"molecule_id","GATS4p","GATS5i","SpMAD_EA.ri.","SpMAD_AEA.dm.","AMW","BIC1","CIC1","Eta_epsi_A","GATS1m","Me","SIC0","SIC1","MATS5s","ATSC1s","PHI","S2K","Eta_FL","GATS1p","AAC","AECC","ALOGP","ALOGP2","AMR","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","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","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","B.112","BAC","BBI","BIC0","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","C.","C.001","C.002","C.003","C.005","C.006","C.007","C.008","C.024","C.025","C.026","C.031","C.040","C.041","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_AN","CATS2D_01_DA","CATS2D_01_DD","CATS2D_01_DN","CATS2D_01_LL","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_DN","CATS2D_02_DP","CATS2D_02_LL","CATS2D_02_NL","CATS2D_02_PL","CATS2D_02_PN","CATS2D_02_PP","CATS2D_03_AL","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_DN","CATS2D_03_DP","CATS2D_03_LL","CATS2D_03_NL","CATS2D_03_PL","CATS2D_03_PN","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DN","CATS2D_04_DP","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_PL","CATS2D_04_PN","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AN","CATS2D_05_AP","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DN","CATS2D_05_DP","CATS2D_05_LL","CATS2D_05_NL","CATS2D_05_PL","CATS2D_05_PN","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DN","CATS2D_06_DP","CATS2D_06_LL","CATS2D_06_NL","CATS2D_06_PL","CATS2D_06_PN","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_AN","CATS2D_07_AP","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_DN","CATS2D_07_DP","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_PL","CATS2D_07_PN","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DN","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_NL","CATS2D_08_PL","CATS2D_08_PN","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_NL","CATS2D_09_PL","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","CIC2","CIC3","CIC4","CIC5","CID","CMC.80","cRo5","CSI","DBI","D.Dtr05","D.Dtr06","DECC","DELS","DLS_01","DLS_02","DLS_03","DLS_04","DLS_06","pXC50"
{1 0.954,2 1.031,3 1.363,4 1.493,5 6.977,6 0.56,7 2.591,8 0.598,9 0.964,10 1.016,11 0.288,12 0.566,13 0.173,14 45.933,15 15.173,16 15.744,17 4.683,18 1.66,19 1.72,20 15.966,21 -3.303,22 10.911,23 105.643,25 4.192,26 4.34,27 3.782,28 3.574,29 5.295,30 3.518,31 4.761,32 4.961,33 3.985,34 3.907,35 6.054,36 3.812,37 5.078,38 5.334,39 3.985,40 4.031,41 6.251,42 3.903,43 5.078,44 5.33,45 3.941,46 4.006,47 6.21,48 3.883,49 5.022,50 5.276,51 4.012,52 3.968,53 6.369,54 3.835,55 4.991,56 5.25,57 3.927,58 3.924,59 6.281,60 3.778,61 4.927,62 5.174,63 3.815,64 3.863,65 6.035,66 3.737,67 4.874,68 5.119,69 3.862,70 3.833,71 6.223,72 3.704,73 0.294,74 0.802,75 18.799,76 5.687,77 7.601,78 0.872,79 1.101,80 31.542,81 8.665,82 125.672,83 12.425,84 1.229,85 1.2,86 43.808,87 10.619,88 173.386,89 15.33,90 1.216,91 1.154,92 44.55,93 10.135,94 187.91,95 14.726,96 1.33,97 1.107,98 42.974,99 9.979,100 227.094,101 14.645,102 1.343,103 1.04,104 42.584,105 10.153,106 191.546,107 13.95,108 1.069,109 0.986,110 38.953,111 8.991,112 163.94,113 12.609,114 1.063,115 0.946,116 37.153,117 9.14,118 179.504,119 12.494,121 121,122 35,123 0.284,124 0.81,125 0.892,126 0.913,127 0.913,128 3.406,129 1.208,130 2.58,131 2.3,132 1.85,133 25.4,134 1,135 5,138 4,139 1,140 2,145 3,147 2,148 2,149 2,151 3,154 2,155 2,157 1,158 2,160 5,162 6,163 2,166 1,167 2,168 1,170 3,171 4,172 3,173 6,175 1,177 2,178 2,181 3,182 1,184 1,186 2,189 2,193 3,194 1,195 1,196 1,197 3,198 2,199 2,200 3,201 2,202 2,203 1,206 1,207 4,209 5,210 3,211 2,219 2,220 1,223 1,224 2,228 3,229 2,231 2,232 4,233 1,234 2,235 1,236 4,237 1,238 1,239 1,240 2,243 1,244 3,245 1,246 4,247 1,248 3,253 1728,254 18.355,255 18.355,256 18.355,257 18.355,258 18.355,259 17.705,260 24.588,261 11.439,262 18.581,263 13.719,264 13.719,265 13.719,266 13.719,267 13.719,268 12.494,269 24.913,270 5.415,271 14.041,272 4.258,273 1.084,274 0.583,275 0.456,276 0.456,277 4.035,280 877,281 5.916,284 2.794,285 58.534,286 0.5,287 0.33,288 0.5,289 0.7,290 0.33,291 4.854}
{0 CHEMBL1161011,1 0.956,2 0.997,3 1.349,4 1.475,5 6.755,6 0.533,7 2.796,8 0.581,9 0.994,10 1.01,11 0.278,12 0.539,13 0.16,14 33.349,15 16.035,16 16.617,17 4.903,18 1.651,19 1.689,20 15.867,21 -3.161,22 9.992,23 112.075,25 4.246,26 4.404,27 3.804,28 3.634,29 5.32,30 3.565,31 4.82,32 5.038,33 4.025,34 3.985,35 5.983,36 3.863,37 5.126,38 5.388,39 4.054,40 4.127,41 6.261,42 3.979,43 5.172,44 5.431,45 3.996,46 4.109,47 6.261,48 3.976,49 5.136,50 5.409,51 4.053,52 4.086,53 6.359,54 3.935,55 5.1,56 5.374,57 3.994,58 4.058,59 6.294,60 3.897,61 5.058,62 5.321,63 3.9,64 4.017,65 6.093,66 3.873,67 5.043,68 5.314,69 3.918,70 4.001,71 6.234,72 3.845,73 0.229,74 0.867,75 19.914,76 5.789,77 8.227,78 0.769,79 1.193,80 34.292,81 9.411,82 97.147,83 13.351,84 1.091,85 1.326,86 47.49,87 11.81,88 150.818,89 16.587,90 1.137,91 1.301,92 48.081,93 10.899,94 170.857,95 16.335,96 1.263,97 1.264,98 47.102,99 11.03,100 195.962,101 16.67,102 1.246,103 1.215,104 46.014,105 11.413,106 173.348,107 16.139,108 0.976,109 1.185,110 43.153,111 10.159,112 145.877,113 14.966,114 1.012,115 1.147,116 42.681,117 10.487,118 151.709,119 15.14,121 126,122 36,123 0.276,124 0.796,125 0.889,126 0.908,127 0.908,128 3.439,129 1.223,130 2.74,131 2.45,132 1.98,133 25.4,134 1,135 5,137 1,138 4,139 1,140 2,145 3,147 2,148 2,149 2,151 1,154 1,155 2,157 1,158 1,160 5,162 7,163 1,166 1,167 2,168 1,170 3,171 4,172 3,173 6,175 1,177 1,178 2,181 4,185 1,186 1,189 2,193 3,194 1,195 1,196 1,197 3,198 2,199 2,200 1,201 2,202 2,206 1,207 3,209 6,210 2,211 3,219 1,223 1,224 3,228 1,229 2,231 2,232 5,233 1,234 2,235 1,236 3,237 1,238 1,239 1,243 1,244 4,246 3,247 2,248 2,249 1,253 1884,254 19.278,255 19.278,256 19.278,257 19.278,258 19.278,259 18.652,260 26.672,261 11.891,262 19.491,263 14.097,264 14.097,265 14.097,266 14.097,267 14.097,268 12.864,269 29.913,270 5.509,271 14.407,272 4.377,273 1.187,274 0.62,275 0.5,276 0.5,277 4.07,280 902,281 6,284 2.8,285 54.451,286 0.5,287 0.17,288 0.5,289 0.7,290 0.33,291 4.62}
{0 CHEMBL313808,1 0.644,2 1.076,3 1.45,4 1.603,5 7.518,6 0.611,7 2.106,8 0.631,9 0.927,10 1.027,11 0.32,12 0.621,13 0.201,14 57.008,15 9.585,16 10.009,17 3.717,18 1.637,19 1.779,20 9.609,21 -1.959,22 3.836,23 79.517,25 3.908,26 4.039,27 3.589,28 3.324,29 5.092,30 3.267,31 4.456,32 4.633,33 3.797,34 3.65,35 5.973,36 3.579,37 4.807,38 5.029,39 3.748,40 3.775,41 6.116,42 3.681,43 4.856,44 5.117,45 3.744,46 3.752,47 5.999,48 3.664,49 4.74,50 4.961,51 3.892,52 3.721,53 6.293,54 3.657,55 4.765,56 4.984,57 3.792,58 3.75,59 6.213,60 3.641,61 4.743,62 4.967,63 3.694,64 3.767,65 5.914,66 3.61,67 4.764,68 5.024,69 3.742,70 3.711,71 6.2,72 3.554,73 0.323,74 0.602,75 13.958,76 4.552,77 5.457,78 0.78,79 0.853,80 23.394,81 6.843,82 147.597,83 9.265,84 1.132,85 0.96,86 31.438,87 7.992,88 190.099,89 11.597,90 1.122,91 0.937,92 34.792,93 7.581,94 207.557,95 11.651,96 1.17,97 0.907,98 30.371,99 7.23,100 221.905,101 10.632,102 1.276,103 0.895,104 33.119,105 8.28,106 216.113,107 10.818,108 1.016,109 0.882,110 32.293,111 8.812,112 200.186,113 11.162,114 1.101,115 0.813,116 37.504,117 9.466,118 210.854,119 11.849,121 131,122 30,123 0.315,124 0.828,125 0.865,126 0.865,127 0.865,128 3.187,129 1.202,130 2.18,131 1.92,132 1.51,133 25.5,134 2,135 3,136 1,139 1,140 2,145 3,147 1,148 1,149 1,151 2,154 3,155 4,158 1,160 5,161 1,162 3,163 2,165 3,166 1,167 1,168 1,170 3,171 3,172 4,173 5,175 1,177 1,178 1,181 3,182 1,186 4,189 1,193 2,194 4,195 1,196 1,197 4,198 1,199 3,200 2,201 1,202 2,203 1,206 1,207 4,209 3,210 3,211 3,214 3,215 1,219 1,220 1,224 3,227 2,228 4,229 1,231 1,232 4,233 1,234 3,235 1,236 8,237 1,238 1,240 2,241 1,243 1,244 2,246 2,247 1,248 5,251 2,252 2,253 888,254 13.637,255 13.637,256 13.637,257 13.637,258 13.637,259 12.963,260 14.526,261 7.995,262 13.712,263 10.796,264 10.796,265 10.796,266 10.796,267 10.796,268 9.568,269 14.003,270 3.795,271 10.892,272 3.776,273 0.883,274 0.67,275 0.67,276 0.67,277 3.794,279 1,280 408,281 5.477,284 1.539,285 52.905,286 0.75,287 0.33,288 0.67,289 0.8,290 0.67,291 4.222}
{0 CHEMBL314542,1 0.839,2 1.069,3 1.415,4 1.562,5 7.09,6 0.582,7 2.297,8 0.63,9 0.932,10 1.027,11 0.296,12 0.591,13 0.142,14 46.047,15 10.389,16 11.097,17 4.207,18 1.39,19 1.659,20 9.667,21 -1.279,22 1.636,23 81.324,25 3.954,26 4.082,27 3.381,28 3.282,29 5.204,30 3.292,31 4.483,32 4.667,33 3.716,34 3.645,35 5.814,36 3.609,37 4.842,38 5.067,39 3.816,40 3.81,41 6.129,42 3.752,43 4.943,44 5.186,45 3.808,46 3.794,47 6.26,48 3.755,49 4.826,50 5.043,51 3.877,52 3.745,53 6.37,54 3.725,55 4.826,56 5.045,57 3.767,58 3.757,59 6.246,60 3.708,61 4.825,62 5.053,63 3.628,64 3.783,65 5.989,66 3.704,67 4.855,68 5.098,69 3.733,70 3.738,71 6.276,72 3.657,73 0.245,74 0.613,75 11.18,76 4.005,77 5.632,78 0.605,79 0.885,80 20.143,81 6.205,82 120.117,83 9.531,84 1.035,85 1.023,86 30.829,87 7.583,88 171.412,89 12.228,90 1.349,91 0.999,92 35.593,93 7.216,94 249.648,95 12.266,96 1.275,97 0.961,98 31,99 6.848,100 245.531,101 11.251,102 1.274,103 0.955,104 31.092,105 7.137,106 213.614,107 11.373,108 0.992,109 0.956,110 30.66,111 7.766,112 197.308,113 12.144,114 1.071,115 0.9,116 31.668,117 7.77,118 209.124,119 12.719,121 138,122 30,123 0.291,124 0.805,125 0.858,126 0.879,127 0.886,128 3.227,129 0.978,130 2.05,131 1.79,132 1.4,133 28.6,134 2,135 3,136 1,138 1,140 3,145 4,147 1,148 1,149 1,151 2,154 2,155 4,158 1,160 4,162 3,163 2,165 3,166 1,167 1,168 1,170 3,171 3,172 4,173 5,174 1,175 1,177 1,178 1,181 3,182 1,184 1,185 1,186 4,189 1,193 2,194 4,195 1,196 1,197 4,198 1,199 3,200 2,201 1,202 2,203 1,206 1,207 4,209 3,210 3,211 3,214 3,215 1,219 1,220 1,224 3,227 2,228 4,229 1,231 1,232 4,233 1,234 3,235 1,236 8,237 1,238 1,240 2,241 1,243 1,244 2,246 2,247 1,248 5,251 2,252 2,253 988,254 14.767,255 14.767,256 14.767,257 14.767,258 14.767,259 14.117,260 14.942,261 8.727,262 14.87,263 11.197,264 11.197,265 11.197,266 11.197,267 11.197,268 10.064,269 13.919,270 4.006,271 11.362,272 3.955,273 1.026,274 0.725,275 0.602,276 0.561,277 3.839,279 1,280 429,281 5.477,284 1.528,285 54.294,286 0.75,287 0.33,288 0.67,289 0.8,290 0.5,291 4.854}
{0 CHEMBL315249,1 0.824,2 1.067,3 1.427,4 1.576,5 6.878,6 0.574,7 2.299,8 0.609,9 0.95,10 1.019,11 0.3,12 0.584,13 0.162,14 31.586,15 9.572,16 10.269,17 3.906,18 1.383,19 1.659,20 9.5,21 -1.371,22 1.878,23 77.184,25 3.88,26 4.028,27 3.288,28 3.223,29 5.094,30 3.218,31 4.409,32 4.612,33 3.609,34 3.576,35 5.688,36 3.523,37 4.749,38 4.983,39 3.651,40 3.723,41 6.01,42 3.643,43 4.827,44 5.094,45 3.61,46 3.702,47 5.961,48 3.632,49 4.711,50 4.945,51 3.737,52 3.657,53 6.171,54 3.617,55 4.728,56 4.96,57 3.623,58 3.654,59 6.141,60 3.59,61 4.682,62 4.924,63 3.396,64 3.645,65 5.811,66 3.537,67 4.701,68 4.988,69 3.494,70 3.57,71 5.973,72 3.456,73 0.164,74 0.592,75 10.631,76 3.61,77 5.365,78 0.448,79 0.826,80 18.949,81 5.744,82 87.438,83 9.055,84 0.835,85 0.929,86 28.143,87 6.968,88 147.454,89 11.298,90 0.89,91 0.907,92 31.175,93 6.52,94 167.029,95 11.348,96 0.909,97 0.873,98 27.379,99 6.227,100 172.559,101 10.405,102 1.049,103 0.856,104 28.232,105 6.396,106 183.763,107 10.407,108 0.713,109 0.84,110 26.355,111 6.556,112 145.845,113 10.656,114 0.713,115 0.769,116 27.036,117 6.392,118 143.074,119 11.031,121 112,122 27,123 0.296,124 0.82,125 0.87,126 0.87,127 0.87,128 3.145,129 0.995,130 1.99,131 1.74,132 1.34,133 28.3,134 2,135 3,136 1,138 1,140 2,145 4,147 2,148 2,149 2,151 1,154 1,155 4,158 1,159 1,160 4,162 3,163 1,165 3,166 1,167 1,168 1,170 3,171 3,172 3,173 5,175 2,177 1,178 1,181 3,186 4,189 1,193 2,194 4,195 1,196 2,197 3,198 1,199 3,200 1,201 1,202 2,206 1,207 4,209 3,210 2,211 2,213 1,214 3,216 1,219 1,224 2,227 2,228 1,229 2,231 1,232 4,233 2,234 2,235 1,236 5,237 1,238 1,240 1,241 4,243 1,244 2,246 2,247 1,248 4,251 2,252 3,253 784,254 13.397,255 13.397,256 13.397,257 13.397,258 13.397,259 12.722,260 14.417,261 8.078,262 13.451,263 10.301,264 10.301,265 10.301,266 10.301,267 10.301,268 9.123,269 13.114,270 3.838,271 10.363,272 3.864,273 0.919,274 0.642,275 0.642,276 0.642,277 3.753,279 1,280 385,281 5.196,284 1.5,285 43.652,286 0.75,287 0.33,288 0.67,289 0.8,290 0.67,291 3.611}
{0 CHEMBL316406,1 0.873,2 1.026,3 1.415,4 1.519,5 7.264,6 0.615,7 2.039,8 0.629,9 0.867,10 1.023,11 0.311,12 0.633,13 0.108,14 26.546,15 8.468,16 10.08,17 4.676,18 1.345,19 1.729,20 10.208,21 -0.903,22 0.816,23 84.357,24 0.208,25 3.936,26 4.089,27 3.421,28 3.266,29 5.155,30 3.279,31 4.458,32 4.664,33 3.729,34 3.627,35 5.691,36 3.595,37 4.744,38 4.985,39 3.699,40 3.747,41 5.942,42 3.672,43 4.843,44 5.107,45 3.683,46 3.733,47 5.971,48 3.673,49 4.741,50 4.98,51 3.785,52 3.694,53 6.111,54 3.661,55 4.749,56 4.983,57 3.743,58 3.694,59 6.155,60 3.647,61 4.707,62 4.951,63 3.542,64 3.697,65 5.798,66 3.609,67 4.738,68 5.025,69 3.617,70 3.65,71 5.861,72 3.56,73 0.225,74 0.645,75 10.55,76 3.496,77 5.205,78 0.504,79 0.892,80 19.179,81 5.528,82 74.7,83 8.943,84 0.796,85 0.93,86 27.461,87 6.908,88 119.916,89 11.296,90 0.978,91 0.91,92 31.849,93 6.528,94 149.034,95 11.359,96 0.932,97 0.884,98 27.949,99 6.141,100 141.073,101 10.474,102 1.095,103 0.88,104 28.485,105 6.352,106 167.624,107 10.486,108 0.775,109 0.896,110 26.762,111 6.395,112 122.728,113 10.652,114 0.742,115 0.847,116 28.164,117 6.036,118 104.159,119 11.16,121 66,122 31,123 0.303,124 0.832,125 0.87,126 0.87,127 0.87,128 3.227,129 0.946,130 1.08,131 0.87,132 0.57,133 27.7,134 2,135 3,136 1,138 1,140 2,144 1,145 3,147 1,148 1,149 1,150 1,151 1,152 2,154 1,155 4,157 2,158 1,160 4,162 3,163 1,165 3,166 1,167 1,168 1,170 3,171 4,172 2,173 5,175 1,177 1,178 1,181 3,184 1,185 1,186 4,189 1,193 3,194 4,195 1,196 1,197 2,198 1,199 3,200 1,201 1,202 2,206 2,207 5,209 5,210 1,211 1,214 3,219 3,222 1,223 1,224 2,227 2,228 1,229 1,231 2,232 8,233 1,234 1,235 1,236 3,237 1,238 1,240 1,241 1,243 2,244 6,246 3,247 1,248 6,251 2,252 2,253 1012,254 15.259,255 15.259,256 15.259,257 15.259,258 15.259,259 14.17,260 16.332,261 9.231,262 15.415,263 11.801,264 11.801,265 11.801,266 11.801,267 11.801,268 10.067,269 17.998,270 4.389,271 12.026,272 3.826,273 0.798,274 0.585,275 0.585,276 0.585,277 3.862,280 480,281 4.95,282 87.785,284 1.66,285 39.747,286 0.5,287 0.33,288 0.5,289 0.7,290 0.5,291 4.469}
{0 CHEMBL328493,1 0.871,2 1.055,3 1.409,4 1.53,5 6.687,6 0.537,7 2.65,8 0.596,9 0.985,10 1.015,11 0.278,12 0.544,13 0.099,14 36.482,15 12.009,16 12.762,17 4.18,18 1.389,19 1.616,20 10.731,21 -0.926,22 0.858,23 92.491,25 4.072,26 4.217,27 3.455,28 3.422,29 5.255,30 3.408,31 4.617,32 4.819,33 3.777,34 3.794,35 5.857,36 3.727,37 4.98,38 5.228,39 3.865,40 3.96,41 6.157,42 3.869,43 5.068,44 5.33,45 3.871,46 3.956,47 6.199,48 3.888,49 4.994,50 5.224,51 4.003,52 3.924,53 6.428,54 3.889,55 5.01,56 5.234,57 3.922,58 3.935,59 6.432,60 3.879,61 4.995,62 5.23,63 3.766,64 3.965,65 6.157,66 3.87,67 5.021,68 5.279,69 3.833,70 3.963,71 6.282,72 3.851,73 0.179,74 0.717,75 13.307,76 4.646,77 6.804,78 0.518,79 1.033,80 23.611,81 7.364,82 107.074,83 11.496,84 0.913,85 1.195,86 35.353,87 8.981,88 157.579,89 14.698,90 1.021,91 1.185,92 39.321,93 8.575,94 191.545,95 14.66,96 1.179,97 1.157,98 36.642,99 8.232,100 226.42,101 13.655,102 1.356,103 1.151,104 37.612,105 8.449,106 237.604,107 13.734,108 0.961,109 1.165,110 36.158,111 9.278,112 195.772,113 14.679,114 0.923,115 1.157,116 36.734,117 9.713,118 184.086,119 15.671,121 142,122 32,123 0.275,124 0.768,125 0.861,126 0.879,127 0.885,128 3.303,129 1.031,130 1.54,131 1.31,132 0.97,133 28.6,134 2,135 5,136 1,138 1,140 3,145 4,147 2,148 2,149 2,151 2,154 2,155 5,158 1,160 4,162 5,163 2,165 3,166 2,167 2,168 1,170 4,171 3,172 3,173 8,175 1,177 2,178 2,181 5,182 1,186 5,189 1,193 2,194 5,195 1,196 1,197 3,198 2,199 4,200 3,201 2,202 3,203 1,205 1,206 1,207 4,208 1,209 4,210 3,211 3,213 1,214 5,215 1,219 2,220 1,221 1,222 1,224 2,227 6,228 4,229 1,231 1,232 5,233 1,234 2,235 2,236 6,237 1,238 2,239 4,240 2,241 2,243 1,244 2,246 2,247 1,248 5,250 1,251 2,252 3,253 1244,254 16.181,255 16.181,256 16.181,257 16.181,258 16.181,259 15.532,260 16.768,261 9.861,262 16.281,263 12.235,264 12.235,265 12.235,266 12.235,267 12.235,268 11.102,269 14.282,270 4.604,271 12.383,272 4.191,273 1.29,274 0.741,275 0.634,276 0.598,277 3.922,279 1,280 519,281 5.657,284 1.731,285 53.865,286 0.75,287 0.33,288 0.67,289 0.8,290 0.5,291 4.698}
{0 CHEMBL419871,1 0.827,2 1.072,3 1.441,4 1.586,5 6.905,6 0.55,7 2.463,8 0.613,9 0.941,10 1.021,11 0.293,12 0.559,13 0.137,14 33.14,15 9.643,16 10.313,17 3.894,18 1.407,19 1.634,20 9.565,21 -0.391,22 0.153,23 79.78,25 3.923,26 4.057,27 3.334,28 3.273,29 5.14,30 3.268,31 4.459,32 4.655,33 3.678,34 3.632,35 5.766,36 3.583,37 4.811,38 5.041,39 3.75,40 3.791,41 6.081,42 3.721,43 4.909,44 5.162,45 3.693,46 3.773,47 6.096,48 3.713,49 4.781,50 5.006,51 3.805,52 3.721,53 6.262,54 3.686,55 4.792,56 5.018,57 3.695,58 3.737,59 6.184,60 3.673,61 4.786,62 5.025,63 3.545,64 3.76,65 5.915,66 3.659,67 4.802,68 5.055,69 3.586,70 3.702,71 6.138,72 3.59,73 0.18,74 0.61,75 11.046,76 3.995,77 5.7,78 0.515,79 0.88,80 19.905,81 6.187,82 103.505,83 9.585,84 0.89,85 1.018,86 29.872,87 7.497,88 145.875,89 12.063,90 1.054,91 0.991,92 34.056,93 7.198,94 196.186,95 12.139,96 1.053,97 0.953,98 29.479,99 6.759,100 203.473,101 11.081,102 1.118,103 0.949,104 29.965,105 7.06,106 187.553,107 11.263,108 0.801,109 0.945,110 29.261,111 7.783,112 162.462,113 12.14,114 0.853,115 0.885,116 29.781,117 7.661,118 166.502,119 12.418,121 131,122 29,123 0.288,124 0.76,125 0.844,126 0.866,127 0.873,128 3.187,129 1.002,130 1.32,131 1.1,132 0.77,133 29.2,134 3,135 3,136 1,140 3,145 4,147 1,148 1,149 1,151 2,154 2,155 4,158 1,160 4,162 4,163 2,165 3,166 2,167 1,168 1,170 4,171 3,172 3,173 6,175 1,177 1,178 1,181 4,182 1,186 4,189 1,193 2,194 4,195 1,196 1,197 3,198 1,199 4,200 2,201 1,202 3,203 1,206 1,207 4,209 3,210 2,211 2,214 4,215 1,219 2,220 1,224 2,227 5,228 4,229 1,231 1,232 4,233 1,234 2,235 1,236 5,237 1,238 1,239 1,240 2,241 1,243 1,244 2,246 2,247 1,248 4,251 2,252 2,253 879,254 13.897,255 13.897,256 13.897,257 13.897,258 13.897,259 13.247,260 15.187,261 8.208,262 13.987,263 10.759,264 10.759,265 10.759,266 10.759,267 10.759,268 9.62,269 14.282,270 3.861,271 10.881,272 3.951,273 1.277,274 0.797,275 0.672,276 0.631,277 3.795,278 1,279 1,280 406,281 5.385,284 1.497,285 48.075,286 0.75,287 0.33,288 0.67,289 0.8,290 0.67,291 4.046}
{0 CHEMBL431616,1 0.639,2 1.139,3 1.45,4 1.604,5 7.518,6 0.611,7 2.106,8 0.631,9 0.927,10 1.027,11 0.32,12 0.621,13 0.21,14 57.008,15 9.585,16 10.009,17 3.717,18 1.637,19 1.779,20 9.522,21 -1.959,22 3.836,23 79.517,25 3.908,26 4.039,27 3.589,28 3.324,29 5.092,30 3.267,31 4.456,32 4.633,33 3.797,34 3.65,35 5.975,36 3.579,37 4.807,38 5.029,39 3.744,40 3.776,41 6.092,42 3.682,43 4.855,44 5.119,45 3.769,46 3.761,47 5.988,48 3.677,49 4.762,50 4.98,51 3.944,52 3.752,53 6.336,54 3.698,55 4.822,56 5.037,57 3.863,58 3.799,59 6.307,60 3.696,61 4.816,62 5.048,63 3.733,64 3.806,65 6.001,66 3.655,67 4.8,68 5.061,69 3.735,70 3.75,71 6.185,72 3.577,73 0.323,74 0.602,75 13.958,76 4.552,77 5.457,78 0.78,79 0.853,80 23.394,81 6.843,82 147.013,83 9.265,84 1.124,85 0.967,86 31.438,87 8.016,88 187.443,89 11.591,90 1.094,91 0.959,92 34.612,93 7.448,94 201.393,95 11.627,96 1.189,97 0.947,98 30.775,99 7.181,100 229.337,101 10.763,102 1.357,103 0.95,104 34.693,105 8.663,106 234.658,107 11.395,108 1.125,109 0.931,110 34.818,111 8.96,112 217.72,113 11.654,114 1.128,115 0.852,116 38.492,117 9.303,118 215.856,119 12.1,121 131,122 30,123 0.315,124 0.82,125 0.858,126 0.865,127 0.865,128 3.187,129 1.202,130 2.18,131 1.92,132 1.51,133 25.5,134 2,135 3,136 1,139 1,140 2,145 3,147 1,148 1,149 1,151 2,154 3,155 4,156 1,158 1,160 5,161 1,162 3,163 1,165 3,166 1,167 1,170 3,171 3,172 4,173 5,175 1,178 1,181 3,182 1,186 4,187 1,192 1,193 2,194 3,195 1,196 1,197 4,198 1,199 3,200 2,201 1,202 1,203 1,204 1,206 1,207 4,208 1,209 4,210 4,211 4,213 1,214 2,215 1,216 1,219 2,220 1,224 5,227 3,228 3,229 2,231 1,232 3,234 2,236 5,237 2,239 2,240 2,242 1,243 1,244 2,245 1,246 3,247 3,248 3,249 2,251 3,253 882,254 13.637,255 13.637,256 13.637,257 13.637,258 13.637,259 12.963,260 14.519,261 8.036,262 13.715,263 10.806,264 10.806,265 10.806,266 10.806,267 10.806,268 9.573,269 14.014,270 3.834,271 10.903,272 3.776,273 0.926,274 0.713,275 0.67,276 0.67,277 3.793,279 1,280 404,281 5.477,284 1.501,285 53.382,286 0.75,287 0.33,288 0.67,289 0.8,290 0.67,291 4.222}
{0 CHEMBL83240,1 0.845,2 1.058,3 1.401,4 1.648,5 7.073,6 0.593,7 2.21,8 0.628,9 0.925,10 1.026,11 0.304,12 0.602,13 0.118,14 36.662,15 10.335,16 11.073,17 4.181,18 1.372,19 1.69,20 10.087,21 -1.727,22 2.983,23 78.949,25 3.914,26 4.053,27 3.345,28 3.231,29 5.171,30 3.239,31 4.431,32 4.628,33 3.648,34 3.585,35 5.698,36 3.546,37 4.772,38 5.001,39 3.726,40 3.738,41 6.1,42 3.672,43 4.854,44 5.111,45 3.659,46 3.718,47 6.028,48 3.659,49 4.743,50 4.977,51 3.772,52 3.673,53 6.182,54 3.641,55 4.752,56 4.978,57 3.7,58 3.67,59 6.217,60 3.62,61 4.713,62 4.944,63 3.492,64 3.663,65 5.881,66 3.576,67 4.743,68 5.016,69 3.581,70 3.597,71 6.01,72 3.511,73 0.25,74 0.594,75 10.808,76 3.651,77 5.336,78 0.528,79 0.828,80 19.163,81 5.703,82 88.331,83 8.978,84 0.989,85 0.93,86 28.79,87 7.022,88 169.36,89 11.426,90 1.096,91 0.907,92 32.38,93 6.553,94 190.3,95 11.414,96 1.026,97 0.876,98 28.32,99 6.242,100 177.52,101 10.53,102 1.197,103 0.858,104 28.938,105 6.453,106 206.279,107 10.532,108 0.886,109 0.843,110 27.345,111 6.583,112 161.867,113 10.688,114 0.885,115 0.776,116 28.628,117 6.359,118 156.726,119 11.088,121 115,122 28,123 0.299,124 0.832,125 0.88,126 0.88,127 0.88,128 3.186,129 0.975,130 1.91,131 1.66,132 1.27,133 27.7,134 2,135 3,136 1,138 1,140 2,145 4,147 1,148 1,149 1,151 1,153 1,154 1,155 4,158 1,160 4,162 3,163 1,165 3,166 1,167 1,168 1,170 3,171 4,172 3,173 5,175 1,177 1,178 1,181 3,185 1,186 4,189 1,193 2,194 4,195 1,196 1,197 3,198 1,199 3,200 1,201 1,202 2,206 1,207 4,209 4,210 2,211 2,214 3,219 1,223 1,224 3,227 2,228 1,229 1,231 1,232 4,233 1,234 2,235 1,236 6,237 1,238 1,240 1,241 1,243 1,244 2,246 3,247 1,248 7,251 2,252 2,253 905,254 14.267,255 14.267,256 14.267,257 14.267,258 14.267,259 13.645,260 15.827,261 8.547,262 14.39,263 10.712,264 10.712,265 10.712,266 10.712,267 10.712,268 9.53,269 13.485,270 3.971,271 10.803,272 3.865,273 0.857,274 0.585,275 0.585,276 0.585,277 3.799,279 1,280 429,281 5.292,284 1.584,285 47.148,286 0.75,287 0.33,288 0.67,289 0.8,290 0.67,291 5.549}
{0 CHEMBL85464,1 0.953,2 0.927,3 1.443,4 1.593,5 7.59,6 0.609,7 2.207,8 0.623,9 0.888,10 1.02,11 0.292,12 0.629,13 0.045,14 40.2,15 10.963,16 12.655,17 6.657,18 1.358,19 1.74,20 13.906,21 0.473,22 0.224,23 115.541,24 0.188,25 4.191,26 4.309,27 3.854,28 3.656,29 5.349,30 3.622,31 4.739,32 4.912,33 4.139,34 4.02,35 6.108,36 3.957,37 5.053,38 5.255,39 4.224,40 4.172,41 6.336,42 4.088,43 5.165,44 5.397,45 4.168,46 4.122,47 6.5,48 4.056,49 5.055,50 5.276,51 4.161,52 4.035,53 6.495,54 3.989,55 4.998,56 5.2,57 4.11,58 4.021,59 6.418,60 3.968,61 5.024,62 5.237,63 3.99,64 4.023,65 6.361,66 3.947,67 5.016,68 5.268,69 4.063,70 4.017,71 6.294,72 3.922,73 0.216,74 0.888,75 16.151,76 5.683,77 7.354,78 0.691,79 1.317,80 26.879,81 9.487,82 119.338,83 12.801,84 0.985,85 1.575,86 40.64,87 12.07,88 166.014,89 16.191,90 1.344,91 1.555,92 48.568,93 11.458,94 257.185,95 16.518,96 1.329,97 1.421,98 40.405,99 10.09,100 228.24,101 14.559,102 1.239,103 1.372,104 39.854,105 10.117,106 214.671,107 13.872,108 1.233,109 1.383,110 39.28,111 9.946,112 250.809,113 14.238,114 0.989,115 1.378,116 40.98,117 11.129,118 169.319,119 15.986,121 141,122 44,123 0.283,124 0.813,125 0.857,126 0.857,127 0.857,128 3.501,129 1.076,130 1.05,131 0.85,132 0.55,133 32.3,134 3,135 3,136 1,138 1,140 2,141 4,142 1,143 1,145 4,147 1,148 1,149 1,151 1,154 1,155 9,157 1,158 1,160 6,162 3,163 1,165 9,166 1,167 1,168 1,170 7,171 3,172 3,173 7,175 1,176 4,177 1,178 1,180 2,181 7,186 6,189 1,193 2,194 8,195 1,196 1,197 5,198 1,199 4,200 1,201 1,202 2,206 1,207 8,209 3,210 2,211 5,214 3,218 2,219 2,224 4,227 2,228 1,229 1,231 1,232 9,233 1,234 4,235 1,236 6,237 1,238 1,240 1,241 1,243 1,244 6,246 2,247 1,248 7,250 2,251 2,252 2,253 2022,254 19.8,255 19.8,256 19.8,257 19.8,258 19.8,259 18.139,260 19.718,261 11.603,262 20.02,263 15.706,264 15.706,265 15.706,266 15.706,267 15.706,268 12.976,269 16.21,270 5.491,271 16.042,272 4.214,273 0.952,274 0.682,275 0.682,276 0.682,277 4.142,278 1,280 874,281 5.916,283 140.858,284 1.986,285 67.904,286 0.5,287 0.17,288 0.5,289 0.7,290 0.33,291 5.699}
{0 CHEMBL87766,1 0.835,2 1.064,3 1.42,4 1.565,5 7.053,6 0.58,7 2.255,8 0.624,9 0.924,10 1.025,11 0.302,12 0.589,13 0.17,14 36.616,15 9.572,16 10.269,17 3.93,18 1.4,19 1.66,20 9.5,21 -0.768,22 0.59,23 75.362,25 3.864,26 3.996,27 3.291,28 3.204,29 5.103,30 3.208,31 4.392,32 4.584,33 3.617,34 3.554,35 5.735,36 3.511,37 4.734,38 4.962,39 3.651,40 3.704,41 6.011,42 3.63,43 4.807,44 5.065,45 3.612,46 3.683,47 5.963,48 3.621,49 4.698,50 4.925,51 3.744,52 3.637,53 6.199,54 3.606,55 4.714,56 4.939,57 3.627,58 3.63,59 6.144,60 3.575,61 4.662,62 4.89,63 3.402,64 3.61,65 5.831,66 3.518,67 4.667,68 4.937,69 3.51,70 3.516,71 6.025,72 3.427,73 0.197,74 0.569,75 10.189,76 3.654,77 5.196,78 0.531,79 0.809,80 18.414,81 5.668,82 102.589,83 8.768,84 0.919,85 0.922,86 27.742,87 6.906,88 157.102,89 11.078,90 0.977,91 0.903,92 30.748,93 6.497,94 182.533,95 11.096,96 1.011,97 0.868,98 27.039,99 6.159,100 190.733,101 10.151,102 1.118,103 0.839,104 27.869,105 6.352,106 191.456,107 10.177,108 0.819,109 0.805,110 26.036,111 6.563,112 165.396,113 10.295,114 0.836,115 0.725,116 26.525,117 6.258,118 163.436,119 10.504,121 112,122 27,123 0.297,124 0.81,125 0.866,126 0.874,127 0.874,128 3.145,129 0.986,130 1.58,131 1.35,132 1,133 28.9,134 2,135 3,136 1,138 1,140 2,145 4,147 1,148 1,149 1,151 2,154 2,155 4,158 1,160 4,162 3,163 2,165 3,166 1,167 1,168 1,170 3,171 3,172 3,173 5,175 1,177 1,178 1,181 3,182 1,186 4,189 1,193 2,194 4,195 1,196 1,197 3,198 1,199 3,200 2,201 1,202 2,203 1,206 1,207 4,209 3,210 2,211 2,214 3,215 1,219 1,220 1,224 2,227 2,228 4,229 1,231 1,232 4,233 1,234 2,235 1,236 5,237 1,238 1,240 2,241 1,243 1,244 2,246 2,247 1,248 4,251 2,252 2,253 784,254 13.397,255 13.397,256 13.397,257 13.397,258 13.397,259 12.722,260 14.224,261 8.078,262 13.48,263 10.301,264 10.301,265 10.301,266 10.301,267 10.301,268 9.123,269 12.853,270 3.838,271 10.41,272 3.831,273 0.967,274 0.656,275 0.611,276 0.611,277 3.753,279 1,280 385,281 5.196,284 1.5,285 46.125,286 0.75,287 0.33,288 0.67,289 0.8,290 0.67,291 4.469}
{0 CHEMBL87811,1 0.691,2 0.98,3 1.397,4 1.562,5 6.896,6 0.604,7 2.152,8 0.607,9 0.98,10 1.019,11 0.318,12 0.61,13 0.171,14 39.609,15 10.012,16 10.561,17 3.555,18 1.39,19 1.756,20 9.5,21 -0.43,22 0.185,23 72.793,25 3.877,26 4.007,27 3.282,28 3.265,29 5.102,30 3.3285,31 4.393,32 4.58,33 3.615,34 3.608,35 5.709,36 3.6475,37 4.751,38 4.977,39 3.654,40 3.741,41 6.014,42 3.791,43 4.834,44 5.099,45 3.609,46 3.725,47 5.963,48 3.803,49 4.71,50 4.938,51 3.741,52 3.688,53 6.184,54 3.7845,55 4.726,56 4.947,57 3.627,58 3.703,59 6.147,60 3.7505,61 4.681,62 4.911,63 3.394,64 3.701,65 5.815,66 3.7285,67 4.695,68 4.966,69 3.511,70 3.632,71 5.999,72 3.692,73 0.301,74 0.645,75 10.641,76 4.12,77 6.053,78 0.574,79 0.933,80 18.624,81 6.418,82 95.603,83 10.2575,84 0.9,85 1.026,86 28.305,87 7.599,88 150.489,89 13.1145,90 0.967,91 1.018,92 31.47,93 7.226,94 174.556,95 13.105,96 1.003,97 1.008,98 27.417,99 6.884,100 180.534,101 12.107,102 1.134,103 1.011,104 28.248,105 7.638,106 189.018,107 12.2245,108 0.833,109 1.006,110 26.492,111 8.003,112 154.786,113 12.559,114 0.895,115 0.957,116 27.045,117 8.372,118 154.7,119 12.9945,120 1,121 112,122 27,123 0.314,124 0.827,125 0.866,126 0.866,127 0.866,128 3.145,129 1.007,130 2.57,131 2.29,132 1.84,133 26.1,134 2,135 3,136 1,139 1,140 2,145 3,147 1,148 1,149 1,151 1,154 1,155 4,158 1,160 3,161 1,162 3,163 1,165 3,166 1,167 1,168 1,170 3,171 2,172 4,173 5,175 1,177 1,178 1,181 3,186 4,189 1,193 1,194 4,195 1,196 1,197 4,198 1,199 3,200 1,201 1,202 2,206 1,207 3,209 2,210 3,211 3,214 3,224 3,227 2,228 1,229 1,232 1,233 1,234 3,235 1,236 8,237 1,238 1,240 1,241 1,243 1,244 1,246 2,247 1,248 5,251 2,252 2,253 784,254 13.397,255 13.397,256 13.397,257 13.397,258 13.397,259 12.93,260 14.526,261 8.078,262 13.66,263 10.301,264 10.301,265 10.301,266 10.301,267 10.301,268 9.444,269 14.003,270 3.838,271 10.638,272 3.768,273 0.902,274 0.685,275 0.685,276 0.685,277 3.753,279 1,280 385,281 5.196,284 1.5,285 45.266,286 0.75,287 0.33,288 0.67,289 0.8,290 0.67,291 4.745}
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{0 CHEMBL88662,1 0.902,2 1.014,3 1.375,4 1.477,5 6.297,6 0.485,7 3.162,8 0.566,9 1.045,10 1.005,11 0.25,12 0.489,13 0.133,14 28.958,15 17.042,16 17.922,17 4.632,18 1.436,19 1.546,20 15.125,21 -0.225,22 0.051,23 119.326,25 4.325,26 4.478,27 3.662,28 3.687,29 5.419,30 3.652,31 4.892,32 5.11,33 3.951,34 4.064,35 6.011,36 3.97,37 5.252,38 5.522,39 4.027,40 4.225,41 6.302,42 4.1,43 5.32,44 5.599,45 4.032,46 4.223,47 6.339,48 4.115,49 5.262,50 5.519,51 4.143,52 4.202,53 6.537,54 4.118,55 5.273,56 5.523,57 4.087,58 4.219,59 6.499,60 4.124,61 5.278,62 5.531,63 4.015,64 4.254,65 6.333,66 4.137,67 5.316,68 5.583,69 4.091,70 4.266,71 6.484,72 4.142,73 0.137,74 0.944,75 17.988,76 6.242,77 9.349,78 0.512,79 1.366,80 31.694,81 9.847,82 101.973,83 15.545,84 0.905,85 1.576,86 45.647,87 12.052,88 149.328,89 19.831,90 0.933,91 1.566,92 49.108,93 11.639,94 164.86,95 19.776,96 1.174,97 1.54,98 47.117,99 11.384,100 221.656,101 18.883,102 1.274,103 1.547,104 47.817,105 11.77,106 213.896,107 19.131,108 0.944,109 1.582,110 47.118,111 12.615,112 171.353,113 20.157,114 0.961,115 1.592,116 48.66,117 13.084,118 189.172,119 21.161,121 154,122 38,123 0.247,124 0.724,125 0.844,126 0.882,127 0.895,128 3.501,129 1.093,130 1.1,131 0.9,132 0.59,133 28.8,134 2,135 8,136 1,138 3,140 3,145 4,147 2,148 2,149 2,151 2,154 2,155 7,158 1,160 4,162 7,163 2,165 4,166 2,167 2,168 1,170 4,171 3,172 3,173 10,175 1,177 2,178 2,181 5,182 1,186 7,189 2,190 1,193 2,194 6,195 1,196 1,197 3,198 2,199 5,200 2,201 2,202 5,203 1,206 1,207 5,209 3,210 3,211 3,212 1,214 7,215 1,219 2,220 1,222 1,223 1,224 4,227 8,228 4,229 2,231 1,232 5,233 1,234 3,235 1,236 7,237 1,238 1,239 5,240 3,241 2,243 1,244 4,246 2,247 2,248 8,250 4,251 3,252 3,253 2308,254 20.424,255 20.424,256 20.424,257 20.424,258 20.424,259 19.774,260 23.092,261 12.861,262 20.597,263 15.235,264 15.235,265 15.235,266 15.235,267 15.235,268 14.102,269 21.782,270 6.108,271 15.488,272 4.644,273 1.669,274 0.918,275 0.678,276 0.596,277 4.135,280 917,281 6.164,284 2.508,285 58.33,286 0.5,287 0.17,288 0.5,289 0.7,290 0.33,291 4.495}
{0 CHEMBL90802,1 0.87,2 1.049,3 1.42,4 1.549,5 6.801,6 0.553,7 2.518,8 0.606,9 0.971,10 1.018,11 0.286,12 0.56,13 0.136,14 38.222,15 11.193,16 11.924,17 4.18,18 1.382,19 1.639,20 10.2,21 -1.506,22 2.269,23 87.847,25 4.022,26 4.166,27 3.417,28 3.363,29 5.228,30 3.356,31 4.559,32 4.759,33 3.746,34 3.732,35 5.83,36 3.675,37 4.921,38 5.164,39 3.836,40 3.899,41 6.13,42 3.819,43 5.015,44 5.272,45 3.846,46 3.893,47 6.184,48 3.836,49 4.936,50 5.16,51 3.962,52 3.854,53 6.447,54 3.825,55 4.936,56 5.16,57 3.832,58 3.861,59 6.349,60 3.802,61 4.911,62 5.149,63 3.692,64 3.893,65 6.03,66 3.796,67 4.96,68 5.22,69 3.773,70 3.888,71 6.237,72 3.78,73 0.194,74 0.677,75 12.47,76 4.305,77 6.304,78 0.531,79 0.97,80 22.148,81 6.811,82 108.43,83 10.672,84 0.927,85 1.118,86 33.395,87 8.302,88 159.517,89 13.638,90 1.066,91 1.105,92 37.537,93 7.955,94 196.667,95 13.628,96 1.251,97 1.068,98 34.738,99 7.54,100 240.825,101 12.599,102 1.309,103 1.058,104 34.916,105 7.861,106 230.123,107 12.743,108 0.881,109 1.082,110 33.089,111 8.64,112 176.051,113 13.653,114 0.911,115 1.063,116 34.673,117 8.837,118 180.799,119 14.563,121 141,122 31,123 0.282,124 0.779,125 0.858,126 0.877,127 0.884,128 3.266,129 1.011,130 1.79,131 1.55,132 1.18,133 28.3,134 2,135 4,136 1,138 1,140 3,145 4,147 2,148 2,149 2,151 2,154 2,155 4,158 1,160 4,162 5,163 2,165 3,166 2,167 2,168 1,170 4,171 3,172 3,173 6,175 1,177 1,178 1,181 4,182 1,185 1,186 4,187 1,188 1,189 1,192 1,193 2,194 4,195 1,196 2,197 4,198 2,199 4,200 2,201 2,202 3,203 1,206 1,207 4,208 1,209 4,210 2,211 2,214 4,215 1,219 2,220 1,223 1,224 3,226 1,227 5,228 4,229 2,231 1,232 4,233 1,234 2,235 1,236 6,237 1,238 1,239 1,240 2,241 2,243 1,244 2,245 1,246 3,247 1,248 7,251 2,252 5,253 1110,254 15.474,255 15.474,256 15.474,257 15.474,258 15.474,259 14.824,260 16.768,261 9.336,262 15.574,263 11.735,264 11.735,265 11.735,266 11.735,267 11.735,268 10.602,269 15.803,270 4.309,271 11.881,272 4.089,273 1.203,274 0.745,275 0.632,276 0.595,277 3.881,279 1,280 473,281 5.568,284 1.584,285 52.851,286 0.75,287 0.33,288 0.67,289 0.8,290 0.5,291 4.863}
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