@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3773

@attribute molecule_id {CHEMBL355424,CHEMBL607640,CHEMBL607641,CHEMBL607651,CHEMBL608484,CHEMBL609063,CHEMBL609073,CHEMBL609082,CHEMBL610643,CHEMBL752}
@attribute AAC numeric
@attribute AMW numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2p numeric
@attribute ATSC2v numeric
@attribute ATSC3v numeric
@attribute Eta_epsi_A numeric
@attribute GATS1s numeric
@attribute GATS3i numeric
@attribute GATS4v numeric
@attribute GATS8e numeric
@attribute H. numeric
@attribute IC0 numeric
@attribute MATS1e numeric
@attribute MATS1s numeric
@attribute MATS2i numeric
@attribute MATS2p numeric
@attribute MATS4v numeric
@attribute Me numeric
@attribute MLOGP2 numeric
@attribute O. numeric
@attribute Psi_e_A numeric
@attribute Psi_i_A numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_v_3 numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin7_Bh.m. numeric
@attribute X5v numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2s numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.016 numeric
@attribute C.018 numeric
@attribute C.030 numeric
@attribute C.032 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_NL numeric
@attribute pXC50 numeric

@data
{1 1.973,2 8.854,3 51.213,4 3.462,5 5.679,6 6.306,7 8.244,8 0.7,9 1.108,10 1.265,11 0.997,12 1.222,13 41,14 1.973,15 -0.371,16 -0.325,17 0.178,18 0.037,19 -0.036,20 1.045,21 0.708,22 15.4,23 8.354,24 2.854,25 36.842,26 39.985,27 1.919,28 0.811,29 1.775,30 1.07,31 1.918,32 8.652,33 -1.712,34 2.931,35 77.482,36 0.4,37 3.83,38 3.932,39 3.694,40 3.219,41 5.019,42 3.246,43 4.4,44 4.524,45 3.975,46 3.603,47 5.973,48 3.633,49 4.608,50 4.773,51 3.934,52 3.718,53 5.847,54 3.71,55 4.726,56 4.93,57 3.895,58 3.741,59 5.911,60 3.7,61 4.638,62 4.856,63 3.872,64 3.71,65 5.815,66 3.629,67 4.597,68 4.798,69 3.838,70 3.593,71 6.049,72 3.545,73 4.432,74 4.627,75 3.579,76 3.442,77 5.762,78 3.348,79 4.279,80 4.513,81 3.386,82 3.181,83 5.648,84 3.08,85 0.423,86 0.575,87 10.235,88 3.471,89 1.067,90 0.866,91 16.856,92 124.67,93 1.075,94 0.972,95 22.158,96 6.963,97 104.737,98 1.343,99 0.978,100 27.879,101 7.323,102 132.69,103 9.086,104 1.148,105 0.914,106 26.254,107 7.563,108 107.098,109 9.533,110 1.28,111 0.798,112 27.071,113 6.754,114 161.362,115 8.137,116 1.014,117 0.68,118 22.478,119 6.153,120 101.75,121 6.717,122 0.866,123 0.52,124 20.625,125 4.3,126 107.497,127 5.584,128 40,129 38,130 0.355,131 0.739,132 0.883,133 0.893,134 0.893,135 0.893,136 3.189,137 0.993,138 -2.07,139 -2.12,140 -2.11,141 28.2,142 1,144 1,146 1,147 2,150 1,152 1,153 1,154 1,155 2,156 1,157 5,158 2,159 1,160 5,161 1,163 2.26}
{0 CHEMBL607640,1 1.961,2 8.674,3 61.246,4 4.007,5 6.073,6 7.228,7 8.969,8 0.699,9 1.138,10 1.165,11 0.979,12 1.008,13 42.2,14 1.961,15 -0.385,16 -0.333,17 0.12,18 -0.007,19 -0.025,20 1.046,21 0.136,22 15.6,23 8.396,24 2.896,25 32.228,26 35.372,27 1.887,28 0.975,29 1.787,30 1.098,31 1.948,32 10,33 -2.152,34 4.631,35 89.225,36 0.357,37 3.97,38 4.078,39 3.788,40 3.314,41 5.165,42 3.353,43 4.531,44 4.663,45 4.082,46 3.685,47 6.082,48 3.725,49 4.754,50 4.933,51 4.073,52 3.78,53 6.086,54 3.794,55 4.775,56 4.969,57 4.063,58 3.8,59 6.033,60 3.797,61 4.758,62 4.954,63 4.082,64 3.801,65 6.083,66 3.778,67 4.718,68 4.898,69 4.058,70 3.753,71 6.178,72 3.745,73 4.736,74 4.94,75 3.878,76 3.658,77 6.217,78 3.61,79 4.56,80 4.796,81 3.66,82 3.505,83 5.817,84 3.414,85 0.498,86 0.638,87 11.932,88 3.571,89 1.184,90 0.941,91 19.582,92 137.767,93 1.438,94 1.028,95 27.521,96 6.736,97 146.413,98 1.362,99 1.036,100 28.173,101 6.981,102 137.563,103 9.212,104 1.432,105 1.015,106 28.188,107 6.835,108 137.263,109 9.049,110 1.326,111 0.942,112 27.87,113 6.78,114 167.514,115 9.02,116 1.529,117 0.848,118 28.165,119 6.395,120 183.857,121 8.692,122 1.071,123 0.696,124 26.134,125 5.663,126 118.209,127 8.134,128 59,129 42,130 0.342,131 0.709,132 0.868,133 0.894,134 0.902,135 0.902,136 3.305,137 0.985,138 -1.6,139 -1.67,140 -1.7,141 26.7,142 1,146 2,147 3,151 1,152 1,153 1,154 1,155 2,157 5,159 1,160 7,161 1,163 2.377}
{0 CHEMBL607641,1 1.995,2 8.96,3 63.586,4 3.456,5 5.571,6 6.276,7 7.918,8 0.718,9 1.154,10 1.251,11 0.998,12 1.122,13 40.5,14 1.995,15 -0.415,16 -0.353,17 0.206,18 0.036,19 -0.048,20 1.052,21 0.008,22 16.7,23 8.452,24 2.952,25 29.694,26 32.837,27 1.857,28 0.785,29 1.765,30 1.06,31 1.902,32 9.36,33 -2.501,34 6.254,35 84.477,36 0.37,37 3.914,38 4.019,39 3.761,40 3.248,41 5.137,42 3.298,43 4.468,44 4.593,45 4.056,46 3.622,47 6.057,48 3.677,49 4.676,50 4.835,51 4.05,52 3.723,53 6.056,54 3.749,55 4.727,56 4.915,57 4.02,58 3.746,59 6.003,60 3.749,61 4.699,62 4.889,63 4.04,64 3.74,65 6.042,66 3.715,67 4.665,68 4.848,69 3.995,70 3.663,71 6.149,72 3.66,73 4.648,74 4.851,75 3.794,76 3.53,77 6.16,78 3.483,79 4.396,80 4.618,81 3.576,82 3.333,83 5.733,84 3.264,85 0.518,86 0.596,87 10.778,88 3.276,89 1.177,90 0.88,91 17.684,92 136.541,93 1.403,94 0.962,95 23.896,96 6.347,97 145.952,98 1.388,99 0.966,100 26.075,101 6.571,102 142.701,103 8.284,104 1.418,105 0.931,106 26.055,107 6.79,108 137.94,109 8.623,110 1.362,111 0.837,112 26.611,113 6.246,114 171.093,115 8.086,116 1.51,117 0.714,118 26.343,119 6.018,120 183.837,121 7.886,122 1.029,123 0.57,124 22.34,125 4.674,126 113.479,127 6.354,128 56,129 41,130 0.353,131 0.724,132 0.865,133 0.893,134 0.902,135 0.902,136 3.268,137 0.959,138 -1.32,139 -1.4,140 -1.46,141 26.2,145 1,146 1,147 3,151 1,152 1,153 1,154 1,155 2,157 5,159 1,160 7,163 2.538}
{0 CHEMBL607651,1 2.007,2 9.278,3 62.069,4 2.927,5 5.629,6 5.244,7 7,8 0.722,9 1.152,10 1.137,11 0.977,12 1.132,13 37.8,14 2.007,15 -0.387,16 -0.356,17 0.077,18 -0.108,19 0.009,20 1.05,21 0.211,22 16.2,23 8.484,24 2.984,25 39.548,26 40.796,27 1.849,28 0.771,29 1.768,30 0.94,31 1.803,32 8.652,33 -3.049,34 9.294,35 77.364,36 0.4,37 3.789,38 3.885,39 3.669,40 3.225,41 5.049,42 3.236,43 4.313,44 4.419,45 3.954,46 3.588,47 5.914,48 3.623,49 4.573,50 4.724,51 3.943,52 3.652,53 6.029,54 3.673,55 4.579,56 4.777,57 3.867,58 3.651,59 5.826,60 3.628,61 4.523,62 4.709,63 3.876,64 3.612,65 5.886,66 3.566,67 4.47,68 4.648,69 3.84,70 3.479,71 6.033,72 3.474,73 4.361,74 4.541,75 3.582,76 3.327,77 5.996,78 3.27,79 4.115,80 4.347,81 3.334,82 3.104,83 5.519,84 3.004,85 0.435,86 0.575,87 8.549,88 3.54,89 0.836,90 0.854,91 14.009,92 114.425,93 1.201,94 0.928,95 19.267,96 6.38,97 141.689,98 1.104,99 0.913,100 22.652,101 6.692,102 117.472,103 7.656,104 1.12,105 0.839,106 21.282,107 6.779,108 127.293,109 7.527,110 1.201,111 0.73,112 23.332,113 6.136,114 167.196,115 6.674,116 1.169,117 0.63,118 18.844,119 5.288,120 166.067,121 5.663,122 0.767,123 0.499,124 17.613,125 4.018,126 100.823,127 4.756,128 40,129 38,130 0.363,131 0.763,132 0.884,133 0.904,134 0.914,135 0.914,136 3.189,137 0.978,138 -0.77,139 -0.88,140 -1,141 29.7,147 3,148 1,149 1,150 1,152 1,153 1,154 1,155 1,157 4,158 1,159 1,160 3,162 1,163 2.699}
{0 CHEMBL608484,1 1.989,2 9.032,3 64.02,4 3.354,5 5.657,6 6.091,7 7.907,8 0.719,9 1.152,10 1.126,11 1.065,12 1.061,13 40,14 1.989,15 -0.396,16 -0.351,17 0.122,18 -0.003,19 -0.068,20 1.052,21 0.016,22 17.5,23 8.478,24 2.978,25 32.25,26 35.393,27 1.862,28 0.784,29 1.768,30 0.968,31 1.804,32 8.667,33 -2.453,34 6.017,35 78.788,36 0.385,37 3.865,38 3.961,39 3.727,40 3.229,41 5.092,42 3.271,43 4.425,44 4.536,45 4.03,46 3.608,47 6.025,48 3.661,49 4.667,50 4.816,51 4.054,52 3.74,53 6.034,54 3.749,55 4.737,56 4.916,57 4.05,58 3.799,59 6.027,60 3.779,61 4.79,62 4.974,63 3.983,64 3.75,65 6.165,66 3.708,67 4.669,68 4.881,69 3.908,70 3.586,71 6.121,72 3.569,73 4.495,74 4.676,75 3.71,76 3.429,77 6.084,78 3.384,79 4.276,80 4.514,81 3.443,82 3.227,83 5.614,84 3.138,85 0.498,86 0.577,87 10.176,88 3.458,89 1.12,90 0.862,91 16.348,92 137.024,93 1.427,94 0.966,95 22.863,96 7.015,97 150.922,98 1.414,99 0.993,100 29.258,101 8.2,102 138.93,103 9.025,104 1.722,105 0.92,106 29.646,107 7.886,108 194.167,109 9.251,110 1.501,111 0.777,112 30.984,113 6.816,114 194.335,115 8.678,116 1.328,117 0.671,118 21.796,119 5.644,120 171.589,121 6.716,122 0.889,123 0.544,124 20.357,125 4.168,126 108.004,127 5.61,128 53,129 40,130 0.356,131 0.717,132 0.851,133 0.896,134 0.905,135 0.905,136 3.229,137 0.97,138 -1.35,139 -1.44,140 -1.5,141 27.5,142 1,147 4,150 1,152 1,153 1,154 1,155 2,157 5,158 1,159 1,160 5,163 2.699}
{0 CHEMBL609063,1 1.973,2 8.854,3 61.101,4 3.518,5 6.363,6 6.521,7 8.471,8 0.7,9 1.111,10 1.118,11 0.968,12 1.09,13 41,14 1.973,15 -0.36,16 -0.31,17 0.049,18 -0.139,19 0.006,20 1.045,21 0.142,22 15.4,23 8.441,24 2.941,25 25.959,26 27.207,27 1.87,28 0.838,29 1.772,30 0.978,31 2.163,32 8.652,33 -2.921,34 8.535,35 77.381,36 0.4,37 3.83,38 3.934,39 3.673,40 3.255,41 5.043,42 3.256,43 4.383,44 4.508,45 3.964,46 3.647,47 5.894,48 3.656,49 4.684,50 4.851,51 3.96,52 3.723,53 6.057,54 3.72,55 4.701,56 4.909,57 3.885,58 3.716,59 5.898,60 3.68,61 4.634,62 4.841,63 3.887,64 3.67,65 5.927,66 3.608,67 4.555,68 4.75,69 3.848,70 3.532,71 6.054,72 3.51,73 4.444,74 4.639,75 3.595,76 3.393,77 6.014,78 3.319,79 4.207,80 4.448,81 3.35,82 3.18,83 5.544,84 3.064,85 0.417,86 0.591,87 9.84,88 3.671,89 0.857,90 0.891,91 17.686,92 125.678,93 1.332,94 0.966,95 25.123,96 7.213,97 168.015,98 1.25,99 0.948,100 27.501,101 7.279,102 141.984,103 9.008,104 1.214,105 0.87,106 26.064,107 7.273,108 141.234,109 8.916,110 1.253,111 0.75,112 26.562,113 6.358,114 172.79,115 7.715,116 1.199,117 0.66,118 21.432,119 5.514,120 166.632,121 6.607,122 0.777,123 0.526,124 19.33,125 4.14,126 99.603,127 5.461,128 40,129 38,130 0.355,131 0.723,132 0.865,133 0.896,134 0.905,135 0.905,136 3.189,137 1.028,138 -0.85,139 -0.96,140 -1.07,141 28.2,143 1,146 1,147 3,150 1,152 1,153 1,154 1,155 1,157 4,158 1,159 1,160 3,162 1,163 2.377}
{0 CHEMBL609073,1 1.961,2 8.674,3 59.4,4 4,5 5.83,6 6.97,7 8.902,8 0.699,9 1.136,10 1.417,11 0.868,12 1.126,13 42.2,14 1.961,15 -0.375,16 -0.336,17 0.288,18 0.107,19 0.078,20 1.046,21 0.136,22 15.6,23 8.396,24 2.896,25 38.09,26 41.233,27 1.878,28 0.868,29 1.777,30 1.112,31 1.983,32 9.462,33 -2.147,34 4.61,35 88.712,36 0.357,37 3.97,38 4.077,39 3.791,40 3.306,41 5.17,42 3.346,43 4.535,44 4.676,45 4.093,46 3.684,47 6.076,48 3.733,49 4.73,50 4.882,51 4.099,52 3.81,53 6.098,54 3.824,55 4.849,56 5.065,57 4.064,58 3.835,59 6.066,60 3.823,61 4.751,62 4.937,63 4.101,64 3.824,65 6.074,66 3.795,67 4.752,68 4.936,69 4.064,70 3.776,71 6.207,72 3.768,73 4.778,74 4.995,75 3.862,76 3.673,77 6.215,78 3.605,79 4.535,80 4.763,81 3.676,82 3.476,83 5.811,84 3.405,85 0.494,86 0.636,87 11.872,88 3.525,89 1.219,90 0.946,91 20.321,92 135.859,93 1.344,94 1.062,95 24.61,96 6.936,97 134.866,98 1.492,99 1.072,100 31.906,101 7.167,102 149.073,103 9.868,104 1.378,105 1.034,106 27.33,107 7.336,108 130.132,109 9.559,110 1.375,111 0.972,112 28.639,113 6.616,114 167.831,115 8.943,116 1.566,117 0.841,118 30.33,119 7.008,120 184.272,121 9.684,122 1.112,123 0.672,124 26.049,125 5.529,126 111.706,127 7.683,128 71,129 43,130 0.342,131 0.693,132 0.826,133 0.852,134 0.86,135 0.86,136 3.305,137 0.965,138 -1.6,139 -1.67,140 -1.7,141 26.7,145 2,146 1,147 3,151 1,152 1,153 1,154 1,155 2,157 7,159 1,160 5,163 2.125}
{0 CHEMBL609082,1 2.029,2 9.289,3 73.419,4 2.898,5 5.324,6 5.563,7 6.951,8 0.74,9 1.213,10 1.187,11 1.067,12 1.132,13 38.5,14 2.029,15 -0.462,16 -0.398,17 0.168,18 0.001,19 -0.083,20 1.059,21 0.042,22 17.9,23 8.554,24 3.054,25 21.297,26 24.441,27 1.844,28 0.75,29 1.76,30 1.022,31 1.802,32 8.75,33 -3.056,34 9.339,35 78.984,36 0.385,37 3.855,38 3.957,39 3.73,40 3.187,41 5.12,42 3.247,43 4.396,44 4.501,45 4.033,46 3.567,47 6.047,48 3.632,49 4.622,50 4.774,51 4.007,52 3.664,53 6.034,54 3.698,55 4.666,56 4.848,57 3.976,58 3.68,59 5.978,60 3.684,61 4.644,62 4.839,63 3.976,64 3.649,65 6.03,66 3.628,67 4.569,68 4.751,69 3.92,70 3.535,71 6.103,72 3.54,73 4.498,74 4.684,75 3.721,76 3.364,77 6.123,78 3.343,79 4.233,80 4.448,81 3.465,82 3.167,83 5.685,84 3.1,85 0.539,86 0.555,87 9.673,88 3.029,89 1.137,90 0.826,91 15.01,92 139.168,93 1.419,94 0.893,95 21.61,96 5.941,97 153.89,98 1.393,99 0.881,100 23.885,101 6.531,102 155.84,103 7.848,104 1.453,105 0.826,106 24.859,107 6.251,108 153.873,109 7.692,110 1.353,111 0.703,112 24.829,113 5.889,114 182.198,115 7.287,116 1.434,117 0.589,118 22.256,119 5.022,120 191.668,121 6.056,122 0.926,123 0.469,124 18.397,125 3.814,126 126.119,127 5,128 53,129 40,130 0.365,131 0.734,132 0.846,133 0.896,134 0.905,135 0.905,136 3.229,137 0.943,138 -1.03,139 -1.13,140 -1.22,141 25.6,146 1,147 3,151 1,152 2,153 2,154 2,155 2,157 5,159 3,160 7,163 2.456}
{0 CHEMBL610643,1 2.167,2 10.316,3 73.006,4 2.458,5 5.267,6 4.673,7 6.483,8 0.772,9 1.17,10 1.166,11 0.98,12 1.181,13 35.1,14 2.167,15 -0.444,16 -0.372,17 0.12,18 -0.022,19 -0.006,20 1.068,21 0.154,22 18.9,23 8.559,24 3.059,25 61.19,26 64.333,27 1.827,28 0.748,29 1.755,30 0.874,31 1.893,32 8.75,33 -1.975,34 3.9,35 79.836,36 0.385,37 3.81,38 3.892,39 3.767,40 3.192,41 5.072,42 3.244,43 4.364,44 4.453,45 4.102,46 3.563,47 6.039,48 3.629,49 4.581,50 4.718,51 4.064,52 3.671,53 6.006,54 3.695,55 4.633,56 4.805,57 4.076,58 3.677,59 5.964,60 3.678,61 4.587,62 4.761,63 4.072,64 3.658,65 5.995,66 3.622,67 4.471,68 4.618,69 3.995,70 3.499,71 6.067,72 3.511,73 4.411,74 4.569,75 3.85,76 3.365,77 6.095,78 3.336,79 4.118,80 4.304,81 3.584,82 3.143,83 5.622,84 3.066,85 0.563,86 0.529,87 7.146,88 3.449,89 1.156,90 0.789,91 12.655,92 138.602,93 1.462,94 0.861,95 18.644,96 6.789,97 157.967,98 1.479,99 0.837,100 22.499,101 6.905,102 162.669,103 7.041,104 1.512,105 0.753,106 25.54,107 7.275,108 154.941,109 7.439,110 1.367,111 0.652,112 23.756,113 6.474,114 176.647,115 6.18,116 1.39,117 0.545,118 20.006,119 5.588,120 185.039,121 5.237,122 0.933,123 0.418,124 20.064,125 4.476,126 115.095,127 4.457,128 53,129 40,130 0.395,131 0.757,132 0.866,133 0.899,134 0.909,135 0.909,136 3.229,137 0.975,138 -1.62,139 -1.69,140 -1.72,141 27,146 1,147 3,151 1,152 1,153 1,154 1,155 2,157 5,158 2,159 1,160 5,163 2.569}
{0 CHEMBL752,1 2.026,2 9.385,3 67.627,4 2.792,5 5.116,6 5.089,7 6.835,8 0.742,9 1.163,10 1.178,11 1.035,12 1.121,13 37.8,14 2.026,15 -0.432,16 -0.362,17 0.144,18 0.008,19 -0.06,20 1.059,21 0.028,22 18.9,23 8.528,24 3.028,25 28.017,26 31.16,27 1.849,28 0.754,29 1.757,30 0.924,31 1.746,32 8.652,33 -2.83,34 8.011,35 74.369,36 0.4,37 3.803,38 3.893,39 3.698,40 3.156,41 5.054,42 3.211,43 4.355,44 4.455,45 3.984,46 3.532,47 5.996,48 3.595,49 4.574,50 4.719,51 3.96,52 3.626,53 5.987,54 3.653,55 4.623,56 4.807,57 3.899,58 3.627,59 5.908,60 3.624,61 4.571,62 4.764,63 3.894,64 3.58,65 5.934,66 3.546,67 4.455,68 4.62,69 3.853,70 3.44,71 6.024,72 3.454,73 4.394,74 4.571,75 3.616,76 3.278,77 6.033,78 3.244,79 4.091,80 4.308,81 3.353,82 3.042,83 5.505,84 2.964,85 0.519,86 0.536,87 8.982,88 3.172,89 1.114,90 0.799,91 14.202,92 134.835,93 1.378,94 0.868,95 20.436,96 6.224,97 148.339,98 1.374,99 0.848,100 23.37,101 6.376,102 149.596,103 7.359,104 1.403,105 0.772,106 23.988,107 6.485,108 143.245,109 7.572,110 1.259,111 0.658,112 22.26,113 5.663,114 166.123,115 6.338,116 1.312,117 0.556,118 19.617,119 4.882,120 173.519,121 5.409,122 0.822,123 0.428,124 16.832,125 3.665,126 102.845,127 4.483,128 40,129 38,130 0.369,131 0.747,132 0.866,133 0.899,134 0.909,135 0.909,136 3.189,137 0.955,138 -1.06,139 -1.16,140 -1.25,141 27,146 1,147 3,150 1,152 1,153 1,154 1,155 2,157 5,159 1,160 5,163 3.237}