"molecule_id","ATSC2e","ATSC3e","ATSC3s","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","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","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3i","ATSC3m","ATSC3p","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","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.004","C.005","C.006","C.008","C.016","C.024","C.025","C.026","C.027","C.028","C.039","C.040","C.041","CATS2D_01_AA","CATS2D_01_AN","CATS2D_01_DA","CATS2D_01_DN","CATS2D_01_LL","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AN","CATS2D_02_DA","CATS2D_02_DL","CATS2D_02_DN","CATS2D_02_LL","CATS2D_02_NL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AN","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_LL","CATS2D_03_NL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_DA","CATS2D_04_DL","CATS2D_04_DN","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_NN","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AN","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DN","CATS2D_05_LL","CATS2D_05_NL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_LL","CATS2D_06_NL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_AN","CATS2D_07_DA","CATS2D_07_DL","CATS2D_07_LL","CATS2D_07_NL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_DA","CATS2D_08_DL","CATS2D_08_LL","CATS2D_08_NL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AN","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DN","CATS2D_09_LL","CATS2D_09_NL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","CMC.50","CMC.80","CSI","DBI","D.Dtr05","D.Dtr06","D.Dtr10","DECC","DELS","Depressant.80","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_07","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","pXC50"
{1 0.34,2 0.6,3 110.11,4 1.714,5 5,6 -1.279,7 1.635,8 31.911,9 7.745,11 3.041,12 3.142,13 2.541,14 2.293,15 4.44,16 2.344,17 3.478,18 3.656,19 2.803,20 2.506,21 5.001,22 2.543,23 3.705,24 3.881,25 2.697,26 2.507,27 5.269,28 2.553,29 3.603,30 3.784,31 2.397,32 2.392,33 5.018,34 2.369,35 3.41,36 3.67,37 2.348,38 2.143,39 5.042,40 2.107,41 2.997,42 3.191,43 2.071,44 1.655,45 5.008,46 1.702,47 2.449,48 2.631,49 0.629,50 1.007,51 3.912,52 0.975,53 1.298,54 1.682,55 0.021,56 0.361,57 1.386,58 0.189,59 0.188,60 0.208,61 4.005,62 1.37,63 29.486,64 1.898,65 0.253,66 7.116,67 1.716,68 57.196,69 2.832,70 0.238,71 10.099,72 1.65,73 2.777,74 0.554,75 0.199,76 9.332,77 1.715,78 95.181,79 2.76,80 0.454,81 0.146,82 8.149,83 1.384,84 83.298,85 2.616,86 0.363,87 0.076,88 5.273,89 0.743,90 73.066,91 1.407,92 0.227,93 0.028,94 3.212,95 0.276,96 43.062,97 0.533,98 0.035,99 0.007,100 0.943,101 0.11,102 5.763,103 0.297,104 34,105 11,106 0.397,107 0.695,108 0.876,109 0.876,110 0.876,111 0.825,112 2.432,113 0.908,114 -0.9,115 -1.01,116 -1.11,118 26.3,119 1,120 1,123 1,132 2,135 1,136 1,137 1,139 1,140 1,141 4,143 1,144 1,150 1,151 1,153 2,156 1,157 1,159 1,161 1,162 1,167 1,168 1,169 1,173 1,174 1,175 1,176 1,178 1,203 72,204 5.897,205 5.897,206 5.897,207 5.897,208 5.897,209 5.508,210 6.484,211 3.592,212 5.964,213 4.391,214 4.391,215 4.391,216 4.391,217 4.391,218 3.778,219 4.665,220 1.692,221 4.462,222 2.534,223 1.245,224 0.461,225 0.461,226 0.461,227 0.684,228 2.961,231 85,232 3.317,236 0.8,237 21.615,239 0.83,240 0.83,241 1,242 1,243 1,244 1,245 0.95,246 24.5,247 50,248 3.842,249 4.227,250 5.74,251 3.631,252 2.655,253 3,254 2.341,255 7.432,256 2.579,257 3.523,258 3.592,259 4.644,260 3.178,261 2.17,262 2.686,263 2.271,264 5.111,265 2.16,266 2.507,267 3.133,268 3.572,269 2.232,270 1.211,271 1.414,272 1.203,273 2.674,274 1.221,275 1.485,276 1.342,277 2.414,278 1.324,279 0.311,280 0.335,282 0.639,283 0.311,284 0.493,285 0.614,286 1.671,287 0.099,288 -1,289 -1,290 -0.607,291 -2,292 -0.899,293 0.433,294 0.399,295 4.854}
{0 CHEMBL1215450,1 0.354,2 0.489,3 85.069,4 1.538,5 9.471,6 0.209,7 0.044,8 63.996,9 6.317,11 3.705,12 3.844,13 3.058,14 3.032,15 4.828,16 3.002,17 4.256,18 4.491,19 3.287,20 3.355,21 5.359,22 3.28,23 4.517,24 4.762,25 3.263,26 3.49,27 5.639,28 3.371,29 4.6,30 4.888,31 3.149,32 3.442,33 5.588,34 3.293,35 4.425,36 4.703,37 3.14,38 3.311,39 5.616,40 3.185,41 4.33,42 4.602,43 3.025,44 3.201,45 5.592,46 3.075,47 4.211,48 4.491,49 2.781,50 3.081,51 5.207,52 2.931,53 4.079,54 4.367,55 2.756,56 2.909,57 5.115,58 2.786,59 0.119,60 0.476,61 9.656,62 3.228,63 14.289,64 4.879,65 0.656,66 16.899,67 4.629,68 44.756,69 7.506,70 0.72,71 21.986,72 5.735,73 9.341,74 0.614,75 0.675,76 23.803,77 5.667,78 85.758,79 9.507,80 0.55,81 0.592,82 20.022,83 4.887,84 92.712,85 8.156,86 0.539,87 0.527,88 18.289,89 4.352,90 102.133,91 7.288,92 0.409,93 0.462,94 16.068,95 3.987,96 58.498,97 6.523,98 0.311,99 0.39,100 13.999,101 3.175,102 45.7,103 5.526,104 57,105 19,106 0.289,107 0.506,108 0.757,109 0.841,110 0.841,111 0.841,112 2.903,113 1.086,114 -2.11,115 -2.16,116 -2.14,118 28.2,120 5,122 2,123 2,132 2,135 1,136 1,137 1,138 3,139 1,140 1,141 5,143 1,144 1,146 2,149 3,150 1,151 1,153 2,154 1,156 1,157 4,159 1,160 1,161 1,162 1,166 3,167 1,168 1,169 1,170 1,172 1,173 1,174 1,175 1,176 1,178 2,179 1,180 1,181 2,182 1,185 1,186 1,187 1,189 1,190 1,191 1,193 1,195 2,199 1,203 378,204 10.588,205 10.588,206 10.588,207 10.588,208 10.588,209 10.25,210 12.632,211 6.687,212 10.777,213 7.867,214 7.867,215 7.867,216 7.867,217 7.867,218 7.267,219 10.908,220 3.209,221 8.108,222 3.748,223 2.595,224 1.257,225 0.808,226 0.808,227 0.808,228 3.501,230 1,231 294,232 4.359,236 1.675,237 26.499,239 1,240 0.83,241 1,242 1,243 1,244 1,245 0.98,246 39,247 161,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.664,260 3.198,261 2.235,262 2.693,263 2.271,264 5.189,265 2.179,266 3.234,267 3.186,268 4.657,269 3.152,270 2.185,271 2.234,272 1.203,273 5.162,274 2.059,275 2.709,276 2.576,277 4.033,278 2.657,279 1.674,280 1.701,281 0.8,282 3.694,283 1.638,284 2.452,285 1.679,286 3.508,287 2.278,288 1.275,289 1.391,291 2.809,292 1.268,293 1.775,294 1.342,295 4.77}
{0 CHEMBL1215451,1 0.34,2 0.473,3 83.42,4 1.51,5 10.278,6 0.666,7 0.443,8 68.597,9 6.2,11 3.774,12 3.915,13 3.112,14 3.113,15 4.869,16 3.075,17 4.333,18 4.57,19 3.336,20 3.444,21 5.402,22 3.357,23 4.604,24 4.857,25 3.314,26 3.58,27 5.682,28 3.448,29 4.68,30 4.973,31 3.206,32 3.536,33 5.633,34 3.376,35 4.52,36 4.803,37 3.197,38 3.418,39 5.66,40 3.277,41 4.434,42 4.713,43 3.089,44 3.32,45 5.636,46 3.177,47 4.328,48 4.617,49 2.849,50 3.204,51 5.257,52 3.048,53 4.206,54 4.491,55 2.774,56 3.08,57 5.173,58 2.925,59 0.108,60 0.516,61 10.465,62 3.571,63 13.349,64 5.366,65 0.721,66 18.222,67 5.18,68 43.955,69 8.311,70 0.796,71 23.762,72 6.41,73 10.359,74 0.593,75 0.752,76 25.403,77 6.347,78 82.541,79 10.503,80 0.539,81 0.668,82 21.713,83 5.563,84 91.481,85 9.16,86 0.531,87 0.602,88 19.991,89 5.028,90 101.492,91 8.295,92 0.351,93 0.536,94 17.734,95 4.42,96 57.036,97 7.38,98 0.368,99 0.468,100 15.771,101 4.012,102 50.888,103 6.531,104 60,105 20,106 0.278,107 0.484,108 0.733,109 0.829,110 0.847,111 0.847,112 2.955,113 1.11,114 -2.39,115 -2.42,116 -2.38,118 28.6,120 6,122 2,123 2,132 2,135 1,136 1,137 1,138 4,139 1,140 1,141 5,143 1,144 1,146 3,149 3,150 1,151 1,153 2,154 2,156 1,157 4,159 1,160 1,161 1,162 2,166 3,167 1,168 1,169 1,170 1,172 1,173 1,174 1,175 4,176 1,178 2,179 1,180 1,182 1,185 2,186 1,187 1,188 2,189 1,191 1,192 1,193 1,195 1,197 1,199 1,202 1,203 436,204 11.295,205 11.295,206 11.295,207 11.295,208 11.295,209 10.957,210 12.632,211 7.187,212 11.484,213 8.367,214 8.367,215 8.367,216 8.367,217 8.367,218 7.767,219 10.908,220 3.459,221 8.608,222 3.882,223 2.764,224 1.417,225 0.893,226 0.798,227 0.798,228 3.559,230 1,231 340,232 4.472,236 1.753,237 26.922,239 0.83,240 0.83,241 1,242 1,243 1,244 1,245 0.95,246 41,247 185,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.197,261 2.236,262 2.693,263 2.271,264 5.185,265 2.178,266 3.235,267 3.186,268 4.658,269 3.156,270 2.187,271 2.235,272 1.203,273 5.166,274 2.065,275 2.763,276 2.576,277 4.041,278 2.732,279 1.747,280 1.761,281 0.8,282 3.752,283 1.714,284 2.528,285 1.762,286 3.634,287 2.373,288 1.377,289 1.479,291 3.068,292 1.362,293 2.033,294 1.342,295 5.06}
{0 CHEMBL1215518,1 0.328,2 0.457,3 81.67,4 1.485,5 11.053,6 1.122,7 1.258,8 73.198,9 6.098,11 3.838,12 3.981,13 3.162,14 3.189,15 4.908,16 3.143,17 4.405,18 4.643,19 3.383,20 3.526,21 5.443,22 3.428,23 4.684,24 4.944,25 3.362,26 3.663,27 5.723,28 3.519,29 4.754,30 5.05,31 3.26,32 3.623,33 5.676,34 3.452,35 4.607,36 4.895,37 3.252,38 3.515,39 5.702,40 3.361,41 4.528,42 4.812,43 3.149,44 3.426,45 5.679,46 3.27,47 4.432,48 4.726,49 2.925,50 3.322,51 5.319,52 3.152,53 4.323,54 4.617,55 2.843,56 3.203,57 5.226,58 3.042,59 0.099,60 0.557,61 11.266,62 3.914,63 12.44,64 5.852,65 0.785,66 19.534,67 5.731,68 43.083,69 9.113,70 0.873,71 25.496,72 7.086,73 11.369,74 0.573,75 0.83,76 26.988,77 7.027,78 79.506,79 11.494,80 0.528,81 0.744,82 23.377,83 6.24,84 90.147,85 10.158,86 0.522,87 0.678,88 21.664,89 5.704,90 100.663,91 9.295,92 0.339,93 0.611,94 19.388,95 5.096,96 55.407,97 8.383,98 0.308,99 0.541,100 17.424,101 4.445,102 49.518,103 7.387,104 61,105 21,106 0.269,107 0.465,108 0.707,109 0.813,110 0.851,111 0.851,112 3.005,113 1.132,114 -2.66,115 -2.68,116 -2.61,118 28.9,120 7,122 2,123 2,132 2,135 1,136 1,137 1,138 5,139 1,140 1,141 5,143 1,144 1,146 4,149 3,150 1,151 1,153 2,154 3,156 1,157 4,159 1,160 1,161 1,162 3,166 3,167 1,168 1,169 1,170 1,172 2,173 1,174 1,175 4,176 1,178 2,179 1,180 1,182 4,185 2,186 1,187 1,189 1,191 2,192 1,193 1,194 2,195 1,199 1,201 1,202 1,203 512,204 12.002,205 12.002,206 12.002,207 12.002,208 12.002,209 11.665,210 12.632,211 7.687,212 12.192,213 8.867,214 8.867,215 8.867,216 8.867,217 8.867,218 8.267,219 10.908,220 3.709,221 9.108,222 4.007,223 2.926,224 1.589,225 1,226 0.789,227 0.789,228 3.615,230 1,231 388,232 4.583,236 1.85,237 27.292,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 43,247 210,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.197,261 2.236,262 2.693,263 2.271,264 5.184,265 2.178,266 3.236,267 3.186,268 4.659,269 3.158,270 2.188,271 2.236,272 1.203,273 5.167,274 2.068,275 2.811,276 2.576,277 4.046,278 2.789,279 1.801,280 1.81,281 0.8,282 3.795,283 1.774,284 2.575,285 1.818,286 3.72,287 2.45,288 1.459,289 1.539,291 3.248,292 1.438,293 2.218,294 1.383,295 5.222}
{0 CHEMBL1215519,1 0.316,2 0.443,3 79.893,4 1.462,5 11.85,6 1.578,7 2.49,8 77.799,9 6.009,11 3.898,12 4.042,13 3.211,14 3.259,15 4.946,16 3.207,17 4.471,18 4.71,19 3.427,20 3.602,21 5.482,22 3.495,23 4.758,24 5.023,25 3.408,26 3.74,27 5.762,28 3.586,29 4.824,30 5.122,31 3.311,32 3.702,33 5.717,34 3.524,35 4.687,36 4.978,37 3.303,38 3.603,39 5.742,40 3.439,41 4.614,42 4.903,43 3.206,44 3.522,45 5.72,46 3.355,47 4.526,48 4.824,49 2.996,50 3.429,51 5.377,52 3.247,53 4.428,54 4.726,55 2.919,56 3.321,57 5.289,58 3.147,59 0.09,60 0.597,61 12.062,62 4.257,63 11.575,64 6.338,65 0.849,66 20.836,67 6.283,68 42.182,69 9.913,70 0.949,71 27.196,72 7.763,73 12.374,74 0.556,75 0.907,76 28.56,77 7.707,78 76.662,79 12.482,80 0.517,81 0.82,82 25.019,83 6.918,84 88.777,85 11.152,86 0.514,87 0.753,88 23.314,89 6.381,90 99.719,91 10.292,92 0.327,93 0.686,94 21.021,95 5.772,96 53.734,97 9.381,98 0.298,99 0.616,100 19.073,101 5.12,102 48.287,103 8.387,104 64,105 22,106 0.26,107 0.447,108 0.681,109 0.789,110 0.841,111 0.856,112 3.053,113 1.151,114 -2.93,115 -2.93,116 -2.83,118 29.2,120 8,122 2,123 2,132 2,135 1,136 1,137 1,138 6,139 1,140 1,141 5,143 1,144 1,146 5,149 3,150 1,151 1,153 2,154 4,156 1,157 4,159 1,160 1,161 1,162 4,166 3,167 1,168 1,169 1,170 1,172 3,173 1,174 1,175 4,176 1,178 2,179 2,180 1,182 4,185 2,186 1,187 1,189 4,191 2,192 1,193 1,195 1,199 2,201 1,202 1,203 588,204 12.709,205 12.709,206 12.709,207 12.709,208 12.709,209 12.372,210 12.632,211 8.187,212 12.899,213 9.367,214 9.367,215 9.367,216 9.367,217 9.367,218 8.767,219 10.908,220 3.959,221 9.608,222 4.123,223 3.078,224 1.761,225 1.156,226 0.865,227 0.781,228 3.667,229 1,230 1,231 440,232 4.69,236 1.965,237 27.599,238 1,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 45,247 237,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.196,261 2.236,262 2.693,263 2.271,264 5.184,265 2.178,266 3.236,267 3.186,268 4.659,269 3.159,270 2.188,271 2.236,272 1.203,273 5.167,274 2.069,275 2.848,276 2.576,277 4.048,278 2.832,279 1.842,280 1.847,281 0.8,282 3.828,283 1.818,284 2.612,285 1.857,286 3.781,287 2.521,288 1.532,289 1.587,291 3.378,292 1.508,293 2.349,294 1.497,295 5.523}
{0 CHEMBL1215520,1 0.325,2 0.454,3 78.372,4 1.441,5 12.619,6 2.034,7 4.138,8 82.4,9 5.931,11 3.955,12 4.101,13 3.257,14 3.324,15 4.983,16 3.267,17 4.534,18 4.774,19 3.47,20 3.672,21 5.52,22 3.558,23 4.827,24 5.097,25 3.452,26 3.811,27 5.8,28 3.649,29 4.888,30 5.19,31 3.36,32 3.776,33 5.756,34 3.59,35 4.76,36 5.056,37 3.352,38 3.684,39 5.78,40 3.511,41 4.693,42 4.986,43 3.26,44 3.61,45 5.759,46 3.433,47 4.613,48 4.914,49 3.062,50 3.524,51 5.432,52 3.334,53 4.523,54 4.824,55 2.991,56 3.428,57 5.349,58 3.243,59 0.098,60 0.637,61 12.852,62 4.599,63 11.475,64 6.823,65 0.912,66 22.13,67 6.834,68 41.646,69 10.711,70 1.025,71 28.869,72 8.44,73 13.374,74 0.558,75 0.984,76 30.123,77 8.388,78 74.33,79 13.467,80 0.527,81 0.896,82 26.642,83 7.596,84 88.202,85 12.143,86 0.523,87 0.829,88 24.943,89 7.059,90 98.878,91 11.284,92 0.332,93 0.762,94 22.635,95 6.449,96 52.197,97 10.374,98 0.304,99 0.691,100 20.702,101 5.796,102 47.114,103 9.383,104 65,105 23,106 0.253,107 0.43,108 0.657,109 0.763,110 0.826,111 0.859,112 3.099,113 1.168,114 -3.18,115 -3.17,116 -3.05,118 29.4,120 9,122 2,123 2,132 2,135 1,136 1,137 1,138 7,139 1,140 1,141 5,143 1,144 1,146 6,149 3,150 1,151 1,153 2,154 5,156 1,157 4,159 1,160 1,161 1,162 5,166 3,167 1,168 1,169 1,170 1,172 4,173 1,174 1,175 4,176 1,178 2,179 3,180 1,182 4,185 2,186 2,187 1,189 4,191 2,192 1,193 1,195 4,199 2,201 1,202 1,203 684,204 13.416,205 13.416,206 13.416,207 13.416,208 13.416,209 13.079,210 12.632,211 8.687,212 13.606,213 9.867,214 9.867,215 9.867,216 9.867,217 9.867,218 9.267,219 10.908,220 4.209,221 10.108,222 4.232,223 3.221,224 1.93,225 1.323,226 0.961,227 0.775,228 3.717,229 1,230 1,231 494,232 4.796,236 2.113,237 27.859,238 1,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 47,247 265,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.196,261 2.236,262 2.693,263 2.271,264 5.184,265 2.178,266 3.236,267 3.186,268 4.659,269 3.159,270 2.188,271 2.236,272 1.203,273 5.167,274 2.07,275 2.876,276 2.576,277 4.05,278 2.865,279 1.872,280 1.876,281 0.8,282 3.854,283 1.852,284 2.647,285 1.885,286 3.825,287 2.585,288 1.597,289 1.632,291 3.475,292 1.573,293 2.441,294 1.584,295 5.26}
{0 CHEMBL1215521,1 0.334,2 0.464,3 76.913,4 1.422,5 13.409,6 2.49,7 6.202,8 87.001,9 5.861,11 4.009,12 4.156,13 3.301,14 3.386,15 5.018,16 3.323,17 4.593,18 4.834,19 3.511,20 3.738,21 5.556,22 3.616,23 4.892,24 5.166,25 3.495,26 3.877,27 5.836,28 3.708,29 4.949,30 5.253,31 3.406,32 3.845,33 5.794,34 3.652,35 4.829,36 5.127,37 3.399,38 3.759,39 5.817,40 3.579,41 4.767,42 5.063,43 3.311,44 3.69,45 5.797,46 3.505,47 4.692,48 4.996,49 3.124,50 3.612,51 5.484,52 3.414,53 4.609,54 4.914,55 3.057,56 3.524,57 5.406,58 3.33,59 0.105,60 0.677,61 13.638,62 4.942,63 11.542,64 7.309,65 0.976,66 23.416,67 7.387,68 41.162,69 11.508,70 1.101,71 30.52,72 9.117,73 14.369,74 0.561,75 1.061,76 31.676,77 9.068,78 72.219,79 14.45,80 0.536,81 0.972,82 28.251,83 8.275,84 87.775,85 13.131,86 0.532,87 0.905,88 26.557,89 7.737,90 98.023,91 12.273,92 0.338,93 0.838,94 24.235,95 7.126,96 50.699,97 11.365,98 0.31,99 0.767,100 22.315,101 6.473,102 45.93,103 10.376,104 68,105 24,106 0.246,107 0.415,108 0.633,109 0.737,110 0.805,111 0.85,112 3.142,113 1.184,114 -3.43,115 -3.41,116 -3.26,118 29.6,120 10,122 2,123 2,132 2,135 1,136 1,137 1,138 8,139 1,140 1,141 5,143 1,144 1,146 7,149 3,150 1,151 1,153 2,154 6,156 1,157 4,159 1,160 1,161 1,162 6,166 3,167 1,168 1,169 1,170 1,172 5,173 1,174 1,175 4,176 1,178 2,179 4,180 1,182 4,185 2,186 3,187 1,189 4,191 2,192 2,193 1,195 4,199 2,201 1,202 1,203 780,204 14.123,205 14.123,206 14.123,207 14.123,208 14.123,209 13.786,210 12.632,211 9.187,212 14.313,213 10.367,214 10.367,215 10.367,216 10.367,217 10.367,218 9.767,219 10.908,220 4.459,221 10.608,222 4.333,223 3.356,224 2.093,225 1.491,226 1.102,227 0.843,228 3.764,229 1,230 1,231 552,232 4.899,236 2.227,237 28.082,238 1,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 49,247 295,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.196,261 2.236,262 2.693,263 2.271,264 5.184,265 2.178,266 3.236,267 3.186,268 4.659,269 3.16,270 2.188,271 2.236,272 1.203,273 5.167,274 2.071,275 2.898,276 2.576,277 4.051,278 2.889,279 1.895,280 1.898,281 0.8,282 3.875,283 1.878,284 2.682,285 1.906,286 3.858,287 2.642,288 1.653,289 1.674,291 3.549,292 1.63,293 2.505,294 1.652,295 4.959}
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