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{0 CHEMBL1472699,1 1.981,2 0.16,3 1.386,8 0.108,9 1.23,10 1.02,11 0.7,14 1,15 1,17 1,18 1,22 3.727,23 2.374,24 -0.591,25 0.578,26 0.389,27 0.653,28 0.573,29 0.375,30 -0.216,31 -0.33,32 -2.465,33 1,34 1,35 0.092,36 1,37 4.173,38 5.985,39 7.75,40 8.666,41 9.496,42 10.384,43 11.233,44 -0.591,45 12.108,46 12.965,47 5.066,48 5.374,49 4.375,50 6.351,51 3.727,52 2.374,53 0.792,54 0.185,55 0.922,56 4.9,57 0.376,58 25.248,59 4.11,60 2.492,61 2.463,62 2.25,63 4.906,64 4.906,65 4.906,66 4.906,67 4.906,68 4.723,69 4.927,70 3.373,71 3.373,72 3.373,73 3.373,74 3.373,75 3.081,76 3.414,77 2.741,78 18,79 -0.39,80 -0.458,81 -1.554,82 -1.383,83 -1.776,84 -1.912,85 -1.782,90 4.75,91 9.778,92 0.216,93 1.3,94 2.967,95 4.636,96 2.079,97 2.079,98 7,99 2.197,100 2.933,101 3.783,102 24.75,103 0.026,104 24,105 8,108 -1.776,109 5.197,110 1.46,111 3.693,112 3.313,113 1.144,114 0.909,115 1.116,116 2.708,117 51.977,118 2.293,119 1.997,120 1.698,121 3.01,122 1.577,123 1.19,124 4.905,125 4.66,126 4.03,127 2.086,128 1.043,129 0.481,130 0.388,131 -0.589,132 -0.573,133 -0.815,134 2.974,135 2.079,136 1.609,140 4.844,141 5.557,142 6.29,143 7.013,144 7.745,145 8.472,146 9.202,147 3.784,148 2.303,149 1.792,150 7,151 9.974,152 4.078,153 4.691,154 2.805,155 5.572,156 7.185,157 4.234,158 8.292,159 4.174,160 8.855,161 8.166,162 5.964,163 6.678,164 5.865,165 9.473,166 10.793,167 7.684,168 9.554,169 10.464,170 -0.589,171 11.445,172 12.377,173 13.343,174 14.287,175 5.505,176 5.176,177 3.222}
{0 CHEMBL1950173,1 0.7,2 0.662,3 4.839,4 4.834,5 4.983,6 5.262,7 5.571,8 0.596,9 -3.77,10 -3.73,11 -3.55,12 1,13 3,16 6,19 7,20 2,21 3,22 3.733,23 2.341,24 2.7,25 0.469,26 0.821,27 1.483,28 1.538,29 0.875,30 -0.051,31 0.067,32 2.538,33 2,35 0.137,37 4.112,38 5.889,39 7.625,40 8.592,41 9.342,42 10.251,43 11.051,44 2.7,45 11.93,46 12.755,47 9.595,48 5.733,49 4.704,50 7.433,51 3.733,52 2.341,53 0.59,54 0.03,55 0.649,56 6.632,57 0.329,58 79.618,59 4.942,60 3.45,61 3.48,62 3.101,63 13.767,64 13.767,65 13.767,66 13.767,67 13.767,68 12.408,69 14.178,70 10.309,71 10.309,72 10.309,73 10.309,74 10.309,75 8.247,76 10.895,77 3.74,78 47.333,79 2.5,80 2.081,81 1.5,82 1.066,83 1,84 1.21,85 1,86 -1,87 -1.366,88 -2.791,89 -0.979,90 12.5,91 24.352,92 0.254,93 1.634,94 4.36,95 7.486,96 3.091,97 3.091,98 21,99 3.332,100 7.724,101 10.403,102 57.444,104 88.239,105 27,106 -1,107 -2.791,108 1,109 13.046,110 1.465,111 3.919,112 4.674,113 2.727,114 2.715,115 3.866,116 3.761,117 141.367,118 6.419,119 6.252,120 5.205,121 8.554,122 4.427,123 0.564,124 5.62,125 5.603,126 5.54,127 3.595,128 2.951,129 3.42,130 2.985,131 2.095,132 1.782,133 1.805,134 4.733,135 3.367,136 3.434,137 3.434,138 3.401,139 3.434,140 6.116,141 6.899,142 7.706,143 8.499,144 9.308,145 10.108,146 10.917,147 7.465,148 4.099,149 4.423,150 25,151 22.236,152 5.252,153 5.905,154 3.874,155 6.725,156 8.294,157 5.416,158 9.504,159 5.243,160 9.918,161 9.535,162 7.104,163 8.705,164 6.865,165 10.871,166 12.22,167 8.619,168 10.45,169 11.283,170 2.095,171 12.329,172 13.224,173 14.237,174 15.169,175 5.788,176 6.389,177 4.699}
{0 CHEMBL1950174,1 0.599,2 0.662,3 4.839,4 4.834,5 4.983,6 5.262,7 5.571,8 0.562,9 -3.89,10 -3.85,11 -3.65,12 1,13 3,16 6,19 7,20 2,21 3,22 3.733,23 2.341,24 2.7,25 0.498,26 0.755,27 1.578,28 1.6,29 0.875,30 -0.049,31 0.041,32 2.664,33 2,35 0.137,37 4.112,38 5.889,39 7.625,40 8.592,41 9.342,42 10.251,43 11.051,44 2.7,45 11.93,46 12.755,47 9.595,48 5.733,49 4.704,50 7.433,51 3.733,52 2.341,53 0.63,54 0.035,55 0.519,56 6.632,57 0.329,58 82.436,59 4.926,60 3.462,61 3.495,62 3.101,63 13.767,64 13.767,65 13.767,66 13.767,67 13.767,68 12.408,69 14.205,70 10.309,71 10.309,72 10.309,73 10.309,74 10.309,75 8.247,76 10.952,77 3.74,78 46.75,79 2.5,80 2.081,81 1.5,82 1.063,83 1,84 1.21,85 1,86 -1,87 -1.366,88 -2.791,89 -0.976,90 12.25,91 23.733,92 0.239,93 1.634,94 4.36,95 7.486,96 3.091,97 3.091,98 21,99 3.332,100 7.732,101 10.488,102 56.083,104 86.239,105 27,106 -1,107 -2.791,108 1,109 13.046,110 1.465,111 3.918,112 4.567,113 2.731,114 2.715,115 3.692,116 3.761,117 141.367,118 6.438,119 6.252,120 5.205,121 8.554,122 4.594,123 0.564,124 5.59,125 5.585,126 5.527,127 3.595,128 2.922,129 3.42,130 2.971,131 2.095,132 1.725,133 1.805,134 4.746,135 3.367,136 3.434,137 3.434,138 3.401,139 3.434,140 6.116,141 6.899,142 7.706,143 8.499,144 9.308,145 10.108,146 10.917,147 7.465,148 4.099,149 4.423,150 25,151 22.258,152 5.252,153 5.905,154 3.865,155 6.725,156 8.294,157 5.416,158 9.504,159 5.231,160 9.918,161 9.535,162 7.104,163 8.705,164 6.852,165 10.871,166 12.22,167 8.607,168 10.438,169 11.269,170 2.095,171 12.316,172 13.211,173 14.224,174 15.156,175 5.788,176 6.389,177 4.678}
{0 CHEMBL1950176,1 0.832,2 0.662,3 4.839,4 4.834,5 4.983,6 5.262,7 5.571,8 0.484,9 -3.5,10 -3.48,11 -3.32,12 1,13 3,16 6,19 7,20 3,21 4,22 3.733,23 2.341,24 2.7,25 0.459,26 0.816,27 1.54,28 1.503,29 0.875,30 -0.029,31 0.083,32 2.27,33 2,35 0.137,37 4.112,38 5.889,39 7.625,40 8.592,41 9.342,42 10.251,43 11.051,44 2.7,45 11.93,46 12.755,47 9.595,48 5.733,49 4.708,50 7.433,51 3.733,52 2.341,53 0.584,54 0.03,55 0.856,56 6.632,57 0.329,58 79.855,59 4.96,60 3.476,61 3.521,62 3.101,63 13.767,64 13.767,65 13.767,66 13.767,67 13.767,68 12.408,69 14.041,70 10.309,71 10.309,72 10.309,73 10.309,74 10.309,75 8.247,76 10.618,77 3.74,78 47,79 2.5,80 2.085,81 1.5,82 1.073,83 1,84 1.21,85 1,86 -1,87 -1.366,88 -2.791,89 -1,90 12.25,91 24.567,92 0.26,93 1.634,94 4.36,95 7.486,96 3.091,97 3.091,98 21,99 3.332,100 7.745,101 10.569,102 55.333,104 88.239,105 27,106 -1,107 -2.791,108 1,109 13.046,110 1.465,111 3.937,112 4.566,113 2.735,114 2.715,115 3.773,116 3.761,117 146.357,118 6.7,119 6.495,120 5.463,121 8.554,122 4.26,123 0.564,124 5.618,125 5.64,126 5.562,127 3.595,128 2.767,129 3.42,130 3.077,131 2.095,132 2.054,133 1.805,134 4.754,135 3.367,136 3.434,137 3.434,138 3.401,139 3.434,140 6.116,141 6.899,142 7.706,143 8.499,144 9.308,145 10.108,146 10.917,147 7.465,148 4.099,149 4.423,150 25,151 22.27,152 5.252,153 5.905,154 3.922,155 6.725,156 8.294,157 5.416,158 9.504,159 5.325,160 9.918,161 9.535,162 7.104,163 8.705,164 6.972,165 10.871,166 12.22,167 8.744,168 10.587,169 11.437,170 2.095,171 12.475,172 13.381,173 14.39,174 15.328,175 5.788,176 6.389,177 4.481}
{0 CHEMBL1950177,1 0.863,2 0.702,3 4.891,4 4.96,5 5.123,6 5.33,7 5.669,8 0.61,9 -3.01,10 -3.01,11 -2.9,12 1,13 3,16 8,19 7,20 2,21 3,22 3.733,23 2.341,24 2.707,25 0.453,26 0.86,27 1.248,28 1.406,29 0.875,30 -0.047,31 0.063,32 1.779,33 2,35 0.142,37 4.112,38 5.889,39 7.625,40 8.592,41 9.342,42 10.251,43 11.051,44 2.707,45 11.93,46 12.755,47 11.315,48 5.733,49 4.707,50 7.433,51 3.733,52 2.341,53 0.576,54 0.027,55 0.825,56 6.65,57 0.323,58 81.277,59 5.024,60 3.482,61 3.535,62 3.145,63 14.637,64 14.637,65 14.637,66 14.637,67 14.637,68 13.331,69 15.09,70 10.736,71 10.736,72 10.736,73 10.736,74 10.736,75 8.67,76 11.237,77 3.786,78 50,79 2.5,80 2.089,81 1.5,82 1.077,83 1,84 1.216,85 1,86 -1,87 -1.298,88 -2,89 -0.966,90 13.25,91 26.033,92 0.251,93 1.647,94 4.426,95 7.615,96 3.135,97 3.135,98 22,99 3.367,100 8.097,101 10.813,102 58.833,104 94.107,105 28,106 -1,107 -2,108 1,109 13.563,110 1.465,111 3.926,112 4.655,113 2.735,114 2.715,115 3.881,116 3.807,117 151.174,118 6.771,119 6.594,120 5.531,121 8.723,122 4.571,123 0.556,124 5.653,125 5.68,126 5.63,127 3.595,128 2.882,129 3.477,130 3.117,131 2.178,132 2.035,133 1.805,134 4.78,135 3.434,136 3.497,137 3.555,138 3.466,139 3.555,140 6.163,141 6.952,142 7.76,143 8.558,144 9.369,145 10.173,146 10.985,147 7.597,148 4.147,149 4.476,150 27,151 22.313,152 5.293,153 5.953,154 3.932,155 6.77,156 8.343,157 5.46,158 9.572,159 5.32,160 9.971,161 9.56,162 7.154,163 8.73,164 6.956,165 10.898,166 12.25,167 8.719,168 10.556,169 11.399,170 2.178,171 12.438,172 13.34,173 14.349,174 15.285,175 5.788,176 6.431,177 4.367}
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