4.413,51 3.64,52 3.601,53 5.466,54 3.588,55 4.371,56 4.555,57 3.509,58 3.538,59 5.507,60 3.496,61 4.261,62 4.448,63 3.464,64 3.421,65 5.502,66 4.585}
{0 CHEMBL1256370,1 0.464,2 1.119,3 0.071,4 18.084,5 0.58,7 3.022,8 0.653,9 0.698,10 54.229,11 54.229,12 0.702,13 0.282,14 104.985,15 104.985,16 104.985,18 1.025,19 0.111,20 51.105,21 4,22 0.835,23 0.278,24 0.38,25 31.307,26 6.505,27 17.917,28 -0.09,29 0.666,30 1.646,31 7.167,32 3.335,33 11.123,34 64.209,35 8.687,36 0.6,37 3.476,38 3.559,39 3.175,40 3.062,41 4.715,42 3.077,43 3.969,44 4.082,45 3.553,46 3.423,47 5.297,48 3.428,49 4.167,50 4.33,51 3.512,52 3.47,53 5.385,54 3.451,55 4.177,56 4.373,57 3.351,58 3.326,59 5.381,60 3.297,61 3.969,62 4.145,63 3.339,64 3.171,65 5.377,66 6}
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{0 CHEMBL1927061,1 0.457,2 1.129,3 0.104,4 19.4,5 0.619,7 3.271,8 0.639,9 0.765,10 77.763,11 77.763,12 0.641,13 0.513,14 83.117,15 83.117,16 83.117,17 -0.465,18 1.018,19 0.09,20 77.763,21 5,22 0.886,23 0.295,24 0.469,25 66.291,26 14.014,27 16.125,28 -0.024,29 0.623,30 1.568,31 7.778,32 1.448,33 2.098,34 65.288,35 7.554,36 0.316,37 3.605,38 3.694,39 3.177,40 3.061,41 4.786,42 3.07,43 4.13,44 4.286,45 3.484,46 3.379,47 5.21,48 3.39,49 4.233,50 4.367,51 3.542,52 3.458,53 5.49,54 3.455,55 4.271,56 4.43,57 3.445,58 3.455,59 5.446,60 3.422,61 4.337,62 4.571,63 3.185,64 3.382,65 5.269,66 4.451}
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{0 CHEMBL1927066,1 0.457,2 1.129,3 0.104,4 19.4,5 0.61,7 3.225,8 0.639,9 0.739,10 77.763,11 77.763,12 0.641,13 0.387,14 83.117,15 83.117,16 83.117,17 -0.227,18 1.018,19 0.083,20 77.763,21 5,22 0.895,23 0.298,24 0.427,25 61.047,26 13.124,27 15.542,28 -0.246,29 0.623,30 1.568,31 9.056,32 1.765,33 3.114,34 64.592,35 7.554,36 0.316,37 3.605,38 3.694,39 3.177,40 3.061,41 4.779,42 3.07,43 4.132,44 4.283,45 3.464,46 3.384,47 5.253,48 3.381,49 4.255,50 4.423,51 3.411,52 3.45,53 5.349,54 3.418,55 4.267,56 4.446,57 3.348,58 3.402,59 5.447,60 3.343,61 4.241,62 4.475,63 3.19,64 3.265,65 5.297,66 4.706}
{0 CHEMBL1927067,1 0.463,2 1.131,3 0.07,4 19.4,5 0.575,7 3.214,8 0.619,9 0.797,10 77.763,11 77.763,12 0.629,13 0.389,14 90.721,15 90.721,16 90.721,17 -0.226,18 1.006,19 0.081,20 77.763,21 5,22 0.989,23 0.33,24 0.461,25 61.047,26 13.124,27 15.544,28 -0.172,29 0.583,30 1.482,31 11.19,32 3.093,33 9.569,34 78.465,35 6.938,36 0.273,37 3.816,38 3.921,39 3.313,40 3.282,41 4.896,42 3.263,43 4.373,44 4.546,45 3.592,46 3.615,47 5.397,48 3.571,49 4.567,50 4.784,51 3.545,52 3.673,53 5.525,54 3.602,55 4.519,56 4.727,57 3.521,58 3.606,59 5.609,60 3.532,61 4.481,62 4.711,63 3.389,64 3.496,65 5.527,66 4.951}
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{0 CHEMBL199691,1 0.494,2 1.108,3 0.059,4 16.786,5 0.634,7 3.227,8 0.594,9 0.748,10 102.152,11 102.152,12 0.717,13 0.219,14 103.332,15 103.332,16 103.332,18 1.009,19 0.083,20 102.152,21 4,22 1.02,23 0.34,24 0.165,25 22.831,26 6.545,27 14.489,28 0.077,29 0.619,30 1.678,31 7.875,32 2.27,33 5.152,34 64.808,35 8.641,36 0.706,37 3.405,38 3.485,39 3.149,40 3.055,41 4.655,42 2.999,43 3.807,44 3.918,45 3.455,46 3.4,47 5.011,48 3.305,49 4.017,50 4.157,51 3.492,52 3.462,53 5.315,54 3.325,55 3.996,56 4.191,57 3.171,58 3.286,59 5.034,60 3.092,61 3.794,62 4.027,63 2.978,64 3.055,65 4.756,66 6.398}
{0 CHEMBL199750,1 0.478,2 1.131,3 0.053,4 23.034,5 0.487,7 3,8 0.647,9 0.67,10 57.686,11 57.686,12 0.635,13 0.493,14 105.592,15 105.592,16 105.592,17 0.881,18 0.987,19 0.088,20 51.438,21 5,22 1.058,23 0.353,24 0.437,25 24.865,26 5.163,27 16.599,28 0.142,29 0.531,30 1.386,31 14.448,32 4.519,33 20.418,34 115.102,35 6.381,36 0.344,37 4.195,38 4.328,39 3.64,40 3.712,41 5.099,42 3.661,43 4.812,44 5.017,45 3.964,46 4.13,47 5.649,48 4.041,49 5.125,50 5.385,51 3.95,52 4.278,53 5.899,54 4.128,55 5.171,56 5.454,57 3.85,58 4.218,59 5.951,60 4.049,61 5.049,62 5.328,63 3.782,64 4.109,65 5.815,66 4.523}
{0 CHEMBL201091,1 0.492,2 1.107,3 0.048,4 18.011,5 0.558,7 3.536,8 0.593,9 0.747,10 110.984,11 110.984,12 0.698,13 0.223,14 196.037,15 196.037,16 196.037,17 -0.648,18 0.993,19 0.104,20 92.973,21 5,22 1,23 0.333,24 0.275,25 20.645,26 10.751,27 19.194,28 -0.054,29 0.565,30 1.424,31 11.057,32 6.662,33 44.382,34 141.703,35 7.557,36 0.564,37 4.237,38 4.34,39 3.853,40 3.904,41 5.317,42 3.84,43 4.778,44 4.924,45 4.242,46 4.341,47 5.85,48 4.247,49 5.082,50 5.269,51 4.293,52 4.485,53 6.078,54 4.371,55 5.185,56 5.385,57 4.319,58 4.519,59 6.205,60 4.399,61 5.196,62 5.413,63 4.316,64 4.52,65 6.167,66 5.097}
{0 CHEMBL201289,1 0.524,2 1.112,3 0.051,4 18.011,5 0.74,7 3.824,8 0.618,9 0.881,10 85.839,11 85.839,12 0.718,13 0.29,14 59.823,15 105.777,16 105.777,17 -0.122,18 1.01,19 0.119,20 67.828,21 4,22 1.013,23 0.338,24 0.299,25 8.997,26 7.025,27 19.135,28 0.052,29 0.603,30 1.647,31 5.941,32 2.827,33 7.994,34 70.626,35 10.143,36 0.316,37 3.494,38 3.588,39 3.321,40 3.14,41 4.605,42 3.103,43 4.042,44 4.164,45 3.798,46 3.61,47 5.216,48 3.538,49 4.403,50 4.592,51 3.859,52 3.773,53 5.421,54 3.655,55 4.431,56 4.642,57 3.807,58 3.7,59 5.471,60 3.594,61 4.315,62 4.519,63 3.822,64 3.509,65 5.546,66 5.469}
{0 CHEMBL201593,1 0.512,2 1.097,3 0.061,5 0.5,7 2.862,8 0.587,9 0.551,10 67.828,11 67.828,12 0.764,13 0.329,14 137.218,15 254.664,16 254.664,18 1.014,19 0.123,20 185.274,21 5,22 0.97,23 0.323,24 0.23,25 20.059,26 7.402,27 24.181,28 -0.157,29 0.641,30 1.514,31 7.654,32 6.441,33 41.486,34 105.595,35 9.895,36 0.643,37 3.804,38 3.876,39 3.606,40 3.53,41 5.016,42 3.484,43 4.28,44 4.373,45 4.036,46 3.946,47 5.565,48 3.875,49 4.613,50 4.748,51 4.136,52 4.159,53 5.727,54 4.057,55 4.72,56 4.867,57 4.135,58 4.235,59 5.821,60 4.139,61 4.905,62 5.077,63 4.252,64 4.328,65 6.102,66 5.092}
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{0 CHEMBL208716,1 0.46,2 1.129,3 0.109,4 19.4,5 0.624,7 3.364,8 0.618,9 0.755,10 109.447,11 109.447,12 0.637,13 0.515,14 73.758,15 73.758,16 73.758,17 -0.388,18 1.013,19 0.077,20 109.447,21 5,22 0.939,23 0.313,24 0.486,25 44.804,26 11.404,27 15.536,28 -0.296,29 0.607,30 1.537,31 9.211,32 2.24,33 5.017,34 68.989,35 7.314,36 0.3,37 3.68,38 3.777,39 3.212,40 3.155,41 4.84,42 3.147,43 4.208,44 4.362,45 3.55,46 3.495,47 5.351,48 3.474,49 4.456,50 4.649,51 3.443,52 3.543,53 5.534,54 3.491,55 4.374,56 4.589,57 3.428,58 3.447,59 5.549,60 3.388,61 4.274,62 4.467,63 3.257,64 3.312,65 5.464,66 5.222}
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