"molecule_id","P_VSA_MR_1","ATSC1v","ATSC3v","ATSC4v","Mi","SpMin7_Bh.p.","SpMin7_Bh.v.","C.","GATS1v","CIC0","SpMin5_Bh.s.","Mv","SpMin4_Bh.s.","SpMin6_Bh.s.","ATSC1i","ATSC5v","SpMAD_EA.ri.","SpMax6_Bh.i.","SpMin6_Bh.e.","SpMin6_Bh.i.","SpMin6_Bh.v.","DLS_05","nH","P_VSA_e_1","P_VSA_m_1","P_VSA_p_1","P_VSA_s_2","P_VSA_v_1","P_VSA_LogP_2","P_VSA_m_2","PHI","S3K","SpMax3_Bh.i.","SpMin7_Bh.e.","SpMin7_Bh.i.","nCsp3","Eta_FL_A","ATS4i","ATSC1e","RCI","X3Av","GATS1i","SpMaxA_EA.ed.","Eta_beta_A","SpMax5_Bh.v.","MATS2m","ATS8m","ATS8v","MSD","P_VSA_MR_5","SpMAD_EA.bo.","SpMax6_Bh.e.","SpMax8_Bh.i.","SpMax8_Bh.m.","SpMin2_Bh.m.","SpMin2_Bh.s.","ATSC1s","X2Av","MATS1i","P_VSA_e_2","P_VSA_i_2","ATS8s","ATS5s","P_VSA_p_3","P_VSA_v_3","AAC","pXC50"
{1 200.109,2 7.031,3 15.951,4 17.911,5 1.121,6 1.162,7 1.217,8 42,9 1.035,10 4.289,11 0.791,12 0.608,13 1.007,14 0.72,15 0.652,16 19.19,17 1.411,18 3.248,19 1.201,20 1.11,21 1.49,22 1,23 26,24 306.049,25 306.049,26 306.049,27 306.049,28 306.049,29 14.302,30 129.806,31 5.597,32 4.021,33 3.84,34 0.886,35 0.821,36 9,37 0.208,38 5.17,39 0.044,40 1,41 0.117,42 1.295,43 0.552,44 1.104,45 3.114,46 0.033,47 3.694,48 3.831,49 5.587,50 26.251,51 1.813,52 3.136,53 2.925,54 2.687,55 1.936,56 1.24,57 8.151,58 0.202,59 -0.118,60 126.681,61 126.681,62 5.553,63 5.721,64 165.83,65 165.83,66 1.355,67 4.4}
{0 CHEMBL1201074,1 282.506,2 7.879,3 18.184,4 20.249,5 1.12,6 1.376,7 1.429,8 39.3,9 1.011,10 4.388,11 0.925,12 0.612,13 1.033,14 0.825,15 0.831,16 20.595,17 1.36,18 3.312,19 1.186,20 1.087,21 1.495,22 1,23 29,24 341.362,25 341.362,26 341.362,27 341.362,28 341.362,29 16.068,30 119.162,31 6.461,32 4.546,33 3.791,34 1.153,35 1.064,36 10,37 0.2,38 5.249,39 0.065,40 1.2,41 0.134,42 1.343,43 0.379,44 1.139,45 3.285,46 0.052,47 3.849,48 3.937,49 6.263,50 34.267,51 1.765,52 3.211,53 3.091,54 2.866,55 1.997,56 1.245,57 8.446,58 0.237,59 -0.198,60 174.229,61 109.789,62 5.485,63 5.676,64 174.229,65 174.229,66 1.419,67 4.525}
{0 CHEMBL1201163,1 306.049,2 7.962,3 17.123,4 20.226,5 1.125,6 1.376,7 1.429,8 38.6,9 1.096,10 4.374,11 0.825,12 0.597,13 0.996,14 0.767,15 0.8,16 22.791,17 1.368,18 3.33,19 1.303,20 1.249,21 1.551,22 1,23 30,24 353.133,25 353.133,26 353.133,27 353.133,28 353.133,29 24.172,30 129.807,31 7.309,32 4.912,33 3.828,34 1.153,35 1.064,36 11,37 0.199,38 5.364,39 0.047,40 1,41 0.124,42 1.399,43 0.503,44 1.065,45 3.239,46 0.02,47 3.439,48 3.703,49 6.185,50 36.121,51 1.74,52 3.256,53 3.149,54 2.866,55 1.983,56 1.154,57 8.188,58 0.212,59 -0.191,60 154.836,61 123.558,62 5.605,63 6.17,64 154.836,65 154.836,66 1.459,67 4.606}
{0 CHEMBL1213137,1 258.964,2 7.585,3 16.181,4 17.847,5 1.113,6 1.337,7 1.359,8 45.6,9 0.976,10 4.506,11 0.884,12 0.631,13 1.012,14 0.869,15 0.707,16 20.074,17 1.375,18 3.407,19 1.351,20 1.256,21 1.602,22 0.5,23 28,24 329.591,25 329.591,26 329.591,27 329.591,28 329.591,29 10.909,30 185.838,31 8.063,32 5.801,33 3.858,34 1.249,35 1.202,36 6,37 0.257,38 5.09,39 0.047,40 1,41 0.104,42 1.193,43 0.364,44 1.276,45 3.257,46 0.007,47 3.605,48 3.842,49 7.103,50 31.684,51 1.894,52 3.306,53 2.925,54 2.863,55 1.988,56 1.201,57 9.021,58 0.18,59 -0.099,60 182.714,61 182.714,62 5.63,63 5.915,64 221.862,65 221.862,66 1.327,67 4.968}
{0 CHEMBL1256696,1 294.278,2 7.864,3 16.334,4 16.941,5 1.134,6 1.496,7 1.533,8 36.4,9 1.251,10 4.45,11 0.935,12 0.565,13 0.994,14 0.869,15 0.724,16 17.151,17 1.362,18 3.362,19 1.351,20 1.256,21 1.638,22 1,23 31,24 364.904,25 364.904,26 364.904,27 364.904,28 364.904,29 30.232,30 108.765,31 7.903,32 5.136,33 3.774,34 1.257,35 1.178,36 13,37 0.17,38 5.202,39 0.046,40 1,41 0.121,42 1.534,43 0.599,44 0.917,45 3.089,46 -0.03,47 3.148,48 3.345,49 6.758,50 51.007,51 1.625,52 3.306,53 2.979,54 2.687,55 1.957,56 1.211,57 6.36,58 0.201,59 -0.2,60 105.641,61 105.641,62 5.353,63 5.975,64 105.641,65 105.641,66 1.331,67 4.964}
{0 CHEMBL1261,1 47.084,2 1.617,3 3.309,4 3.86,5 1.149,6 0.414,7 0.356,8 28.6,9 0.913,10 2.817,12 0.624,15 0.223,16 2.123,17 1.445,18 2.397,19 0.11,20 0.024,21 0.712,22 0.5,23 8,24 47.084,25 47.084,26 47.084,27 47.084,28 47.084,29 5.069,30 7.799,31 3.839,32 3.868,33 3.218,36 3,37 0.222,38 4.22,39 0.374,41 0.08,42 1.287,43 1.079,44 0.942,45 1.995,46 0.158,47 0.007,48 0.067,49 3.471,50 5.069,51 1.751,52 2.325,53 2.011,54 1.767,55 1.454,56 0.586,57 79.134,58 0.146,59 0.152,60 7.799,61 7.799,62 0.693,63 6.188,64 7.799,65 7.799,66 1.575,67 4.399}
{0 CHEMBL1312711,1 282.506,2 6.396,3 14.697,4 15.931,5 1.12,6 1.427,7 1.446,8 41.1,9 0.989,10 4.136,11 0.921,12 0.648,13 0.957,14 0.825,15 0.813,16 15.279,17 1.467,18 3.388,19 1.251,20 1.236,21 1.467,22 0.5,23 24,24 282.506,25 282.506,26 282.506,27 282.506,28 282.506,29 23.266,30 132.73,31 5.718,32 4.191,33 3.868,34 1.177,35 1.129,36 8,37 0.25,38 5.255,39 0.133,40 1.16,41 0.108,42 1.438,43 0.379,44 1.281,45 3.365,46 0.097,47 3.799,48 3.787,49 7.836,50 33.61,51 1.98,52 3.35,53 3.206,54 2.866,55 1.984,56 1.213,57 17.875,58 0.188,59 -0.262,60 133.894,61 128.087,62 5.84,63 6.234,64 133.894,65 133.894,66 1.672,67 4.4}
{0 CHEMBL1320647,1 200.109,2 5.491,3 12.812,4 12.51,5 1.121,6 1.195,7 1.195,8 41.3,9 0.926,10 3.907,11 0.683,12 0.64,13 0.757,14 0.33,15 0.677,16 11.781,17 1.413,18 3.168,19 1.068,20 1.01,21 1.337,22 0.5,23 21,24 223.651,25 223.651,26 223.651,27 223.651,28 223.651,29 46.321,30 150.657,31 5.663,32 3.994,33 3.775,34 0.964,35 0.906,36 5,37 0.246,38 4.936,39 0.019,40 1.267,41 0.106,42 1.236,43 0.409,44 1.29,45 3.165,46 0.135,47 3.328,48 3.305,49 6.114,50 55.146,51 1.877,52 3.087,53 2.938,54 2.801,55 1.976,56 1.127,57 5.903,58 0.188,59 -0.085,60 143.731,61 111.511,62 5.491,63 5.834,64 143.731,65 143.731,66 1.617,67 4.4}
{0 CHEMBL1329962,1 176.567,2 5.151,3 11.26,4 11.275,5 1.107,6 1.167,7 1.21,8 43.5,9 0.853,10 3.851,11 0.657,12 0.674,13 0.791,14 0.5,15 0.591,16 10.034,17 1.4,18 3.18,19 1.118,20 1.121,21 1.325,22 0.5,23 19,24 211.88,25 211.88,26 211.88,27 211.88,28 211.88,29 27.672,30 130.97,31 6.506,32 4.333,33 3.667,34 1.044,35 1.003,36 5,37 0.238,38 4.75,39 0.051,40 1.133,41 0.12,42 0.989,43 0.415,44 1.231,45 3.239,46 0.167,47 3.72,48 3.752,49 5.635,50 46.252,51 1.91,52 3.131,53 2.93,54 2.977,55 1.953,56 1.059,57 8.378,58 0.2,59 0.027,60 176.457,61 112.959,62 6.054,63 5.911,64 176.457,65 176.457,66 1.672,67 4.552}
{0 CHEMBL1330113,1 188.338,2 6.86,3 15.537,4 16.402,5 1.147,6 1.469,7 1.456,8 34.4,9 0.906,10 4.383,11 0.693,12 0.62,13 1.059,14 0.409,15 0.972,16 13.592,17 1.296,18 3.508,19 1.353,20 1.271,21 1.617,22 1,23 30,24 235.422,25 235.422,26 235.422,27 235.422,28 235.422,29 14.35,30 345.023,31 12.554,32 12.511,33 3.854,34 1.162,35 1.074,36 6,37 0.244,38 5.291,39 0.125,40 1,41 0.105,42 1.425,43 0.216,44 1.206,45 3.342,46 0.011,47 3.746,48 3.798,49 11.163,50 213.08,51 1.778,52 3.422,53 3.219,54 3.189,55 1.972,56 1.074,57 19.769,58 0.185,59 -0.075,60 110.271,61 110.271,62 5.819,63 6.022,64 188.568,65 188.568,66 1.617,67 4.669}
{0 CHEMBL1332171,1 141.253,2 4.119,3 8.59,4 8.228,5 1.111,6 1.021,7 1.068,8 45,9 0.861,10 3.645,11 0.325,12 0.677,13 0.548,14 0.256,15 0.55,16 8.199,17 1.39,18 3.105,19 1.003,20 0.949,21 1.223,23 16,24 176.567,25 176.567,26 176.567,27 176.567,28 176.567,29 41.494,30 148.968,31 4.927,32 3.352,33 3.62,34 0.887,35 0.862,36 2,37 0.279,38 4.628,39 0.048,40 1.286,41 0.093,42 1.171,43 0.457,44 1.385,45 3.057,46 0.137,47 3.267,48 3.17,49 5.377,50 34.553,51 1.909,52 3.045,53 2.837,54 2.627,55 1.896,56 0.99,57 8.175,58 0.168,59 -0.112,60 160.053,61 127.833,62 5.514,63 5.846,64 160.053,65 160.053,66 1.677,67 4.914}
{0 CHEMBL1334887,1 270.735,2 7.825,3 19.279,4 20.742,5 1.138,6 1.564,7 1.586,8 40.9,9 0.966,10 4.369,11 1.013,12 0.639,13 1.101,14 0.887,15 1.16,16 19.568,17 1.37,18 3.438,19 1.49,20 1.439,21 1.666,22 0.5,23 30,24 341.362,25 341.362,26 386.242,27 349.121,28 341.362,29 41.373,30 173.635,31 9.345,32 7.972,33 3.927,34 1.373,35 1.312,36 10,37 0.225,38 5.446,39 0.06,40 1,41 0.107,42 1.126,43 0.3,44 1.132,45 3.461,46 0.052,47 4.416,48 4.34,49 7.934,50 54.156,51 1.826,52 3.381,53 3.174,54 3.304,55 2.001,56 1.211,57 18.155,58 0.184,59 -0.149,60 192.669,61 147.477,62 6.131,63 6.153,64 231.818,65 231.818,66 1.676,67 4.4}
{0 CHEMBL1335827,1 164.795,2 3.886,3 8.562,4 8.95,5 1.1,6 1.062,7 1.107,8 50,9 0.769,10 3.826,11 0.407,12 0.702,13 0.649,14 0.287,15 0.432,16 7.109,17 1.449,18 3.067,19 1.001,20 0.971,21 1.222,23 15,24 164.795,25 164.795,26 164.795,27 164.795,28 164.795,29 2.535,30 128.786,31 5.095,32 3.852,33 3.691,34 0.886,35 0.821,36 2,37 0.274,38 4.719,39 0.069,40 1.125,41 0.088,42 0.903,43 0.418,44 1.39,45 3.127,46 0.035,47 3.747,48 3.628,49 5.493,50 11.36,51 2.059,52 3.035,53 2.911,54 2.687,55 1.961,56 1.077,57 11.1,58 0.174,59 0.048,60 128.786,61 174.74,62 5.64,63 5.903,64 174.74,65 174.74,66 1.496,67 4.4}
{0 CHEMBL1346951,1 188.338,2 4.627,3 8.555,4 7.857,5 1.134,6 1.229,7 1.219,8 36.6,9 1.139,10 3.776,11 0.576,12 0.611,13 0.589,14 0.287,15 0.519,16 7.347,17 1.338,18 3.172,19 1.066,20 0.983,21 1.358,22 1,23 19,24 211.88,25 211.88,26 211.88,27 211.88,28 211.88,29 27.672,30 116.965,31 7.568,32 5.432,33 3.503,34 0.984,35 0.918,36 6,37 0.242,38 4.705,39 0.129,40 1,41 0.083,42 1.524,43 0.459,44 1.125,45 3.009,46 0.13,47 3.256,48 3.272,49 5.586,50 36.497,51 1.738,52 3.08,53 2.843,54 2.644,55 1.958,56 1.116,57 10.984,58 0.156,59 -0.236,60 98.955,61 98.955,62 5.445,63 5.792,64 98.955,65 98.955,66 1.581,67 4.4}
{0 CHEMBL1348296,1 258.964,2 6.192,3 12.547,4 14.519,5 1.124,6 1.311,7 1.323,8 39.6,9 0.988,10 3.996,11 0.725,12 0.642,13 0.865,14 0.58,15 0.751,16 13.496,17 1.344,18 3.342,19 1.231,20 1.187,21 1.533,22 0.5,23 24,24 282.506,25 282.506,26 282.506,27 282.506,28 282.506,29 14.463,30 150.465,31 7.838,32 5.888,33 3.812,34 1.108,35 1.047,36 7,37 0.249,38 5.082,39 0.038,40 1.133,41 0.105,42 1.456,43 0.344,44 1.241,45 3.16,46 0.123,47 4.056,48 3.996,49 6.745,50 20.232,51 1.891,52 3.281,53 3.009,54 3.044,55 1.955,56 1.102,57 6.273,58 0.195,59 -0.288,60 158.708,61 127.431,62 6.001,63 5.844,64 197.857,65 197.857,66 1.732,67 4.4}
{0 CHEMBL1351317,1 205.626,2 6.829,3 17.237,4 16.572,5 1.134,6 1.457,7 1.485,8 37.9,9 0.937,10 4.115,11 0.844,12 0.663,13 0.911,14 0.825,15 1.182,16 14.55,17 1.462,18 3.649,19 1.321,20 1.277,21 1.585,22 0.5,23 26,24 282.506,25 282.506,26 297.467,27 282.506,28 282.506,29 16.455,30 200.335,31 6.995,32 5.708,33 3.984,34 1.266,35 1.238,36 9,37 0.241,38 5.458,39 0.279,40 1.067,41 0.117,42 1.241,43 0.302,44 1.325,45 3.67,46 0.062,47 4.352,48 4.076,49 9.418,50 40.015,51 2.03,52 3.663,53 3.31,54 3.252,55 2.016,56 1.216,57 43.88,58 0.201,59 -0.092,60 125.476,61 113.861,62 6.143,63 6.373,64 125.476,65 125.476,66 1.93,67 4.4}
{0 CHEMBL1358907,1 270.735,2 6.077,3 14.097,4 17.237,5 1.13,6 1.324,7 1.358,8 40,9 1.078,10 4.086,11 0.746,12 0.601,13 0.825,14 0.694,15 0.674,16 16.247,17 1.469,18 3.206,19 1.153,20 1.064,21 1.429,22 0.5,23 23,24 270.735,25 270.735,26 270.735,27 270.735,28 270.735,29 13.492,30 111.249,31 3.609,32 2.552,33 3.805,34 1.101,35 1.008,36 9,37 0.22,38 5.177,39 0.039,40 1.2,41 0.099,42 1.528,43 0.477,44 1.136,45 3.072,46 0.086,47 2.694,48 3.145,49 4.488,50 36.342,51 1.851,52 3.111,53 2.954,54 2.7,55 1.973,56 1.24,57 6.789,58 0.18,59 -0.295,60 88.215,61 88.215,62 5.106,63 5.674,64 88.215,65 88.215,66 1.406,67 4.4}
{0 CHEMBL1358943,1 258.964,2 6.333,3 13.513,4 16.954,5 1.135,6 1.48,7 1.484,8 39.3,9 0.929,10 4.207,11 0.787,12 0.646,13 0.917,14 0.674,15 0.932,16 17.209,17 1.391,18 3.427,19 1.354,20 1.306,21 1.568,22 0.5,23 26,24 258.964,25 258.964,26 258.964,27 258.964,28 258.964,29 21.161,30 263.202,31 7.703,32 4.897,33 3.805,34 1.238,35 1.187,36 8,37 0.265,38 5.314,39 0.12,40 1.211,41 0.081,42 1.427,43 0.335,44 1.321,45 3.21,46 0.084,47 4.293,48 4.216,49 6.872,50 52.22,51 1.895,52 3.368,53 3.246,54 3.099,55 2.003,56 1.161,57 19.416,58 0.158,59 -0.19,60 126.529,61 126.529,62 6.297,63 6.359,64 165.678,65 165.678,66 1.723,67 4.4}
{0 CHEMBL1360792,1 105.94,2 2.406,3 4.817,4 5.947,5 1.119,6 0.965,7 0.957,8 46.7,9 0.78,10 3.153,11 0.201,12 0.717,13 0.414,14 0.107,15 0.452,16 4.734,17 1.502,18 3.088,19 0.958,20 0.918,21 1.201,23 9,24 105.94,25 105.94,26 105.94,27 105.94,28 105.94,30 111.942,31 2.947,32 2.25,33 3.667,34 0.64,35 0.594,36 1,37 0.314,38 4.535,39 0.219,40 1.286,41 0.072,42 0.874,43 0.476,44 1.595,45 2.915,46 0.16,47 2.754,48 2.575,49 4.617,50 13.113,51 2.284,52 3.041,53 2.629,54 2.407,55 1.929,56 1.052,57 14.891,58 0.139,59 0.237,60 83.816,61 83.816,62 5.197,63 5.805,64 83.816,65 83.816,66 1.754,67 4.4}
{0 CHEMBL1362588,1 141.253,2 5.873,3 12.642,4 15.55,5 1.117,6 1.248,7 1.308,8 45.1,9 0.929,10 4.16,11 0.742,12 0.65,13 0.968,14 0.469,15 0.697,16 12.849,17 1.522,18 3.299,19 1.155,20 1.136,21 1.384,22 0.5,23 22,24 247.193,25 247.193,26 247.193,27 247.193,28 247.193,29 3.124,30 169.589,31 4.588,32 3.361,33 3.717,34 1.007,35 0.994,36 6,37 0.25,38 5.202,39 0.037,40 1.211,41 0.079,42 1.219,43 0.38,44 1.293,45 3.164,46 0.243,47 3.572,48 3.593,49 6.65,50 38.425,51 1.963,52 3.278,53 3.021,54 2.861,55 1.986,56 1.085,57 8.348,58 0.163,59 -0.095,60 148.454,61 148.454,62 5.676,63 6.311,64 148.454,65 148.454,66 1.513,67 4.954}
{0 CHEMBL1368100,1 258.964,2 6.915,3 15.346,4 17.305,5 1.136,6 1.356,7 1.398,8 36.7,9 1.17,10 4.249,11 0.777,12 0.573,13 0.847,14 0.719,15 0.721,16 15.05,17 1.457,18 3.313,19 1.277,20 1.201,21 1.538,22 1,23 27,24 306.049,25 306.049,26 306.049,27 306.049,28 306.049,29 33.608,30 102.303,31 4.623,32 3.592,33 3.657,34 1.126,35 1.041,36 11,37 0.189,38 5.257,39 0.056,40 1.133,41 0.116,42 1.585,43 0.411,44 1.011,45 3.101,46 0.087,47 3.163,48 3.463,49 5.704,50 66.333,51 1.745,52 3.232,53 2.91,54 2.535,55 1.978,56 1.231,57 6.545,58 0.203,59 -0.246,60 78.044,61 78.044,62 5.253,63 5.769,64 78.044,65 78.044,66 1.366,67 4.4}
{0 CHEMBL1386129,1 200.109,2 6.074,3 12.044,4 14.582,5 1.122,6 1.328,7 1.345,8 40,9 1.022,10 4.065,11 0.584,12 0.623,13 0.662,14 0.566,15 0.674,16 15.42,17 1.384,18 3.274,19 1.184,20 1.121,21 1.467,22 1,23 24,24 270.735,25 270.735,26 270.735,27 270.735,28 270.735,29 23.241,30 160.314,31 7.572,32 5.789,33 3.752,34 1.081,35 1.005,36 6,37 0.255,38 5.032,39 0.011,40 1,41 0.097,42 1.331,43 0.357,44 1.212,45 3.026,46 0.119,47 3.595,48 3.674,49 6.254,50 40.891,51 1.857,52 3.205,53 3.009,54 2.842,55 1.972,56 1.078,57 7.677,58 0.179,59 -0.195,60 184.371,61 139.179,62 5.576,63 5.944,64 184.371,65 184.371,66 1.579,67 4.4}
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{0 CHEMBL1700791,1 188.338,2 4.154,3 8.149,4 8.859,5 1.108,6 1.147,7 1.168,8 45.5,9 0.873,10 3.683,11 0.649,12 0.701,13 0.701,14 0.527,15 0.572,16 9.372,17 1.457,18 3.391,19 1.27,20 1.26,21 1.488,23 16,24 188.338,25 188.338,26 188.338,27 188.338,28 188.338,29 1.519,30 144.025,31 5.637,32 3.871,33 3.686,34 1.003,35 0.967,36 2,37 0.285,38 4.801,39 0.136,40 1.125,41 0.102,42 1.244,43 0.476,44 1.438,45 3.251,46 0.152,47 3.685,48 3.602,49 5.451,50 19.169,51 2.11,52 3.378,53 2.925,54 2.854,55 1.994,56 1.15,57 20.939,58 0.185,59 -0.173,60 148.314,61 142.506,62 5.65,63 6.337,64 187.462,65 187.462,66 1.777,67 4.995}
{0 CHEMBL1701004,1 270.735,2 6.373,3 13.903,4 16.252,5 1.104,6 1.239,7 1.308,8 48,9 0.892,10 4.282,11 0.7,12 0.654,13 1.01,14 0.598,15 0.614,16 14.625,17 1.423,18 3.262,19 1.184,20 1.105,21 1.369,22 0.5,23 23,24 270.735,25 270.735,26 270.735,27 270.735,28 270.735,29 6.698,30 169.284,31 5.443,32 4.009,33 3.859,34 0.972,35 0.951,36 4,37 0.271,38 4.989,39 0.042,40 1.095,41 0.105,42 1.061,43 0.401,44 1.361,45 3.252,46 0.072,47 3.369,48 3.599,49 6.431,50 9.822,51 2.03,52 3.195,53 2.957,54 2.687,55 1.996,56 1.109,57 8.75,58 0.193,59 -0.067,60 197.437,61 166.159,62 5.407,63 5.6,64 197.437,65 197.437,66 1.362,67 4.4}
{0 CHEMBL1705978,1 364.904,2 9.333,3 21.223,4 25.367,5 1.134,6 1.376,7 1.429,8 36.1,9 1.306,10 4.768,11 0.825,12 0.545,13 1.078,14 0.816,15 0.808,16 22.671,17 1.442,18 3.278,19 1.192,20 1.106,21 1.489,22 1,23 37,24 435.531,25 435.531,26 435.531,27 435.531,28 435.531,29 19.371,30 118.865,31 6.501,32 5.877,33 3.762,34 1.153,35 1.064,36 16,37 0.13,38 5.661,39 0.081,40 1,41 0.143,42 1.497,43 0.511,44 0.823,45 3.117,46 0.111,47 3.538,48 3.964,49 5.789,50 57.796,51 1.657,52 3.195,53 3.057,54 2.716,55 2.049,56 1.249,57 9.673,58 0.254,59 -0.138,60 115.74,61 115.74,62 5.734,63 5.819,64 115.74,65 115.74,66 1.163,67 4.4}
{0 CHEMBL1710524,1 200.109,2 6.39,3 13.959,4 16.849,5 1.122,6 1.361,7 1.406,8 41.7,9 1.026,10 4.135,11 0.772,12 0.617,13 0.88,14 0.574,15 0.626,16 18.138,17 1.378,18 3.302,19 1.183,20 1.101,21 1.533,22 1,23 24,24 282.506,25 282.506,26 282.506,27 282.506,28 282.506,29 9.28,30 123.398,31 5.567,32 3.834,33 3.659,34 1.112,35 1.023,36 8,37 0.231,38 5.086,39 0.023,40 1.125,41 0.108,42 1.348,43 0.412,44 1.167,45 3.118,46 0.061,47 3.343,48 3.54,49 6.101,50 21.23,51 1.816,52 3.224,53 2.925,54 2.814,55 2.012,56 1.205,57 8.228,58 0.186,59 -0.171,60 120.273,61 120.273,62 5.362,63 5.694,64 159.422,65 159.422,66 1.45,67 4.4}
{0 CHEMBL1725297,1 223.651,2 4.66,3 8.911,4 10.326,5 1.136,6 1.083,7 1.103,8 37.8,9 1.157,10 3.75,11 0.57,12 0.594,13 0.703,14 0.469,15 0.54,16 9.452,17 1.376,18 3.009,19 0.934,20 0.804,21 1.308,22 0.5,23 19,24 223.651,25 223.651,26 223.651,27 223.651,28 223.651,29 6.317,30 122.089,31 4.646,32 4.053,33 3.739,34 0.859,35 0.794,36 5,37 0.268,38 4.788,39 0.025,40 1,41 0.097,42 1.729,43 0.482,44 1.25,45 2.746,46 -0.001,47 2.569,48 3.044,49 4.663,50 18.489,51 1.843,52 2.874,53 2.748,54 2.499,55 1.87,56 0.959,57 7.683,58 0.187,59 -0.466,60 99.055,61 99.055,62 4.994,63 5.267,64 99.055,65 99.055,66 1.459,67 4.4}
{0 CHEMBL1733174,1 238.611,2 6.313,3 13.794,4 15.367,5 1.137,6 1.376,7 1.366,8 38.9,9 0.985,10 4.034,11 0.918,12 0.625,13 0.935,14 0.647,15 0.817,16 14.925,17 1.366,18 3.245,19 1.138,20 1.08,21 1.4,22 1,23 25,24 258.964,25 258.964,26 273.924,27 258.964,28 258.964,29 35.618,30 169.02,31 7.724,32 6.061,33 3.82,34 1.122,35 1.068,36 8,37 0.236,38 5.171,39 0.098,40 1,41 0.096,42 1.234,43 0.328,44 1.147,45 3.251,46 0.022,47 3.792,48 3.714,49 7.419,50 47.568,51 1.792,52 3.194,53 3.003,54 2.972,55 1.959,56 1.113,57 13.153,58 0.173,59 -0.097,60 114.988,61 114.988,62 5.835,63 5.978,64 154.137,65 154.137,66 1.721,67 4.896}
{0 CHEMBL1866088,1 344.551,2 8.659,3 19.895,4 24.074,5 1.14,6 1.351,7 1.387,8 36.2,9 1.282,10 4.573,11 0.825,12 0.553,13 1.05,14 0.742,15 0.833,16 21.938,17 1.427,18 3.209,19 1.153,20 1.064,21 1.429,22 1,23 34,24 400.217,25 400.217,26 415.178,27 400.217,28 400.217,29 19.371,30 115.975,31 6.445,32 5.841,33 3.761,34 1.139,35 1.057,36 15,37 0.137,38 5.611,39 0.061,40 1,41 0.138,42 1.338,43 0.511,44 0.833,45 3.044,46 0.101,47 3.569,48 3.893,49 5.789,50 48.971,51 1.657,52 3.13,53 3.009,54 2.687,55 2.012,56 1.236,57 9.413,58 0.244,59 -0.118,60 112.851,61 112.851,62 5.831,63 5.813,64 112.851,65 112.851,66 1.285,67 4.4}
{0 CHEMBL1870939,1 482.615,2 10.793,3 22.983,4 26.597,5 1.128,6 1.698,7 1.659,8 39,9 1.039,10 4.941,11 0.988,12 0.639,13 1.153,14 0.75,15 1.432,16 28.694,17 1.402,18 3.647,19 1.535,20 1.518,21 1.728,22 1,23 43,24 482.615,25 482.615,26 482.615,27 482.615,28 482.615,29 52.554,30 315.512,31 14.87,32 10.391,33 3.948,34 1.38,35 1.35,36 13,37 0.261,38 5.87,39 0.318,40 1.071,41 0.096,42 1.485,43 0.223,44 1.228,45 3.589,46 0.109,47 5.103,48 4.925,49 9.81,50 62.897,51 1.847,52 3.635,53 3.483,54 3.398,55 2.004,56 1.207,57 34.601,58 0.17,59 -0.238,60 277.776,61 271.968,62 7.285,63 7.077,64 277.776,65 277.776,66 1.703,67 4.494}
{0 CHEMBL1874590,1 296.605,2 8.165,3 17.161,4 18.464,5 1.139,6 1.602,7 1.619,8 34.8,9 1.118,10 4.357,11 0.939,12 0.606,13 0.955,14 0.914,15 1.028,16 18.901,17 1.415,18 3.508,19 1.431,20 1.357,21 1.686,22 1,23 32,24 364.904,25 364.904,26 364.904,27 364.904,28 364.904,29 20.19,30 159.497,31 7.433,32 4.809,33 3.864,34 1.363,35 1.283,36 12,37 0.219,38 5.4,39 0.136,40 1.095,41 0.107,42 1.643,43 0.368,44 1.199,45 3.393,46 0.202,47 4.302,48 4.204,49 6.914,50 66.382,51 1.923,52 3.433,53 3.307,54 3.109,55 1.974,56 1.204,57 18.074,58 0.19,59 -0.309,60 109.263,61 103.456,62 6.411,63 6.305,64 109.263,65 109.263,66 1.688,67 4.601}
{0 CHEMBL1875746,1 482.615,2 11.921,3 27.141,4 27.703,5 1.136,6 1.751,7 1.762,8 35.1,9 1.162,10 4.927,11 1.035,12 0.597,13 1.207,14 1.035,15 1.351,16 27.111,17 1.392,18 3.655,19 1.546,20 1.52,21 1.774,22 1,23 47,24 529.7,25 529.7,26 529.7,27 529.7,28 529.7,29 72.83,30 225.704,31 15.542,32 10.97,33 3.844,34 1.501,35 1.426,36 19,37 0.191,38 5.85,39 0.156,40 1.125,41 0.116,42 1.58,43 0.278,44 1.021,45 3.588,46 0.099,47 4.954,48 4.818,49 8.56,50 100.824,51 1.72,52 3.628,53 3.543,54 3.393,55 2.024,56 1.353,57 29.236,58 0.205,59 -0.217,60 187.968,61 182.16,62 7.209,63 6.934,64 187.968,65 187.968,66 1.628,67 4.459}
{0 CHEMBL1879338,1 341.362,2 10.142,3 25.186,4 24.475,5 1.133,6 1.751,7 1.793,8 36.9,9 1.068,10 4.706,11 1.206,12 0.619,13 1.211,14 1.203,15 1.26,16 21.007,17 1.441,18 3.621,19 1.577,20 1.507,21 1.793,22 1,23 39,24 435.531,25 435.531,26 435.531,27 435.531,28 435.531,29 68.618,30 203.842,31 10.763,32 7.835,33 3.929,34 1.577,35 1.507,36 17,37 0.198,38 5.78,39 0.193,40 1.077,41 0.114,42 1.497,43 0.278,44 1.067,45 3.589,46 0.077,47 4.992,48 4.865,49 7.619,50 78.962,51 1.771,52 3.61,53 3.423,54 3.341,55 1.976,56 1.211,57 32.795,58 0.197,59 -0.185,60 166.106,61 160.298,62 7.185,63 6.93,64 166.106,65 166.106,66 1.686,67 4.783}
{0 CHEMBL1885671,1 176.567,2 5.404,3 13.094,4 15.818,5 1.106,6 1.19,7 1.259,8 46.3,9 0.884,10 3.937,11 0.699,12 0.65,13 0.825,14 0.627,15 0.529,16 15.711,17 1.472,18 3.206,19 1.153,20 1.064,21 1.429,22 0.5,23 19,24 223.651,25 223.651,26 223.651,27 223.651,28 223.651,29 11.815,30 100.786,31 3.555,32 2.423,33 3.767,34 1.081,35 1.022,36 6,37 0.224,38 4.973,39 0.028,40 1.2,41 0.112,42 1.049,43 0.481,44 1.205,45 3.094,46 0.037,47 2.665,48 2.885,49 4.419,50 14.939,51 1.94,52 3.111,53 2.836,54 2.678,55 1.977,56 1.175,57 4.733,58 0.198,59 -0.037,60 128.939,61 97.661,62 4.99,63 5.665,64 128.939,65 128.939,66 1.42,67 4.4}
{0 CHEMBL1896156,1 235.422,2 5.624,3 13.883,4 14.918,5 1.123,6 1.437,7 1.477,8 38.6,9 0.902,10 3.963,11 0.731,12 0.67,13 0.803,14 0.709,15 0.904,16 14.909,17 1.466,18 3.404,19 1.372,20 1.367,21 1.53,22 0.5,23 22,24 235.422,25 235.422,26 235.422,27 235.422,28 235.422,29 30.331,30 145.972,31 6.158,32 4.245,33 3.866,34 1.247,35 1.196,36 7,37 0.238,38 5.422,39 0.255,40 1.167,41 0.108,42 1.327,43 0.383,44 1.229,45 3.431,46 0.08,47 4.448,48 4.194,49 6.67,50 41.605,51 1.92,52 3.393,53 3.118,54 2.943,55 1.951,56 1.23,57 34.647,58 0.191,59 -0.135,60 157.524,61 120.439,62 6.606,63 6.73,64 157.524,65 157.524,66 1.87,67 4.835}
{0 CHEMBL1896407,1 167.984,2 3.688,3 7.542,4 7.788,5 1.122,6 1.062,7 1.107,8 47.1,9 0.879,10 3.509,11 0.218,12 0.662,13 0.56,14 0.218,15 0.501,16 7.582,17 1.413,18 2.925,19 0.886,20 0.821,21 1.107,23 14,24 153.024,25 153.024,26 167.984,27 153.024,28 153.024,29 8.47,30 126.541,31 4.774,32 3.852,33 3.604,34 0.83,35 0.779,36 1,37 0.297,38 4.48,39 0.098,40 1,41 0.084,42 0.9,43 0.446,44 1.363,45 2.715,46 -0.126,47 2.739,48 2.809,49 5.942,50 8.47,51 1.934,52 2.854,53 2.721,54 2.526,55 1.976,56 1.053,57 9.858,58 0.155,59 0.039,60 126.541,61 126.541,62 4.852,63 5.38,64 126.541,65 126.541,66 1.579,67 4.399}
{0 CHEMBL1900730,1 506.157,2 12.28,3 31.218,4 31.626,5 1.133,6 1.706,7 1.686,8 36.5,9 1.107,10 4.96,11 0.99,12 0.605,13 1.207,14 0.973,15 1.413,16 28.027,17 1.436,18 3.649,19 1.537,20 1.518,21 1.738,22 1,23 47,24 529.7,25 529.7,26 529.7,27 529.7,28 529.7,29 77.899,30 213.123,31 13.063,32 9.579,33 3.942,34 1.417,35 1.355,36 21,37 0.183,38 5.983,39 0.156,40 1.071,41 0.122,42 1.498,43 0.257,44 1.02,45 3.589,46 0.06,47 5.003,48 4.884,49 8.483,50 88.243,51 1.739,52 3.633,53 3.492,54 3.392,55 2.113,56 1.511,57 28.657,58 0.207,59 -0.168,60 175.386,61 169.579,62 7.195,63 6.957,64 175.386,65 175.386,66 1.625,67 4.532}
{0 CHEMBL1902292,1 188.338,2 4.347,3 9.503,4 9.252,5 1.118,6 1.047,7 1.078,8 45.5,9 0.968,10 3.776,11 0.458,12 0.628,13 0.693,14 0.277,15 0.467,16 9.256,17 1.426,18 2.925,19 0.886,20 0.821,21 1.107,22 0.5,23 16,24 188.338,25 188.338,26 188.338,27 188.338,28 188.338,29 9.28,30 112.045,31 2.889,32 2.222,33 3.533,34 0.847,35 0.779,36 4,37 0.261,38 4.527,39 0.033,40 1.133,41 0.099,42 1.281,43 0.538,44 1.309,45 2.772,46 -0.071,47 2.534,48 2.854,49 4.636,50 27.965,51 1.952,52 2.854,53 2.513,54 2.216,55 1.927,56 1.132,57 5.186,58 0.176,59 -0.179,60 93.361,61 93.361,62 4.55,63 4.928,64 93.361,65 93.361,66 1.269,67 4.4}
{0 CHEMBL1906617,1 247.193,2 5.849,3 12.373,4 14.801,5 1.119,6 1.239,7 1.308,8 41.3,9 0.97,10 3.974,11 0.613,12 0.629,13 0.733,14 0.556,15 0.646,16 12.642,17 1.415,18 3.265,19 1.186,20 1.105,21 1.411,22 0.5,23 22,24 247.193,25 247.193,26 247.193,27 247.193,28 247.193,29 4.211,30 135.021,31 5.066,32 3.291,33 3.747,34 0.964,35 0.886,36 6,37 0.252,38 5.005,39 0.025,40 1.286,41 0.106,42 1.245,43 0.467,44 1.25,45 3.103,46 0.176,47 3.42,48 3.589,49 5.14,50 16.161,51 1.883,52 3.207,53 3.009,54 2.713,55 1.928,56 1.119,57 7.469,58 0.194,59 -0.112,60 146.105,61 113.886,62 5.507,63 5.838,64 146.105,65 146.105,66 1.549,67 4.442}
{0 CHEMBL2132530,1 247.193,2 5.611,3 12.141,4 12.867,5 1.109,6 1.546,7 1.551,8 50,9 0.832,10 4.355,11 0.742,12 0.695,13 0.833,14 0.576,15 0.823,16 14.628,17 1.467,18 3.441,19 1.384,20 1.357,21 1.576,23 22,24 247.193,25 247.193,26 247.193,27 247.193,28 247.193,29 21.135,30 267.551,31 6.302,32 4.424,33 3.933,34 1.299,35 1.259,36 2,37 0.309,38 5.179,39 0.066,40 1.129,41 0.073,42 1.183,43 0.292,44 1.52,45 3.467,46 -0.01,47 4.512,48 4.554,49 6.589,50 49.112,51 2.05,52 3.397,53 3.274,54 3.063,55 2.011,56 1.106,57 8.623,58 0.142,59 -0.145,60 212.845,61 212.845,62 6.443,63 6.494,64 212.845,65 212.845,66 1.552,67 4.962}
{0 CHEMBL2133502,1 317.82,2 8.614,3 20.842,4 20.554,5 1.131,6 1.599,7 1.602,8 38,9 1.045,10 4.466,11 0.942,12 0.626,13 1.077,14 0.937,15 0.984,16 22.603,17 1.417,18 3.564,19 1.476,20 1.409,21 1.733,22 1,23 33,24 388.446,25 388.446,26 388.446,27 388.446,28 388.446,29 39.224,30 131.086,31 9.534,32 6.128,33 3.905,34 1.399,35 1.338,36 15,37 0.192,38 5.558,39 0.105,40 1.095,41 0.1,42 1.582,43 0.374,44 1.007,45 3.296,46 0.076,47 4.531,48 4.419,49 7.698,50 56.875,51 1.747,52 3.503,53 3.284,54 3.241,55 1.965,56 1.269,57 13.121,58 0.18,59 -0.288,60 121.713,61 121.713,62 6.531,63 6.563,64 200.011,65 200.011,66 1.683,67 4.4}
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{0 CHEMBL585266,1 200.109,2 4.969,3 11.395,4 11.194,5 1.123,6 1.226,7 1.242,8 43.5,9 0.889,10 3.911,11 0.552,12 0.655,13 0.771,14 0.447,15 0.654,16 11.143,17 1.456,18 3.327,19 1.159,20 1.111,21 1.467,22 0.5,23 19,24 200.109,25 200.109,26 200.109,27 200.109,28 200.109,29 23.08,30 157.768,31 5.676,32 4.068,33 3.766,34 1.013,35 0.962,36 4,37 0.276,38 4.974,39 0.167,40 1.125,41 0.081,42 1.071,43 0.387,44 1.398,45 3.156,46 0.041,47 3.866,48 3.822,49 5.64,50 43.097,51 2.042,52 3.262,53 3.01,54 2.828,55 2.008,56 1.173,57 12.234,58 0.155,59 0.089,60 117.301,61 117.301,62 6.291,63 6.038,64 117.301,65 117.301,66 1.613,67 4.4}
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{0 CHEMBL7258,1 70.627,2 1.749,3 3.918,4 4.476,5 1.108,6 0.724,7 0.732,8 50,9 0.694,10 2.945,12 0.728,13 0.252,15 0.315,16 3.892,17 1.517,18 2.753,19 0.663,20 0.631,21 0.935,23 7,24 70.627,25 70.627,26 70.627,27 70.627,28 70.627,30 80.103,31 2.062,32 1.537,33 3.496,34 0.418,35 0.379,37 0.314,38 4.132,39 0.19,40 1.308,41 0.07,42 0.76,43 0.581,44 1.559,45 2.658,46 0.021,47 1.77,48 1.446,49 4.072,50 5.02,51 2.284,52 2.693,53 2.208,54 1.913,55 1.618,56 0.697,57 15.818,58 0.133,59 0.263,60 74.433,61 74.433,62 4.256,63 5.112,64 74.433,65 74.433,66 1.64,67 5.71}
{0 CHEMBL7644,1 105.94,2 2.351,3 4.691,4 5.031,5 1.111,6 0.846,7 0.869,8 48.1,9 0.818,10 3.135,11 0.259,12 0.703,13 0.514,15 0.356,16 4.995,17 1.493,18 2.824,19 0.729,20 0.713,21 1.049,23 9,24 105.94,25 105.94,26 105.94,27 105.94,28 105.94,30 96.229,31 2.454,32 1.657,33 3.522,34 0.651,35 0.6,36 1,37 0.311,38 4.229,39 0.164,40 1.308,41 0.07,42 0.94,43 0.574,44 1.514,45 2.865,46 0.096,47 1.66,48 1.789,49 4.009,50 5.02,51 2.236,52 2.786,53 2.214,54 1.912,55 1.662,56 0.726,57 4.186,58 0.134,59 0.104,60 90.559,61 90.559,62 4.745,63 5.256,64 90.559,65 90.559,66 1.62,67 5.833}
{0 CHEMBL7645,1 105.94,2 2.351,3 4.507,4 5.224,5 1.111,6 0.792,7 0.802,8 48.1,9 0.818,10 3.135,11 0.252,12 0.703,13 0.553,15 0.356,16 5.727,17 1.491,18 2.771,19 0.758,20 0.732,21 1.059,23 9,24 105.94,25 105.94,26 105.94,27 105.94,28 105.94,30 96.229,31 2.454,32 1.745,33 3.52,34 0.574,35 0.528,36 1,37 0.31,38 4.229,39 0.164,40 1.308,41 0.072,42 0.94,43 0.552,44 1.514,45 2.899,46 0.096,47 2.153,48 2.014,49 4.383,50 5.02,51 2.233,52 2.708,53 2.214,54 1.913,55 1.662,56 0.727,57 4.075,58 0.135,59 0.104,60 90.559,61 90.559,62 4.45,63 5.17,64 90.559,65 90.559,66 1.62,67 5.59}
{0 CHEMBL790,1 188.338,2 6.86,3 15.537,4 16.402,5 1.147,6 1.469,7 1.456,8 34.4,9 0.906,10 4.383,11 0.693,12 0.62,13 1.059,14 0.409,15 0.972,16 13.592,17 1.296,18 3.508,19 1.353,20 1.271,21 1.617,22 1,23 30,24 235.422,25 235.422,26 235.422,27 235.422,28 235.422,29 14.35,30 345.023,31 12.554,32 12.511,33 3.854,34 1.162,35 1.074,36 6,37 0.244,38 5.291,39 0.125,40 1,41 0.105,42 1.425,43 0.216,44 1.206,45 3.342,46 0.011,47 3.746,48 3.798,49 11.163,50 213.08,51 1.778,52 3.422,53 3.219,54 3.189,55 1.972,56 1.074,57 19.769,58 0.185,59 -0.075,60 110.271,61 110.271,62 5.819,63 6.022,64 188.568,65 188.568,66 1.617,67 4.63}