"molecule_id","ATS2i","SpMin6_Bh.m.","ATSC5m","ATSC6v","SpMin5_Bh.m.","ATS2e","ATS4e","ATS4i","ATSC2v","SpMin7_Bh.i.","SpMin5_Bh.s.","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.094","C.","C.001","C.002","C.003","C.004","C.005","C.006","C.008","C.009","pXC50"
{1 4.468,2 1.259,3 19.997,4 9.636,5 1.409,6 4.342,7 4.58,8 4.762,9 7.342,10 0.821,11 0.462,12 1.682,13 10.037,14 3.884,15 15.085,16 105.742,17 8.778,18 0.767,19 3.876,20 3.969,21 3.685,22 3.557,23 5.067,24 3.514,25 3.966,26 3.915,27 5.557,28 3.863,29 4.56,30 4.722,31 3.994,32 3.994,33 5.781,34 3.931,35 3.908,36 3.95,37 5.751,38 3.886,39 4.601,40 4.819,41 3.857,42 3.946,43 5.646,44 3.871,45 4.499,46 4.692,47 3.898,48 3.935,49 5.602,50 3.856,51 4.493,52 4.659,53 3.897,54 3.953,55 5.719,56 3.858,57 4.594,58 4.821,59 3.718,60 3.862,61 5.71,62 3.742,63 0.057,64 0.666,65 7.483,66 3.94,67 8.578,68 4.237,69 0.115,70 1.074,71 14.667,72 6.738,73 15.682,74 0.247,75 1.318,76 18.974,77 8.268,78 43.026,79 8.97,80 0.275,81 1.334,82 19.434,83 7.928,84 40.885,85 8.824,86 0.302,87 1.29,88 7.981,89 39.294,90 9.967,91 0.252,92 1.223,93 17.439,94 7.486,95 31.067,96 0.242,97 1.216,98 16.215,99 7.987,100 27.859,101 9.813,102 0.261,103 1.31,104 21.198,105 8.944,106 39.575,107 10.966,108 11,109 42,110 0.287,111 0.569,112 0.703,113 0.795,114 0.81,115 0.81,116 3.341,117 0.988,118 -4.92,119 -4.83,120 -4.53,122 48.8,127 1,131 5}
{0 CHEMBL101253,1 4.398,2 1.181,3 17.499,4 7.282,5 1.344,6 4.262,7 4.515,8 4.732,9 6.527,10 0.821,11 0.418,12 1.496,13 10.4,14 4.705,15 22.138,16 100.976,17 8.671,18 0.821,19 3.803,20 3.913,21 3.514,22 3.464,23 4.975,24 3.437,25 3.86,26 3.837,27 5.382,28 3.788,29 4.511,30 4.697,31 3.901,32 3.938,33 5.564,34 3.861,35 3.756,36 3.84,37 5.52,38 3.754,39 4.451,40 4.676,41 3.759,42 3.782,43 5.493,44 3.723,45 4.382,46 4.579,47 3.717,48 3.806,49 5.456,50 3.734,51 4.37,52 4.573,53 3.668,54 3.781,55 5.403,56 3.675,57 4.285,58 4.512,59 3.486,60 3.609,61 5.255,62 3.465,63 0.036,64 0.569,65 5.871,66 3.065,67 6.797,68 3.852,69 0.051,70 0.892,71 10.545,72 5.141,73 10.565,74 0.15,75 1.134,76 18.583,77 7.031,78 22.023,79 8.915,80 0.152,81 1.147,82 19.99,83 7.228,84 24.391,85 9.299,86 0.206,87 1.11,88 6.324,89 25.7,90 8.142,91 0.186,92 1.026,93 15.521,94 5.816,95 22.825,96 0.139,97 0.952,98 15.408,99 6.574,100 20.483,101 8.757,102 0.115,103 0.837,104 16.149,105 6.477,106 20.375,107 8.711,108 2,109 38,110 0.259,111 0.558,112 0.709,113 0.819,114 0.836,115 0.845,116 3.267,117 0.893,118 -5.43,119 -5.31,120 -4.96,122 50,124 1,131 5}
{0 CHEMBL103667,1 5.161,2 1.645,3 46.823,4 18.535,5 1.687,6 4.975,7 5.354,8 5.615,9 16.193,10 1.295,11 0.925,12 1.476,13 15.333,14 5.907,15 34.897,16 153.448,17 6.944,18 0.512,19 4.416,20 4.543,21 3.928,22 3.926,23 5.446,24 3.899,25 4.296,26 4.324,27 5.966,28 4.279,29 5.224,30 5.428,31 4.344,32 4.489,33 6.191,34 4.408,35 4.314,36 4.494,37 6.25,38 4.385,39 5.289,40 5.537,41 4.298,42 4.402,43 6.266,44 4.322,45 5.161,46 5.377,47 4.272,48 4.38,49 6.186,50 4.313,51 5.213,52 5.426,53 4.329,54 4.471,55 6.285,56 4.385,57 5.328,58 5.566,59 4.237,60 4.518,61 6.285,62 4.402,63 0.071,64 1.114,65 17.099,66 7.024,67 11.85,68 9.626,69 0.407,70 1.786,71 32.2,72 11.499,73 38.337,74 0.522,75 2.215,76 41.95,77 14.363,78 49.844,79 20.619,80 0.467,81 2.375,82 49.157,83 16.419,84 58.81,85 24.524,86 0.653,87 2.184,88 14.355,89 69.806,90 21.162,91 0.568,92 2.014,93 40.251,94 12.847,95 62.036,96 0.461,97 2.159,98 41.436,99 14.686,100 73.226,101 21.166,102 0.588,103 2.318,104 47.773,105 16.237,106 80.539,107 23.357,108 27,109 61,110 0.226,111 0.537,112 0.702,113 0.788,114 0.812,115 0.816,116 3.693,117 0.941,118 -5.07,119 -4.97,120 -4.65,122 40.8,123 4,126 1,128 6,131 5}
{0 CHEMBL105442,1 4.4,2 1.163,3 12.827,4 6.804,5 1.26,6 4.273,7 4.473,8 4.655,9 6.332,10 0.824,11 0.284,12 1.983,13 9.88,14 4.908,15 24.087,16 99.228,17 12.274,18 0.444,19 3.792,20 3.884,21 3.775,22 3.435,23 5.022,24 3.394,25 4.197,26 3.786,27 5.534,28 3.708,29 4.519,30 4.69,31 4.354,32 3.863,33 6.008,34 3.773,35 4.497,36 3.765,37 5.852,38 3.678,39 4.37,40 4.525,41 4.097,42 3.624,43 5.907,44 3.633,45 4.392,46 4.524,47 4.225,48 3.733,49 6.046,50 3.707,51 4.409,52 4.554,53 4.266,54 3.714,55 5.974,56 3.646,57 4.31,58 4.504,59 4.362,60 3.646,61 5.56,62 3.482,63 0.19,64 0.668,65 0.871,66 3.405,67 18.075,68 3.508,69 0.379,70 1.031,71 4.693,72 6.413,73 38.569,74 0.857,75 1.404,76 33.685,77 9.985,78 101.366,79 8.732,80 0.789,81 1.191,82 46.152,83 9.47,84 78.619,85 7.529,86 0.793,87 1.123,88 6.22,89 106.151,90 5.258,91 0.863,92 1.152,93 19.438,94 7.893,95 106.636,96 0.91,97 1.123,98 11.633,99 7.74,100 109.321,101 6.234,102 0.65,103 1.068,104 22.075,105 9.053,106 79.569,107 7.243,108 26,109 38,110 0.355,111 0.704,112 0.829,113 0.891,114 0.891,115 0.891,116 3.267,117 1.004,118 -5.59,119 -5.46,120 -5.09,122 43.6,124 2,125 1,128 1,131 5}
{0 CHEMBL1173655,1 4.893,2 1.577,3 28.054,4 13.739,5 1.665,6 4.726,7 4.967,8 5.208,9 10.323,10 1.208,11 0.793,12 1.772,13 12.294,14 3.917,15 15.346,16 129.707,17 8.237,18 0.459,19 4.189,20 4.302,21 3.832,22 3.687,23 5.339,24 3.692,25 4.197,26 4.056,27 5.876,28 4.048,29 4.942,30 5.121,31 4.274,32 4.171,33 6.139,34 4.13,35 4.165,36 4.132,37 6.015,38 4.071,39 4.859,40 5.044,41 4.213,42 4.152,43 6.044,44 4.113,45 4.952,46 5.142,47 4.295,48 4.21,49 6.103,50 4.177,51 5.02,52 5.215,53 4.308,54 4.226,55 6.246,56 4.183,57 4.972,58 5.17,59 4.257,60 4.155,61 6.172,62 4.11,63 0.126,64 0.934,65 10.471,66 5.109,67 11.754,68 6.243,69 0.505,70 1.435,71 22.484,72 8.349,73 37.14,74 0.846,75 1.652,76 32.099,77 10.804,78 74.613,79 13.267,80 0.744,81 1.618,82 35.818,83 11.177,84 69.081,85 15.245,86 0.694,87 1.557,88 10.023,89 61.354,90 13.071,91 0.675,92 1.688,93 29.735,94 10.483,95 57.05,96 0.913,97 1.738,98 33.344,99 10.965,100 99.041,101 14.109,102 0.789,103 1.647,104 34.542,105 11.01,106 79.644,107 14.064,108 32,109 51,110 0.287,111 0.661,112 0.834,113 0.882,114 0.882,115 0.882,116 3.561,117 0.903,118 -4.06,119 -4.01,120 -3.8,122 40.7,124 1,127 2,128 3,129 1,131 5.319}
{0 CHEMBL119385,1 4.313,2 1.114,3 12.655,4 4.465,5 1.121,6 4.233,7 4.438,8 4.536,9 3.606,10 0.825,11 0.188,12 2.02,13 10.857,14 5.899,15 34.795,16 108.721,17 11.791,18 0.387,19 3.774,20 3.838,21 3.754,22 3.491,23 5.111,24 3.475,25 4.208,26 3.877,27 5.662,28 3.854,29 4.482,30 4.592,31 4.384,32 4.012,33 5.898,34 3.974,35 4.398,36 3.951,37 6.022,38 3.907,39 4.407,40 4.505,41 4.383,42 3.838,43 6.04,44 3.841,45 4.352,46 4.493,47 4.1,48 3.765,49 5.776,50 3.725,51 4.206,52 4.376,53 3.773,54 3.576,55 5.546,56 3.494,57 3.952,58 4.131,59 3.814,60 3.378,61 5.329,62 3.275,63 0.206,64 0.631,65 0.365,66 2.485,67 21.925,68 2.257,69 0.385,70 1.026,71 1.321,72 4.245,73 37.279,74 0.661,75 1.354,76 13.947,77 7.433,78 83.324,79 5.947,80 0.817,81 1.307,82 16.405,83 7.013,84 110.113,85 5.367,86 0.753,87 1.119,88 6.115,89 80.618,90 4.523,91 0.674,92 1.044,93 9.362,94 5.601,95 70.44,96 0.581,97 0.955,98 14.148,99 5.842,100 62.946,101 5.374,102 0.47,103 0.837,104 15.059,105 5.159,106 56.905,107 4.94,108 26,109 45,110 0.356,111 0.661,112 0.797,113 0.88,114 0.88,115 0.88,116 3.375,117 0.917,118 -6.72,119 -6.54,120 -6.06,122 51.4,131 5}
{0 CHEMBL1230020,1 4.493,2 1.202,3 17.657,4 6.642,5 1.376,6 4.377,7 4.633,8 4.775,9 6.806,10 0.814,11 0.631,12 2.082,13 10,14 3.768,15 14.197,16 98.861,17 10.094,18 0.552,19 3.85,20 3.929,21 3.793,22 3.455,23 5.092,24 3.441,25 4.109,26 3.831,27 5.867,28 3.816,29 4.639,30 4.795,31 4.219,32 3.907,33 6.08,34 3.898,35 4.268,36 3.839,37 6.398,38 3.861,39 4.566,40 4.696,41 4.176,42 3.776,43 6.311,44 3.796,45 4.493,46 4.637,47 4.131,48 3.713,49 6.047,50 3.736,51 4.464,52 4.621,53 4.02,54 3.632,55 6.303,56 3.635,57 4.354,58 4.54,59 3.938,60 3.524,61 5.865,62 3.479,63 0.225,64 0.758,65 5.948,66 3.96,67 39.021,68 3.501,69 0.571,70 1.185,71 13.505,72 7.01,73 90.283,74 0.941,75 1.471,76 23.616,77 9.001,78 143.309,79 8.416,80 1.292,81 1.6,82 24.487,83 9.13,84 227.35,85 7.35,86 1.187,87 1.303,88 7.732,89 198.265,90 6.459,91 0.968,92 1.433,93 19.899,94 7.853,95 154.093,96 1.18,97 1.35,98 14.778,99 7.11,100 213.546,101 6.515,102 0.907,103 1.03,104 20.115,105 7.122,106 129.051,107 6.493,108 54,109 43,110 0.362,111 0.736,112 0.857,113 0.885,114 0.885,115 0.885,116 3.341,117 1.026,118 -3.76,119 -3.72,120 -3.54,122 41.5,123 1,124 1,128 1,131 5}
{0 CHEMBL1236107,1 4.44,2 1.196,3 16.434,4 5.218,5 1.482,6 4.294,7 4.391,8 4.585,9 5.044,10 0.904,11 0.568,12 1.623,13 10.731,14 3.403,15 11.578,16 103.098,17 9.217,18 0.867,19 3.829,20 3.94,21 3.642,22 3.455,23 5.026,24 3.437,25 4.046,26 3.831,27 5.445,28 3.809,29 4.428,30 4.597,31 4.039,32 3.91,33 5.552,34 3.836,35 3.875,36 3.811,37 5.447,38 3.719,39 4.291,40 4.491,41 3.827,42 3.7,43 5.335,44 3.618,45 4.228,46 4.422,47 3.757,48 3.628,49 5.318,50 3.567,51 4.165,52 4.358,53 3.696,54 3.532,55 5.303,56 3.485,57 4.023,58 4.213,59 3.466,60 3.445,61 5.121,62 3.387,63 0.097,64 0.691,65 5.169,66 3.012,67 6.507,68 3.276,69 0.186,70 1.1,71 11.121,72 4.777,73 10.517,74 0.242,75 1.226,76 16.502,77 6.462,78 20.241,79 6.669,80 0.225,81 1.132,82 15.46,83 6.453,84 19.77,85 7.127,86 0.239,87 1.046,88 5.982,89 16.004,90 6.385,91 0.197,92 0.988,93 14.325,94 5.214,95 17.168,96 0.321,97 0.968,98 14.677,99 4.658,100 19.123,101 4.673,102 0.143,103 0.762,104 8.904,105 4.082,106 13.225,107 4.966,108 2,109 43,110 0.28,111 0.629,112 0.794,113 0.889,114 0.889,115 0.889,116 3.305,117 0.882,118 -4.86,119 -4.77,120 -4.48,122 46.2,127 1,131 5}
{0 CHEMBL1241674,1 4.466,2 1.218,3 18.105,4 7.339,5 1.417,6 4.295,7 4.592,8 4.824,9 6.93,10 0.804,11 0.469,12 1.606,13 8.043,14 2.744,15 7.527,16 89.221,17 7.907,18 0.769,19 3.809,20 3.94,21 3.427,22 3.316,23 4.998,24 3.326,25 3.836,26 3.718,27 5.44,28 3.717,29 4.504,30 4.699,31 3.871,32 3.811,33 5.636,34 3.793,35 3.845,36 3.812,37 5.701,38 3.771,39 4.484,40 4.702,41 3.686,42 3.731,43 5.562,44 3.674,45 4.411,46 4.62,47 3.621,48 3.669,49 5.521,50 3.617,51 4.498,52 4.765,53 3.399,54 3.616,55 5.519,56 3.508,57 4.324,58 4.618,59 3.148,60 3.372,61 5.26,62 3.239,63 0.1,64 0.657,65 7.475,66 2.975,67 11.951,68 3.847,69 0.171,70 1.031,71 13.36,72 5.062,73 18.42,74 0.28,75 1.193,76 17.675,77 5.714,78 26.54,79 7.973,80 0.4,81 1.242,82 20.893,83 6.472,84 37.848,85 9.343,86 0.359,87 1.111,88 5.797,89 31.978,90 8.239,91 0.224,92 1.06,93 16.204,94 5.097,95 27.427,96 0.372,97 1.019,98 20.418,99 5.868,100 41.837,101 8.859,102 0.277,103 0.775,104 18.592,105 5.846,106 29.432,107 8.887,108 18,109 39,110 0.282,111 0.702,112 0.803,113 0.839,114 0.839,115 0.839,116 3.19,117 0.848,118 -4.06,119 -4.01,120 -3.79,122 41,123 2,129 1,131 5}
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{0 CHEMBL941,1 5.033,2 1.591,3 39.659,4 15.945,5 1.728,6 4.838,7 5.205,8 5.466,9 13.227,10 1.136,11 0.825,12 1.468,13 16.73,14 4.221,15 17.813,16 146.651,17 7.26,18 0.585,19 4.309,20 4.443,21 3.863,22 3.85,23 5.388,24 3.826,25 4.197,26 4.233,27 5.866,28 4.187,29 5.077,30 5.286,31 4.239,32 4.395,33 6.061,34 4.31,35 4.145,36 4.367,37 6.139,38 4.247,39 5.13,40 5.402,41 4.135,42 4.291,43 6.073,44 4.196,45 4.967,46 5.186,47 4.111,48 4.268,49 6.004,50 4.179,51 5.016,52 5.264,53 4.026,54 4.248,55 5.971,56 4.136,57 4.9,58 5.125,59 3.986,60 4.166,61 5.937,62 4.067,63 0.042,64 1.057,65 14.153,66 5.707,67 10.591,68 7.967,69 0.335,70 1.689,71 26.501,72 9.172,73 28.678,74 0.267,75 2.03,76 34.233,77 12.408,78 36.8,79 17.809,80 0.379,81 2.115,82 41.833,83 14.546,84 57.714,85 21.321,86 0.4,87 1.949,88 12.896,89 56.06,90 19.119,91 0.404,92 1.798,93 31.238,94 11.142,95 47.554,96 0.357,97 1.761,98 34.142,99 12.405,100 47.321,101 17.862,102 0.328,103 1.59,104 29.721,105 10.944,106 50.027,107 15.574,108 10,109 56,110 0.229,111 0.549,112 0.732,113 0.824,114 0.859,115 0.859,116 3.642,117 0.911,118 -4.14,119 -4.08,120 -3.86,122 42.6,123 1,127 1,128 5,131 5}