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{0 CHEMBL225984,1 0.316,2 68.854,3 0.585,4 0.933,5 1,6 2,7 3,8 1,9 3,10 2,11 0.222,12 3.558,13 3.247,14 2.245,15 2.718,16 5.914,17 1.028,18 1.034,19 0.027,20 -0.093,21 -0.084,22 -0.044,23 -0.127,24 -0.01,25 0.057,26 0.422,27 3.337,28 0.233,29 2.708,30 -4.169,31 0.953,32 2.245,33 22.873,34 5.914,35 25.113,36 11.898,37 2.718,38 14.277,39 29.687,40 31.983,41 16.454,42 16.162,43 16.538,44 0.49,45 0.102,46 170.778,47 1.03,48 6.448,49 353.805,50 319.63,51 376.48,52 286,53 -0.441,54 -0.97,55 -1.481,56 0.089,57 -1.481,58 -0.021,59 -0.525,60 0.395,61 0.352,62 5.847,63 -1.749,64 -1.584,65 -4.042,66 -1.488,67 1.062,68 1.085,69 0.86,70 0.876,71 1.221,72 1.269,73 1.186,74 0.02,75 -0.067,76 -4.042,77 5.388,78 0.828,79 167.406,80 4,81 2.415,82 34.248,83 -0.428,84 -0.75,85 -0.86,86 -0.98,87 0.984,88 1.166,89 -0.482,90 0.301,91 -0.081,92 -1,93 -1.355,94 -0.757,95 -2,96 -0.978,97 0.836,98 0.069,99 0.14,100 0.084,101 0.242,102 0.434,103 3.135,104 0.126,105 -1,106 -2,107 0.519,108 -0.148,109 -0.096,110 9.311,111 3.811,112 40.478,113 57.167,114 1.545,115 6.6,116 0.183,117 44.993,118 8.156,119 3.395,120 3.465,121 2.915,122 2.703,123 4.827,124 2.764,125 3.863,126 3.975,127 3.254,128 3.038,129 5.544,130 3.053,131 4.237,132 4.412,133 3.298,134 3.168,135 5.732,136 3.169,137 4.289,138 4.463,139 3.285,140 3.095,141 5.853,142 3.124,143 4.194,144 4.37,145 3.161,146 2.899,147 5.958,148 2.936,149 3.918,150 4.107,151 2.8,152 2.574,153 2.643,154 3.589,155 3.716,156 2.897,157 2.099,158 2.295,159 3.061,160 3.172,161 2.205,162 1.443,163 5.4,164 1.629,165 0.302,166 5.27,167 2.371,168 2.686,169 0.439,170 9.138,171 3.617,172 135.617,173 4.742,174 1.01,175 0.507,176 16.488,177 4.191,178 215.604,179 6.101,180 1.169,181 0.47,182 18.216,183 3.815,184 237.733,185 5.729,186 1.219,187 0.384,188 17.364,189 3.123,190 250.778,191 4.87,192 0.848,193 0.269,194 13.437,195 2.117,196 3.382,197 0.158,198 9.516,199 1.222,200 2.073,201 0.563,202 0.072,203 5.87,204 0.541,205 114.425,206 0.933,207 4.585}
{0 CHEMBL225985,1 0.293,2 61.564,3 0.515,4 0.901,11 0.385,12 3.535,13 3.194,14 2.197,15 2.697,16 5.904,17 1.131,18 1.046,19 -0.044,20 -0.241,21 -0.217,22 0.19,23 -0.233,24 0.246,25 0.028,26 -0.121,27 3.297,28 1.266,29 1.386,30 -3.033,31 0.914,32 2.197,33 22.868,34 5.904,35 25.109,36 11.85,37 2.697,38 14.253,39 29.683,40 31.979,41 16.437,42 16.134,43 16.534,44 0.5,45 0.123,46 128.567,47 1.157,48 6.446,49 286.07,50 255.988,51 300.08,52 230,56 0.509,58 -0.787,60 0.4,61 0.343,62 3.219,67 1.061,68 1.079,69 0.992,70 0.957,74 0.011,75 -0.12,77 5.154,78 0.169,79 30.517,80 1,81 2.698,82 33.767,83 -1.263,84 -0.1,85 -0.25,86 -0.43,87 1.066,88 1.371,89 -1.125,90 -0.739,91 -1.303,92 -1.77,93 -1.884,94 -1.584,95 -5.137,96 -1.758,97 0.67,98 0.075,99 0.154,100 0.096,101 0.099,102 -0.106,103 2.89,104 0.153,105 -1.77,106 -5.137,107 0.515,108 -0.191,109 -0.096,110 9.417,111 3.917,112 32.386,113 47,114 1.539,115 4.833,116 1.594,117 36.054,118 8.098,119 3.203,120 3.271,121 2.704,122 2.46,123 4.649,124 2.535,125 3.65,126 3.757,127 3.02,128 2.78,129 5.298,130 2.814,131 4.002,132 4.169,133 3.13,134 2.903,135 5.561,136 2.934,137 4.058,138 4.212,139 3.132,140 2.778,141 5.731,142 2.866,143 3.954,144 4.107,145 2.986,146 2.408,147 6.056,148 2.519,149 3.393,150 3.611,151 1.83,152 1.72,153 1.714,154 2.218,155 2.539,156 0.316,157 0.808,158 0.648,159 0.635,160 0.899,161 0.007,162 0.135,163 0.693,164 0.067,165 0.231,166 4.523,167 1.798,168 2.134,169 0.326,170 7.641,171 2.656,172 114.591,173 3.591,174 0.854,175 0.366,176 13.08,177 2.987,178 177.295,179 4.613,180 1.005,181 0.311,182 14.399,183 2.441,184 199.552,185 4.041,186 1.202,187 0.203,188 14.322,189 1.636,190 234.832,191 3.102,192 0.688,193 0.091,194 9.084,195 0.758,196 1.676,197 0.026,198 2.906,199 0.244,200 0.649,201 0.015,202 0.003,203 0.348,204 0.036,205 2.531,206 0.105,207 2.678}
{0 CHEMBL226414,1 0.239,2 49.555,3 0.423,4 0.81,11 0.727,12 3.523,13 3.17,14 2.17,15 2.686,16 5.712,17 0.865,18 1.021,19 0.13,20 -0.126,21 -0.128,22 0.229,23 -0.045,24 0.422,25 0.35,26 0.504,27 3.185,28 0.535,30 -2.843,31 0.826,32 2.17,33 22.339,34 5.712,35 24.501,36 11.68,37 2.686,38 14.069,39 28.97,40 31.223,41 16.223,42 15.898,43 15.987,44 0.496,45 0.111,46 36.667,47 0.868,48 6.35,49 245.92,50 221.912,51 260.42,52 198,56 1.107,60 0.48,61 0.351,62 0.693,67 1.319,68 1.026,75 -0.197,77 3.434,78 0.015,79 2.778,80 1,81 1.882,82 24.851,83 -0.493,84 -0.5,85 -0.63,86 -0.77,87 1.026,88 1.208,89 -0.731,97 0.281,98 0.063,99 0.11,100 0.07,101 0.21,102 0.562,103 2.303,104 0.104,107 0.531,108 -0.318,109 -0.303,110 9.5,111 4,112 25.609,113 40,114 1.547,115 4.2,116 0.243,117 29.525,118 8.229,119 3.001,120 3.066,121 2.519,122 2.272,123 4.476,124 2.347,125 3.426,126 3.535,127 2.868,128 2.56,129 5.158,130 2.61,131 3.751,132 3.888,133 2.951,134 2.634,135 5.476,136 2.697,137 3.814,138 3.97,139 2.711,140 2.382,141 5.597,142 2.472,143 3.405,144 3.604,145 2.243,146 1.763,147 5.49,148 1.817,149 2.256,150 2.54,151 0.39,152 0.821,153 0.708,154 0.635,155 0.899,156 0.007,157 0.135,158 0.067,165 0.188,166 3.528,167 1.461,168 1.699,169 0.258,170 6.01,171 2.099,172 96.334,173 2.83,174 0.689,175 0.275,176 9.654,177 2.211,178 142.223,179 3.324,180 0.912,181 0.203,182 11.964,183 1.578,184 174.888,185 2.693,186 0.727,187 0.099,188 8.994,189 0.842,190 144.889,191 1.802,192 0.19,193 0.027,194 3.001,195 0.24,196 0.596,197 0.003,198 0.361,199 0.037,200 0.109,207 2.244}
{0 CHEMBL226521,1 0.237,2 51.21,3 0.476,4 0.931,7 1,9 1,10 2,11 0.286,12 3.536,13 3.197,14 2.2,15 2.697,16 5.91,17 1.034,18 1.001,19 -0.052,20 -0.095,21 -0.084,22 0.068,23 -0.161,24 -0.072,25 -0.055,26 0.011,27 3.216,28 0.192,29 2.398,30 -2.876,31 0.941,32 2.2,33 22.871,34 5.91,35 25.112,36 11.857,37 2.697,38 14.256,39 29.686,40 31.982,41 16.441,42 16.146,43 16.537,44 0.5,45 0.105,46 134.221,47 1.043,48 6.447,49 294.07,50 264.311,51 311.6,52 238,53 -0.773,54 -1.425,55 -1.809,56 -0.062,57 -1.809,58 -0.415,59 -0.817,60 0.333,61 0.344,62 5.461,63 -1.942,64 -1.584,65 -5.197,66 -1.818,67 0.996,68 1.009,69 1.223,70 1.216,71 1.411,72 1.289,73 1.371,74 0.021,75 -0.042,76 -5.197,77 5.274,78 0.721,79 134.871,80 4,81 2.451,82 34.454,83 -0.35,84 -0.79,85 -0.9,86 -1.02,87 0.988,88 1.166,89 -0.439,90 -0.336,91 -0.634,92 -1.345,93 -1.414,94 -0.757,95 -2.794,96 -1.254,97 0.852,98 0.066,99 0.12,100 0.059,101 0.134,102 0.032,103 3.045,104 0.138,105 -1.345,106 -2.794,107 0.542,108 -0.079,109 -0.031,110 9.071,111 3.571,112 34.645,113 50,114 1.493,115 6.5,116 0.123,117 45.256,118 7.365,119 3.414,120 3.502,121 2.85,122 2.723,123 4.745,124 2.752,125 3.907,126 4.05,127 3.143,128 3.066,129 5.387,130 3.041,131 4.268,132 4.477,133 3.243,134 3.196,135 5.654,136 3.155,137 4.31,138 4.509,139 3.233,140 3.119,141 5.8,142 3.111,143 4.218,144 4.42,145 3.102,146 2.929,147 5.912,148 2.921,149 3.95,150 4.168,151 2.641,152 2.628,153 2.612,154 3.676,155 3.874,156 2.502,157 2.197,158 2.228,159 3.172,160 3.391,161 1.754,162 1.557,163 4.985,164 1.554,165 0.311,166 6.284,167 2.492,168 3.159,169 0.451,170 10.996,171 3.766,172 108.615,173 5.31,174 0.806,175 0.517,176 17.605,177 4.343,178 167.13,179 6.836,180 0.963,181 0.474,182 18.972,183 3.883,184 189.874,185 6.305,186 1.062,187 0.388,188 17.925,189 3.198,190 214.361,191 5.387,192 0.683,193 0.28,194 13.693,195 2.268,196 3.96,197 0.174,198 10.802,199 1.394,200 2.602,201 0.497,202 0.081,203 6.827,204 0.659,205 91.52,206 1.365,207 3.357}
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