"molecule_id","GATS5i","GATS7p","MATS5i","SdO","MATS5p","CATS2D_07_NL","CATS2D_08_DL","CATS2D_08_NL","JGI4","MATS7p","GATS7i","GATS6p","IC2","Eig01_EA.ri.","SpDiam_EA.ri.","SpMax_EA.ri.","CATS2D_09_AL","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","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","BAC","BBI","BIC0","BIC1","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.040","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AN","CATS2D_01_DN","CATS2D_01_LL","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_DA","CATS2D_02_DL","CATS2D_02_DN","CATS2D_02_LL","CATS2D_02_NL","CATS2D_02_PL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AN","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_DN","CATS2D_03_LL","CATS2D_03_NL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DN","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_PL","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_05_PL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_AN","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DN","CATS2D_06_LL","CATS2D_06_NL","CATS2D_06_NN","CATS2D_06_PL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_AN","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_DN","CATS2D_07_LL","CATS2D_07_NN","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AN","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DN","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_NN","CATS2D_09_AA","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","CSI","DBI","D.Dtr05","D.Dtr06","D.Dtr09","DECC","DELS","Depressant.50","Depressant.80","DLS_02","DLS_03","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.ed.","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.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.ed.","Eig12_EA.ri.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","Eig13_EA.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.dm.","Eig15_EA.ed.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C","Eta_C_A","Eta_epsi","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_y","F.084","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6s","GATS6v","GATS7e","GATS7m","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8p","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTI","GMTIV","GNar","H.","H.046","H.047","H.048","H.050","H.051","H.052","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypnotic.50","Hypnotic.80","IAC","IC0","IC1","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.50","Inflammat.80","ISIZ","IVDE","IVDM","pXC50"
{1 1.001,2 1.093,4 24.286,5 0.005,6 2,7 2,8 2,9 0.046,10 -0.038,11 0.98,12 1.039,13 4.454,14 3.055,15 5.055,16 3.055,17 2,18 1.602,19 11.37,20 3.192,21 10.19,22 104.371,23 7.79,24 0.429,25 3.986,26 4.083,27 3.551,28 3.538,29 5.208,30 3.499,31 4.471,32 4.61,33 3.885,34 3.917,35 5.719,36 3.849,37 4.824,38 5.007,39 4.008,40 4.096,41 5.988,42 4.003,43 4.953,44 5.16,45 4.047,46 4.122,47 6.128,48 4.007,49 4.956,50 5.188,51 4.031,52 4.104,53 6.206,54 3.977,55 4.893,56 5.1,57 4.035,58 4.05,59 6.118,60 3.942,61 4.863,62 5.061,63 3.986,64 3.952,65 6.189,66 3.856,67 4.724,68 4.932,69 3.827,70 3.829,71 6.159,72 3.722,73 0.117,74 0.654,75 10.906,76 5.127,77 25.097,78 5.951,79 0.251,80 1.044,81 18.749,82 8.401,83 54.504,84 10.394,85 0.476,86 1.387,87 28.584,88 11.157,89 87.195,90 13.947,91 0.582,92 1.541,93 36.192,94 12.437,95 116.041,96 15.538,97 0.675,98 1.546,99 38.924,100 13.133,101 141.667,102 16.538,103 0.542,104 1.425,105 35.916,106 12.264,107 111.195,108 14.522,109 0.739,110 1.318,111 37.959,112 11.738,113 143.596,114 13.271,115 0.842,116 1.13,117 30.249,118 10.029,119 157.221,120 12.171,121 54,122 38,123 0.272,124 0.624,125 0.757,126 0.814,127 0.841,128 0.862,129 3.34,130 0.981,131 -3.58,132 -3.56,133 -3.39,134 40,135 1,136 1,137 2,139 1,141 1,142 8,143 2,144 2,145 2,149 1,150 1,151 12,154 1,155 2,156 6,157 1,158 15,159 1,162 2,164 1,165 1,166 7,168 12,169 1,172 4,173 1,176 7,178 5,179 3,181 1,182 6,184 1,186 9,188 2,189 3,192 7,196 7,198 5,199 2,203 4,206 1,207 2,208 1,209 8,212 2,215 2,216 2,219 10,223 1,225 3,227 10,229 1176,230 17.577,231 17.577,232 17.577,233 17.577,234 17.577,235 15.736,236 17.469,237 10.264,238 17.723,239 13.673,240 13.673,241 13.673,242 13.673,243 13.673,244 10.956,245 12.31,246 4.754,247 13.94,248 4.042,249 1.975,250 1.19,251 0.855,252 0.695,253 0.575,254 3.998,255 1,256 627,257 4.472,259 219.027,261 1.597,262 43.241,265 1,266 1,267 0.83,268 1,269 0.98,270 59.5,271 307,272 4.235,273 3.855,274 6.578,275 4.063,276 3.066,277 3.694,278 10.26,279 4.066,280 3.699,281 6.001,282 3.791,283 2.804,284 3.624,285 1.906,286 8.558,287 2.76,288 3.921,289 3.236,290 5.623,291 3.537,292 2.552,293 3.217,294 0.262,295 7.33,296 2.512,297 3.769,298 2.991,299 5.346,300 3.437,301 2.455,302 2.99,304 6.822,305 2.403,306 3.457,307 2.816,308 5.003,309 3.107,310 2.129,311 2.712,313 5.89,314 2.067,315 3.375,316 2.546,317 4.87,318 2.995,319 2.023,320 2.639,321 5.601,322 1.952,323 2.761,324 2.452,325 4.386,326 2.458,327 1.475,328 1.755,329 3.893,330 1.432,331 2.5,332 1.929,333 3.691,334 2.02,335 1.019,336 1.5,337 2.491,338 1.003,339 2.5,340 1.684,341 3.414,342 2,343 1,344 1.5,345 2.275,346 1,347 2.359,348 1,349 3.414,350 2,351 1,352 1.229,353 2.275,354 1,355 1.951,356 1,357 3.379,358 1.767,359 0.844,360 0.905,361 1.674,362 0.759,363 1.351,364 0.818,365 2.783,366 1.071,367 0.119,368 0.136,369 0.265,370 0.111,371 1.084,372 0.578,373 2.372,374 0.75,375 -0.154,376 -0.175,377 -0.276,378 -0.135,379 0.838,380 0.513,381 2.158,382 0.576,383 -0.341,384 -0.385,385 -0.678,386 -0.309,387 0.779,388 0.133,389 2,390 0.464,391 -0.529,392 -0.644,394 -1.25,395 -0.512,396 12.9,397 0.478,398 0.774,399 0.029,400 31.75,401 1.176,402 16,403 0.593,404 15.75,405 0.583,406 25.594,407 0.948,408 30.3,409 0.606,410 25.144,411 0.931,412 6.025,413 0.223,414 6.787,415 0.251,416 0.233,417 0.349,419 0.876,420 1.055,421 0.904,422 0.978,423 0.825,424 0.934,425 0.485,426 1.219,427 0.89,428 1.154,429 0.489,430 1.112,431 0.883,432 1.081,433 0.926,434 1.001,435 0.916,436 1.084,437 1.039,438 1.121,439 0.998,440 1.04,441 1.062,442 1.08,443 0.742,444 0.988,445 1.002,446 0.764,447 0.943,448 1.155,449 1.044,450 1.084,451 1.172,452 0.98,453 1.433,454 1.231,455 1.491,456 0.981,457 1.019,458 0.828,459 0.936,460 0.874,461 1.049,462 0.921,463 6.5,464 0.14,465 3.556,466 2,467 1.684,468 0.965,469 0.813,470 0.589,471 0.283,472 0.202,473 8032,474 27068,475 1.913,476 46,477 4,478 11,480 5,481 1,482 2,483 1.704,484 1.742,485 3.459,486 2.511,487 1,490 80.103,491 1.602,492 3.669,493 4.789,494 4.949,495 5.069,496 2.893,497 4.208,498 4.726,499 3.586,500 1258.64,501 8.22,502 16373.8,504 1,505 282.193,506 1.561,507 4.65,508 8.102}
{0 CHEMBL11236,1 0.972,2 1.141,3 0.028,4 24.172,5 0.007,6 4,7 5,8 3,9 0.032,10 -0.097,11 1.075,12 1.025,13 4.364,14 3.05,15 5.05,16 3.05,17 7,18 1.54,19 11.556,20 3.275,21 10.724,22 107.271,23 7.453,24 0.429,25 4.009,26 4.115,27 3.554,28 3.572,29 5.141,30 3.52,31 4.528,32 4.68,33 3.843,34 3.931,35 5.673,36 3.848,37 4.829,38 5.028,39 3.971,40 4.086,41 5.89,42 3.977,43 4.956,44 5.168,45 4.044,46 4.089,47 6.126,48 3.972,49 4.94,50 5.167,51 3.977,52 4.08,53 6.16,54 3.941,55 4.897,56 5.124,57 3.96,58 4.057,59 5.971,60 3.917,61 4.872,62 5.088,63 3.993,64 3.952,65 6.122,66 3.851,67 4.751,68 4.969,69 3.702,70 3.795,71 5.982,72 3.708,73 0.039,74 0.678,75 11.675,76 5.393,77 13.6,78 6.599,79 0.284,80 1.081,81 21.336,82 8.776,83 55.007,84 11.036,85 0.384,86 1.396,87 29.743,88 11.399,89 64.38,90 14.707,91 0.657,92 1.516,93 37.481,94 12.397,95 104.138,96 15.632,97 0.702,98 1.509,99 38.576,100 12.894,101 136.265,102 16.09,103 0.379,104 1.449,105 36.625,106 12.692,107 84.135,108 15.546,109 0.506,110 1.37,111 38.831,112 11.772,113 101.52,114 13.928,115 0.477,116 1.153,117 30.5,118 9.801,119 91.689,120 11.882,121 30,122 36,123 0.26,124 0.587,125 0.736,126 0.805,127 0.848,128 0.868,129 3.339,130 1.014,131 -4.04,132 -3.99,133 -3.78,134 40.4,135 1,137 2,139 3,141 1,142 10,143 2,145 2,149 1,150 1,151 15,154 2,155 2,156 1,157 1,158 17,162 3,163 1,164 2,165 1,166 1,168 12,171 1,172 4,173 1,174 1,176 2,178 5,179 1,181 2,182 5,184 1,186 4,188 2,189 2,192 5,196 6,199 4,203 8,207 7,209 1,212 8,219 3,225 3,227 6,228 1,229 1221,230 18.096,231 18.096,232 18.096,233 18.096,234 18.096,235 16.305,236 16.083,237 11.023,238 18.279,239 13.724,240 13.724,241 13.724,242 13.724,243 13.724,244 11.119,245 15.059,246 5.108,247 14.008,248 4.16,249 2.22,250 1.336,251 0.928,252 0.668,253 0.553,254 4.003,255 1,256 641,257 4.583,259 224.726,261 1.794,262 33.487,265 0.83,266 0.83,267 1,268 1,269 0.95,270 58.5,271 312,272 4.215,273 3.854,274 6.577,275 4.058,276 3.059,277 3.588,278 10.255,279 3.935,280 3.698,281 5.953,282 3.71,283 2.733,284 3.444,285 1.906,286 8.316,287 2.657,288 3.889,289 3.236,290 5.592,291 3.504,292 2.514,293 3.169,294 1.151,295 7.125,296 2.488,297 3.7,298 2.966,299 5.339,300 3.377,301 2.371,302 2.912,303 0.262,304 6.958,305 2.375,306 3.085,307 2.843,308 4.459,309 2.713,310 1.707,311 2.245,313 4.161,314 1.709,315 2.949,316 2.296,317 3.868,318 2.549,319 1.595,320 2.113,321 3.356,322 1.521,323 2.686,324 1.913,325 3.715,326 2.343,327 1.368,328 1.676,329 3.056,330 1.316,331 2.531,332 1.796,333 3.576,334 2.197,335 1.24,336 1.5,337 2.784,338 1.168,339 2.5,340 1.408,341 3.282,342 2,343 1,344 1.5,345 2.136,346 1,347 2.5,348 1.38,349 3.247,350 2,351 1,352 1.481,353 2.136,354 1,355 2.002,356 1,357 3.247,358 1.74,359 0.795,360 0.907,361 1.817,362 0.74,363 1.891,364 1,365 3.081,366 1.654,367 0.735,368 0.816,369 1.435,370 0.656,371 1.107,372 0.672,373 2.605,374 0.871,375 -0.048,376 -0.051,377 -0.102,378 -0.043,379 0.904,380 0.499,381 2.269,382 0.618,383 -0.288,384 -0.319,385 -0.512,386 -0.255,387 0.69,388 0.475,389 2.062,390 0.335,391 -0.671,392 -0.829,394 -1.539,395 -0.664,396 13.067,397 0.484,398 0.562,399 0.021,400 30.75,401 1.139,402 15,403 0.556,404 15.75,405 0.583,406 25.602,407 0.948,408 30.133,409 0.579,410 23.319,411 0.864,412 6.016,413 0.223,414 7.008,415 0.26,416 0.179,417 0.268,419 0.779,420 1.158,421 0.899,422 1.071,423 0.698,424 1.008,425 0.762,426 1.154,427 0.992,428 1.097,429 0.557,430 1.102,431 0.855,432 1.069,433 0.905,434 1.009,435 0.916,436 1.071,437 1.172,438 1.057,439 0.986,440 0.997,441 1.181,442 1.017,443 0.962,444 1.092,445 1.001,446 0.953,447 0.967,448 1.155,449 1.045,450 1.075,451 1.234,452 0.972,453 1.446,454 1.156,455 1.401,456 0.957,457 1.746,458 0.875,459 1.043,460 0.859,461 1.673,462 0.887,463 4.5,464 0.128,465 2.889,466 1.875,467 1.142,468 0.771,469 0.652,470 0.415,471 0.264,472 0.186,473 8576,474 24548,475 1.954,476 48.1,477 4,478 17,480 3,481 1,483 1.702,484 1.82,485 3.482,486 0.908,487 1,490 80.088,491 1.54,492 3.48,493 4.772,494 5.032,495 5.147,496 2.936,497 4.31,498 4.726,499 3.657,500 1283.62,501 8.212,502 17097,504 1,505 296.423,506 1.427,507 4.677,508 7.367}
{0 CHEMBL11297,1 0.769,2 1.246,3 -0.007,4 22.821,5 0.006,6 2,7 2,8 2,9 0.042,10 -0.137,11 1.12,12 1.082,13 4.419,14 3.052,15 5.052,16 3.052,17 2,18 1.745,19 8.5,20 2.377,21 5.648,22 76.58,23 7.879,24 0.3,25 3.697,26 3.805,27 3.269,28 3.232,29 4.911,30 3.184,31 4.211,32 4.374,33 3.6,34 3.589,35 5.496,36 3.516,37 4.542,38 4.743,39 3.74,40 3.763,41 5.772,42 3.674,43 4.651,44 4.854,45 3.775,46 3.799,47 5.913,48 3.685,49 4.643,50 4.878,51 3.666,52 3.785,53 5.913,54 3.62,55 4.548,56 4.787,57 3.634,58 3.701,59 5.676,60 3.534,61 4.482,62 4.717,63 3.492,64 3.473,65 5.804,66 3.333,67 4.187,68 4.443,69 3.116,70 3.037,71 5.693,72 2.941,73 0.089,74 0.573,75 8.38,76 4.004,77 17.877,78 4.663,79 0.276,80 0.896,81 15.644,82 6.499,83 55.512,84 7.997,85 0.49,86 1.141,87 22.898,88 8.323,89 81.933,90 10.206,91 0.599,92 1.16,93 28.174,94 9.052,95 113.114,96 10.945,97 0.65,98 1.096,99 30.41,100 9.863,101 135.155,102 12.205,103 0.422,104 1.077,105 27.668,106 9.357,107 85.846,108 11.158,109 0.597,110 0.989,111 29.97,112 8.3,113 116.554,114 9.175,115 0.642,116 0.722,117 20.201,118 5.427,119 113.67,120 6.475,121 59,122 27,123 0.322,124 0.676,125 0.814,126 0.873,127 0.873,128 0.873,129 3.057,130 1.034,131 -3.8,132 -3.76,133 -3.57,134 36.8,135 2,137 2,139 1,141 1,142 4,143 1,144 1,145 2,149 1,150 1,151 7,154 1,155 2,156 2,157 1,158 9,159 1,162 2,164 1,165 1,166 2,168 8,172 3,173 1,176 2,178 5,179 1,181 1,182 3,184 1,186 3,188 1,189 1,192 3,196 3,198 2,199 2,203 2,207 2,209 2,212 2,219 2,225 2,229 534,230 12.698,231 12.698,232 12.698,233 12.698,234 12.698,235 11.634,236 12.567,237 7.339,238 12.835,239 9.697,240 9.697,241 9.697,242 9.697,243 9.697,244 8.068,245 9.486,246 3.322,247 9.933,248 3.503,249 1.58,250 0.829,251 0.513,252 0.513,253 0.513,254 3.681,255 1,256 329,257 4.243,259 77.645,261 1.35,262 34.889,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 45,271 170,272 4.231,273 3.847,274 6.576,275 4.059,276 3.06,277 3.693,278 10.249,279 3.943,280 3.688,281 5.818,282 3.664,283 2.681,284 3.21,285 1.906,286 7.814,287 2.621,288 3.756,289 3.236,290 5.575,291 3.446,292 2.466,293 2.951,294 0.262,295 7.029,296 2.412,297 3.454,298 3.031,299 5.003,300 3.089,301 2.122,302 2.698,304 5.878,305 2.025,306 2.76,307 2.777,308 4.386,309 2.455,310 1.476,311 1.753,313 3.893,314 1.425,315 2.5,316 2.014,317 3.6,318 2,319 1,320 1.5,321 2.275,322 1,323 2.298,324 1.714,325 3.414,326 1.973,327 0.976,328 1.152,329 2.243,330 0.954,331 1.949,332 1,333 3.192,334 1.753,335 0.828,336 0.894,337 1.579,338 0.743,339 1.084,340 0.868,341 2.394,342 0.743,343 -0.131,344 -0.143,345 -0.226,346 -0.111,347 0.83,348 0.523,349 2.221,350 0.573,351 -0.334,352 -0.374,353 -0.667,354 -0.294,355 0.733,356 0.268,357 2,358 0.441,359 -0.591,360 -0.716,361 -1.319,362 -0.597,363 0.5,364 0.128,365 1.697,367 -1,368 -1.272,369 -2,370 -0.961,371 0.432,372 -0.817,373 1.558,375 -1,376 -1.371,377 -2.963,378 -1,379 -0.044,380 -0.885,381 1.338,382 -0.322,383 -1.227,384 -1.5,385 -3,386 -1.097,387 -0.281,388 -0.971,389 1.298,390 -0.405,391 -1.396,392 -1.663,394 -3.569,395 -1.408,396 9.519,397 0.476,398 0.638,399 0.032,400 20.5,401 1.025,402 9,403 0.45,404 11.5,405 0.575,406 19.396,407 0.97,408 23.481,409 0.618,410 14.792,411 0.74,412 3.778,413 0.189,414 5.584,415 0.279,416 0.328,417 0.368,418 1,419 0.678,420 1.077,421 0.882,422 1.088,423 0.651,424 1.037,425 0.478,426 1.114,427 0.847,428 1.121,429 0.486,430 1.086,431 0.897,432 0.969,433 0.874,434 0.916,435 0.91,436 1.01,437 1.102,438 0.924,439 1.035,440 1.008,441 1.108,442 1.087,443 0.633,444 1.052,445 1.014,446 0.676,447 1.009,448 0.784,449 0.964,450 1.05,451 0.802,452 1.029,453 1.307,454 1.354,455 1.287,456 1.049,457 1.207,458 0.903,459 0.86,460 0.818,461 1.198,462 0.84,463 5,464 0.058,465 3.111,466 1.625,467 1.102,468 0.681,469 0.468,470 0.318,471 0.119,472 0.091,473 3074,474 12555,475 1.808,476 47.4,477 4,478 7,480 3,481 1,482 3,483 1.621,484 1.622,485 3.084,486 1.152,487 1,489 1,490 66.305,491 1.745,492 3.668,493 4.735,494 4.735,495 4.735,496 2.528,497 3.784,498 4.292,499 3.211,500 610.055,501 7.35,502 6299.38,503 1,504 1,505 199.421,506 1.581,507 4.19,508 8}
{0 CHEMBL11344,1 1.009,2 1.095,3 -0.008,4 24.476,5 -0.004,6 2,7 2,8 1,9 0.046,10 -0.052,11 1.002,12 1.038,13 4.803,14 3.068,15 5.068,16 3.068,17 2,18 1.61,19 11.586,20 3.176,21 10.085,22 110.834,23 7.769,24 0.4,25 4.067,26 4.162,27 3.629,28 3.586,29 5.29,30 3.557,31 4.56,32 4.702,33 3.962,34 3.958,35 5.79,36 3.905,37 4.874,38 5.044,39 4.12,40 4.15,41 6.077,42 4.076,43 5.03,44 5.225,45 4.157,46 4.205,47 6.219,48 4.106,49 5.072,50 5.296,51 4.128,52 4.202,53 6.308,54 4.084,55 5.013,56 5.217,57 4.13,58 4.152,59 6.202,60 4.051,61 4.999,62 5.196,63 4.149,64 4.077,65 6.316,66 3.984,67 4.908,68 5.131,69 3.976,70 3.983,71 6.274,72 3.864,73 0.142,74 0.706,75 11.832,76 5.54,77 25.514,78 6.393,79 0.36,80 1.111,81 21.124,82 8.941,83 62.094,84 10.928,85 0.616,86 1.446,87 29.717,88 11.58,89 91.143,90 14.396,91 0.683,92 1.642,93 38.332,94 13.194,95 118.344,96 16.452,97 0.853,98 1.686,99 43.092,100 14.275,101 157.936,102 17.978,103 0.709,104 1.569,105 40.036,106 13.461,107 121.415,108 16.105,109 0.987,110 1.479,111 42.64,112 13.08,113 155.908,114 15.316,115 0.988,116 1.342,117 36.971,118 11.948,119 170.956,120 14.839,121 74,122 41,123 0.269,124 0.629,125 0.803,126 0.873,127 0.896,128 0.896,129 3.408,130 0.968,131 -3.32,132 -3.3,133 -3.16,134 38.9,135 1,136 1,137 2,138 1,139 1,141 1,142 7,143 2,144 3,145 2,149 1,150 1,151 11,154 2,155 2,156 5,157 1,158 13,159 1,162 4,164 2,165 1,166 7,168 10,169 1,172 6,173 1,176 7,178 3,179 3,181 1,182 8,184 1,186 9,188 2,189 3,192 6,196 6,198 5,199 2,202 1,203 4,205 1,206 1,207 2,208 1,209 8,212 2,215 2,216 2,219 9,222 1,223 1,225 2,227 9,229 1423,230 18.947,231 18.947,232 18.947,233 18.947,234 18.947,235 17.106,236 20.388,237 10.954,238 19.259,239 14.579,240 14.579,241 14.579,242 14.579,243 14.579,244 11.769,245 17.247,246 4.963,247 15.018,248 4.145,249 1.994,250 0.952,251 0.537,252 0.398,253 0.398,254 4.066,256 683,257 4.637,259 236.162,261 1.71,262 47.749,265 1,266 0.83,267 0.83,268 1,269 0.95,270 64.5,271 336,272 4.321,273 3.855,274 6.588,275 4.082,276 3.088,277 3.923,278 10.312,279 4.102,280 3.7,281 6.074,282 3.821,283 2.846,284 3.625,285 1.906,286 8.759,287 2.774,288 4.011,289 3.239,290 5.974,291 3.697,292 2.725,293 3.277,294 0.86,295 8.424,296 2.636,297 3.818,298 3.175,299 5.536,300 3.488,301 2.51,302 3.035,303 0.262,304 7.046,305 2.445,306 3.532,307 2.828,308 5.343,309 3.207,310 2.214,311 2.778,313 6.709,314 2.182,315 3.376,316 2.81,317 4.871,318 2.996,319 2.024,320 2.642,321 5.604,322 1.953,323 2.886,324 2.452,325 4.415,326 2.477,327 1.534,328 2.024,329 3.936,330 1.446,331 2.761,332 1.983,333 4.204,334 2.448,335 1.475,336 1.755,337 3.821,338 1.41,339 2.5,340 1.929,341 3.703,342 2.02,343 1.019,344 1.5,345 2.497,346 1.003,347 2.359,348 1.68,349 3.414,350 2,351 1,352 1.229,353 2.275,354 1,355 1.962,356 1,357 3.399,358 1.77,359 0.846,360 0.912,361 1.692,362 0.761,363 1.698,364 0.942,365 2.864,366 1.403,367 0.522,368 0.599,369 0.865,370 0.455,371 1.351,372 0.821,373 2.783,374 1.071,375 0.118,376 0.135,377 0.264,378 0.11,379 1.07,380 0.58,381 2.48,382 0.757,383 -0.134,384 -0.151,385 -0.231,386 -0.117,387 0.842,388 0.515,389 2.204,390 0.59,391 -0.308,392 -0.335,394 -0.55,395 -0.272,396 13.733,397 0.474,398 0.826,399 0.028,400 33.75,401 1.164,402 16.5,403 0.569,404 17.25,405 0.595,406 28.669,407 0.989,408 33.067,409 0.612,410 28.1,411 0.969,412 6.524,413 0.225,414 7.236,415 0.25,416 0.255,417 0.364,419 0.892,420 1.131,421 0.895,422 1.043,423 0.829,424 0.969,425 0.666,426 1.145,427 0.88,428 1.08,429 0.529,430 1.029,431 0.844,432 1.099,433 0.907,434 1.018,435 0.907,436 1.078,437 1.047,438 1.163,439 1.014,440 1.08,441 1.089,442 1.113,443 0.837,444 1.018,445 1.007,446 0.845,447 0.973,448 1.152,449 1.047,450 1.089,451 1.149,452 1.001,453 1.207,454 1.123,455 1.345,456 1.003,457 0.929,458 0.853,459 0.914,460 0.874,461 0.978,462 0.907,463 7,464 0.206,465 4,466 2.313,467 1.916,468 1.139,469 0.936,470 0.651,471 0.308,472 0.242,473 9606,474 32890,475 1.9,476 46.3,477 4,478 13,480 5,481 1,482 2,483 1.723,484 1.723,485 3.501,486 2.46,487 1,490 86.919,491 1.61,492 3.761,493 5.217,494 5.357,495 5.357,496 2.935,497 4.254,498 4.83,499 3.649,500 1481.64,501 8.429,502 20296,504 1,505 310.764,506 1.573,507 4.748,508 7.854}
{0 CHEMBL11495,1 1.002,2 1.054,3 -0.019,4 23.967,5 0.043,6 2,7 2,8 2,9 0.047,10 0.017,11 0.913,12 1.088,13 4.278,14 2.876,15 4.876,16 2.876,17 2,18 1.59,19 10.72,20 3.208,21 10.289,22 98.128,23 7.815,24 0.462,25 3.898,26 3.997,27 3.475,28 3.478,29 5.097,30 3.432,31 4.383,32 4.521,33 3.782,34 3.843,35 5.618,36 3.764,37 4.722,38 4.917,39 3.869,40 3.983,41 5.855,42 3.875,43 4.806,44 5.025,45 3.865,46 3.944,47 5.967,48 3.83,49 4.72,50 4.936,51 3.931,52 3.923,53 6.036,54 3.822,55 4.743,56 4.934,57 3.938,58 3.934,59 6.013,60 3.828,61 4.729,62 4.935,63 3.844,64 3.83,65 6.042,66 3.716,67 4.491,68 4.699,69 3.589,70 3.686,71 5.827,72 3.559,73 0.077,74 0.6,75 9.91,76 4.691,77 18.895,78 5.505,79 0.217,80 0.958,81 17.123,82 7.687,83 49.612,84 9.533,85 0.386,86 1.265,87 26.196,88 10.185,89 72.177,90 12.792,91 0.512,92 1.337,93 32.948,94 10.778,95 105.668,96 13.238,97 0.469,98 1.237,99 28.184,100 10.301,101 108.984,102 12.937,103 0.418,104 1.258,105 30.909,106 10.729,107 90.173,108 12.197,109 0.628,110 1.183,111 34.393,112 10.659,113 124.884,114 11.842,115 0.471,116 0.952,117 23.495,118 8.533,119 93.413,120 10.362,121 30,122 34,123 0.275,124 0.613,125 0.74,126 0.847,127 0.873,128 0.873,129 3.266,130 0.99,131 -3.86,132 -3.82,133 -3.63,134 41.3,136 2,137 1,139 1,141 1,142 9,143 2,144 1,145 2,149 1,150 1,151 13,154 1,155 2,156 4,157 1,158 15,159 1,162 2,164 1,165 1,166 5,168 11,169 1,172 3,173 1,176 5,178 4,179 3,181 1,182 6,184 1,186 8,188 3,189 3,192 7,196 5,198 4,199 1,203 4,206 1,207 2,208 1,209 7,212 2,215 1,216 1,219 8,223 1,225 3,227 9,228 1,229 967,230 16.577,231 16.577,232 16.577,233 16.577,234 16.577,235 14.737,236 14.1,237 9.981,238 16.683,239 12.756,240 12.756,241 12.756,242 12.756,243 12.756,244 10.078,245 10.108,246 4.683,247 12.944,248 3.934,249 1.98,250 1.245,251 0.625,252 0.478,253 0.478,254 3.928,255 1,256 550,257 4.183,259 200.766,261 1.571,262 35.548,264 1,265 1,266 1,267 1,268 1,269 1,270 54.5,271 268,272 4.104,273 3.835,274 6.139,275 3.901,276 2.911,277 3.625,278 8.998,279 4.009,280 3.68,281 5.887,282 3.714,283 2.717,284 3.471,285 1.906,286 8.205,287 2.701,288 3.862,289 3.232,290 5.353,291 3.493,292 2.51,293 3.162,294 0.262,295 6.922,296 2.463,297 3.697,298 2.817,299 5.278,300 3.357,301 2.355,302 2.906,304 6.634,305 2.351,306 3.376,307 2.707,308 4.87,309 2.997,310 2.026,311 2.645,313 5.604,314 1.953,315 2.935,316 2.453,317 4.161,318 2.538,319 1.54,320 2.089,321 3.658,322 1.529,323 2.614,324 1.932,325 3.62,326 2.308,327 1.332,328 1.58,329 2.962,330 1.284,331 2.5,332 1.743,333 3.503,334 2,335 1,336 1.5,337 2.275,338 1,339 2.5,340 1.38,341 3.414,342 2,343 1,344 1.5,345 2.268,346 1,347 2.313,348 1,349 3.247,350 1.962,351 0.963,352 1.163,353 2.136,354 0.941,355 1.409,356 1,357 2.811,358 1.196,359 0.32,360 0.34,361 0.518,362 0.27,363 1.349,364 0.603,365 2.726,366 1.058,367 0.087,368 0.103,369 0.204,370 0.083,371 0.842,372 0.522,373 2.194,374 0.529,375 -0.411,376 -0.468,377 -0.897,378 -0.383,379 0.796,380 0.188,381 2,382 0.45,383 -0.545,384 -0.678,385 -1.255,386 -0.529,387 0.5,388 -0.011,389 1.769,390 0.044,391 -1,392 -1.125,394 -2,395 -0.918,396 12.067,397 0.483,398 0.596,399 0.024,400 30,401 1.2,402 15.5,403 0.62,404 14.5,405 0.58,406 21.675,407 0.867,408 27.533,409 0.599,410 22.346,411 0.894,412 5.81,413 0.232,414 6.18,415 0.247,416 0.18,417 0.29,419 0.82,420 1.049,421 0.895,422 0.972,423 0.759,424 0.929,425 0.468,426 1.237,427 0.943,428 1.173,429 0.49,430 1.158,431 0.876,432 1.086,433 0.932,434 1.004,435 0.926,436 1.096,437 1.202,438 1.019,439 1.033,440 0.98,441 1.217,442 0.988,443 0.748,444 0.778,445 0.903,446 0.741,447 0.887,448 1.357,449 1.088,450 1.181,451 1.355,452 1.022,453 1.517,454 1.263,455 1.585,456 0.936,457 0.877,458 0.927,459 1.014,460 0.99,461 0.893,462 1.004,463 5.5,464 0.07,465 2.444,466 1.313,467 1.453,468 0.736,469 0.651,470 0.432,471 0.218,472 0.161,473 6734,474 21538,475 1.95,476 45.7,477 2,478 12,480 4,481 1,482 2,483 1.683,484 1.807,485 3.399,486 1.736,487 1,490 73.135,491 1.59,492 3.544,493 4.898,494 5.045,495 5.045,496 2.869,497 4.164,498 4.616,499 3.526,500 1057.75,501 7.995,502 13159.9,504 1,505 254.084,506 1.469,507 4.56,508 7.602}
{0 CHEMBL11537,1 0.971,2 1.112,3 0.026,4 23.702,5 0.015,6 2,7 2,8 2,9 0.037,10 -0.05,11 0.995,12 1.012,13 4.419,14 3.051,15 5.051,16 3.051,17 2,18 1.505,19 9.227,20 3.607,21 13.011,22 90.09,23 6.883,24 0.273,25 3.881,26 4.004,27 3.342,28 3.423,29 4.953,30 3.344,31 4.423,32 4.61,33 3.628,34 3.791,35 5.5,36 3.67,37 4.761,38 4.999,39 3.783,40 3.964,41 5.741,42 3.825,43 4.859,44 5.089,45 3.904,46 4.004,47 5.965,48 3.869,49 4.897,50 5.139,51 3.853,52 4.004,53 6.109,54 3.846,55 4.825,56 5.065,57 3.793,58 3.945,59 5.918,60 3.779,61 4.759,62 4.994,63 3.691,64 3.817,65 5.954,66 3.648,67 4.586,68 4.847,69 3.239,70 3.637,71 5.613,72 3.436,73 0.044,74 0.623,75 11.569,76 5.002,77 10.791,78 6.48,79 0.231,80 0.989,81 20.617,82 8.196,83 48.98,84 10.983,85 0.336,86 1.265,87 29.241,88 10.503,89 58.853,90 14.273,91 0.384,92 1.367,93 34.716,94 10.986,95 77.625,96 14.721,97 0.597,98 1.378,99 37.367,100 11.881,101 131.932,102 15.364,103 0.372,104 1.284,105 34.848,106 11.331,107 82.049,108 14.338,109 0.479,110 1.142,111 35.322,112 10.54,113 103.49,114 12.957,115 0.34,116 0.95,117 27.523,118 8.996,119 73.528,120 11.499,121 53,122 28,123 0.264,124 0.588,125 0.775,126 0.869,127 0.879,128 0.879,129 3.146,130 1.136,131 -4.15,132 -4.09,133 -3.87,134 36.2,135 2,136 3,137 2,139 1,141 1,142 5,143 1,145 2,149 1,150 1,151 12,154 1,155 2,156 2,157 1,158 13,159 1,162 2,164 1,165 1,166 3,168 10,169 1,172 4,173 1,176 4,178 6,179 2,181 1,182 5,184 1,186 5,188 4,189 2,192 5,196 4,198 4,199 2,203 4,207 3,209 6,212 2,219 7,225 2,227 7,228 1,229 680,230 14.535,231 14.535,232 14.535,233 14.535,234 14.535,235 13.496,236 10.939,237 8.905,238 14.601,239 10.706,240 10.706,241 10.706,242 10.706,243 10.706,244 9.146,245 8.824,246 4.028,247 10.812,248 4.05,249 2.201,250 1.136,251 0.601,252 0.543,253 0.543,254 3.781,255 1,256 396,257 4.528,259 88.92,261 1.339,262 28.302,263 1,264 1,265 1,266 0.83,267 1,268 1,269 0.98,270 47.5,271 203,272 4.215,273 3.852,274 6.577,275 4.058,276 3.059,277 3.588,278 10.255,279 3.928,280 3.695,281 5.952,282 3.714,283 2.729,284 3.169,285 1.906,286 8.315,287 2.673,288 3.701,289 3.236,290 5.592,291 3.38,292 2.373,293 2.913,294 0.262,295 7.121,296 2.38,297 3.085,298 2.965,299 4.459,300 2.713,301 1.707,302 2.245,304 4.161,305 1.709,306 2.733,307 2.169,308 3.862,309 2.574,310 1.571,311 1.718,313 3.224,314 1.567,315 2.587,316 1.907,317 3.681,318 2.293,319 1.317,320 1.567,321 2.915,322 1.273,323 2.5,324 1.418,325 3.304,326 2,327 1,328 1.5,329 2.136,330 1,331 2.181,332 1.38,333 3.247,334 1.955,335 0.948,336 1.082,337 1.96,338 0.941,339 1.896,340 1,341 3.097,342 1.699,343 0.767,344 0.841,345 1.474,346 0.698,347 1.234,348 0.672,349 2.517,350 1.145,351 0.166,352 0.171,353 0.267,354 0.16,355 0.904,356 0.499,357 2.246,358 0.631,359 -0.26,360 -0.275,361 -0.415,362 -0.227,363 0.638,364 0.408,365 1.923,366 0.339,367 -0.692,368 -0.803,369 -1.443,370 -0.699,371 0.593,372 -0.075,373 1.607,374 0.244,375 -0.756,376 -0.964,377 -1.612,378 -0.756,379 0.5,380 -0.644,381 1.555,383 -1,384 -1.218,385 -2,386 -0.963,387 0.382,388 -0.887,389 1.368,391 -1,392 -1.472,394 -2.347,395 -1,396 10.733,397 0.488,398 0.494,399 0.022,400 21.25,401 0.966,402 9,403 0.409,404 12.25,405 0.557,406 23.716,407 1.078,408 25.867,409 0.55,410 14.494,411 0.659,412 3.562,413 0.162,414 6.945,415 0.316,416 0.264,417 0.28,419 0.748,420 1.25,421 0.977,422 1.145,423 0.685,424 1.12,425 0.418,426 1.253,427 0.944,428 1.171,429 0.448,430 1.172,431 0.787,432 0.997,433 0.815,434 0.905,435 0.848,436 0.967,437 1.236,438 1.087,439 0.963,440 1.002,441 1.207,442 1.014,443 1.136,444 1.089,445 0.984,446 1.132,447 0.957,448 1.336,449 0.998,450 1.118,451 1.332,452 0.987,453 1.612,454 1.264,455 1.597,456 1.014,457 1.321,458 0.904,459 1.195,460 1.012,461 1.328,462 1.003,463 4,464 0.045,465 2.667,466 1.813,467 1.151,468 0.736,469 0.51,470 0.286,471 0.152,472 0.07,473 4076,474 11455,475 1.849,476 53.2,477 11,478 8,480 3,481 1,482 2,483 1.65,484 1.692,485 3.185,486 1.024,490 70.728,491 1.505,492 3.353,493 4.953,494 5.012,495 5.012,496 2.665,497 4.005,498 4.43,499 3.306,500 763.672,501 7.637,502 8560.99,504 1,505 261.066,506 1.539,507 4.356,508 8.155}
{0 CHEMBL11607,1 0.818,2 1.082,3 -0.035,4 24.234,5 -0.002,6 2,7 2,8 1,9 0.048,10 -0.024,11 0.975,12 1.023,13 4.734,14 3.064,15 5.064,16 3.064,17 1,18 1.764,19 11.464,20 3.871,21 14.981,22 103.109,23 8.357,24 0.414,25 3.975,26 4.07,27 3.597,28 3.527,29 5.248,30 3.503,31 4.475,32 4.611,33 3.953,34 3.902,35 5.807,36 3.857,37 4.831,38 5.012,39 4.109,40 4.074,41 6.202,42 4.011,43 4.94,44 5.142,45 4.102,46 4.098,47 6.191,48 4.009,49 4.952,50 5.175,51 4.09,52 4.088,53 6.272,54 3.986,55 4.911,56 5.113,57 4.103,58 4.033,59 6.227,60 3.957,61 4.869,62 5.064,63 4.131,64 3.921,65 6.396,66 3.864,67 4.694,68 4.894,69 3.888,70 3.786,71 6.248,72 3.712,73 0.174,74 0.781,75 9.488,76 5.114,77 34.541,78 5.49,79 0.37,80 1.25,81 17.367,82 8.421,83 72.392,84 9.654,85 0.876,86 1.749,87 27.906,88 11.218,89 155.312,90 12.913,91 0.869,92 1.661,93 34.832,94 12.289,95 164.927,96 14.331,97 0.958,98 1.633,99 38.669,100 13.029,101 187.859,102 15.559,103 0.935,104 1.658,105 36.378,106 12.438,107 179.141,108 13.373,109 1.223,110 1.607,111 38.856,112 11.861,113 230.273,114 12.046,115 1.109,116 1.327,117 29.596,118 9.836,119 205.491,120 10.757,121 69,122 40,123 0.301,124 0.657,125 0.808,126 0.884,127 0.9,128 0.9,129 3.374,130 0.955,131 -4.85,132 -4.76,133 -4.46,134 40.8,135 1,136 1,137 2,139 1,141 1,142 7,143 2,144 3,145 2,149 1,150 1,151 11,154 1,155 2,156 4,157 1,158 13,159 1,162 2,164 1,165 1,166 5,168 10,169 1,172 4,173 1,176 6,178 3,179 3,181 1,182 6,184 1,186 8,188 2,189 3,192 6,196 4,198 5,199 2,203 4,206 1,207 2,208 1,209 8,212 2,215 1,216 1,219 9,223 1,225 2,227 9,229 1292,230 18.077,231 18.077,232 18.077,233 18.077,234 18.077,235 16.184,236 17.516,237 10.433,238 18.287,239 14.141,240 14.141,241 14.141,242 14.141,243 14.141,244 11.342,245 13.071,246 4.812,247 14.554,248 3.851,249 1.766,250 0.881,251 0.439,252 0.342,253 0.342,254 4.031,256 654,257 4.528,259 227.387,261 1.64,262 57.171,265 1,266 1,267 1,268 1,269 1,270 63.5,271 321,272 4.307,273 3.855,274 6.586,275 4.078,276 3.084,277 3.904,278 10.298,279 4.095,280 3.7,281 6.022,282 3.81,283 2.833,284 3.625,285 1.906,286 8.615,287 2.767,288 4.004,289 3.311,290 5.916,291 3.661,292 2.7,293 3.272,294 0.262,295 8.148,296 2.583,297 3.814,298 3.233,299 5.517,300 3.484,301 2.507,302 3.031,304 6.996,305 2.436,306 3.524,307 2.873,308 5.343,309 3.189,310 2.203,311 2.772,313 6.667,314 2.142,315 3.375,316 2.815,317 4.871,318 2.996,319 2.024,320 2.642,321 5.604,322 1.952,323 2.822,324 2.452,325 4.415,326 2.458,327 1.476,328 1.95,329 3.93,330 1.431,331 2.76,332 2.111,333 4.043,334 2.353,335 1.414,336 1.755,337 3.515,338 1.311,339 2.5,340 1.929,341 3.701,342 2.019,343 1.019,344 1.5,345 2.496,346 1.001,347 2.359,348 1.687,349 3.414,350 2,351 1,352 1.229,353 2.275,354 1,355 1.957,356 1,357 3.399,358 1.767,359 0.845,360 0.909,361 1.691,362 0.758,363 1.351,364 0.896,365 2.784,366 1.071,367 0.13,368 0.148,369 0.279,370 0.117,371 1.317,372 0.613,373 2.512,374 0.947,375 0.072,376 0.086,377 0.157,378 0.063,379 0.879,380 0.536,381 2.373,382 0.625,383 -0.255,384 -0.273,385 -0.441,386 -0.22,387 0.799,388 0.48,389 2.189,390 0.467,391 -0.525,392 -0.64,394 -1.249,395 -0.506,396 13.138,397 0.469,398 0.864,399 0.031,400 32,401 1.143,402 15.5,403 0.554,404 16.5,405 0.589,406 27.43,407 0.98,408 31.862,409 0.65,410 26.728,411 0.955,412 6.207,413 0.222,414 7.016,415 0.251,416 0.246,417 0.381,418 2,419 0.693,420 0.937,421 0.824,422 0.993,423 0.671,424 0.931,425 0.525,426 1.073,427 0.832,428 1.142,429 0.527,430 1.094,431 0.798,432 0.94,433 0.883,434 0.98,435 0.818,436 1.066,437 0.928,438 0.918,439 0.988,440 1.028,441 0.943,442 1.087,443 0.717,444 0.988,445 0.996,446 0.727,447 0.959,448 1.161,449 0.973,450 1.128,451 1.173,452 0.99,453 1.272,454 1.175,455 1.321,456 0.967,457 1.025,458 0.832,459 0.986,460 0.889,461 1.052,462 0.953,463 7,464 0.173,465 4,466 2.188,467 1.876,468 1.021,469 0.936,470 0.589,471 0.308,472 0.243,473 8761,474 34399,475 1.896,476 42.9,477 4,478 10,480 4,481 1,482 2,483 1.713,484 1.714,485 3.477,486 1.698,490 86.444,491 1.764,492 3.849,493 5.176,494 5.273,495 5.273,496 2.914,497 4.352,498 4.779,499 3.612,500 1365.16,501 8.326,502 18201.4,504 1,505 275.121,506 1.577,507 4.693,508 8.347}
{0 CHEMBL1161391,1 1.109,2 0.959,3 -0.075,4 34.481,5 -0.045,6 5,7 5,8 4,9 0.046,10 0.015,11 0.956,12 0.917,13 4.546,14 2.853,15 4.853,16 2.853,17 4,18 1.561,19 8.833,20 1.939,21 3.76,22 87.246,23 7.009,24 0.25,25 3.928,26 4.05,27 3.382,28 3.374,29 5.112,30 3.355,31 4.451,32 4.632,33 3.701,34 3.733,35 5.723,36 3.673,37 4.784,38 5.006,39 3.738,40 3.886,41 5.927,42 3.787,43 4.877,44 5.136,45 3.74,46 3.878,47 5.92,48 3.788,49 4.829,50 5.048,51 3.905,52 3.853,53 6.191,54 3.821,55 4.877,56 5.078,57 3.864,58 3.854,59 6.33,60 3.813,61 4.809,62 5.036,63 3.692,64 3.829,65 6.002,66 3.754,67 4.751,68 4.979,69 3.643,70 3.768,71 5.973,72 3.691,73 0.108,74 0.642,75 10.62,76 4.407,77 20.989,78 5.891,79 0.394,80 0.981,81 19.042,82 6.913,83 80.367,84 9.957,85 0.69,86 1.195,87 28.237,88 8.889,89 98.891,90 13.037,91 0.615,92 1.217,93 31.86,94 8.95,95 119.979,96 13.719,97 0.717,98 1.188,99 30.064,100 8.046,101 139.652,102 12.169,103 1.107,104 1.164,105 32.464,106 8.428,107 190.772,108 12.127,109 0.648,110 1.113,111 29.71,112 8.608,113 125.295,114 12.409,115 0.529,116 1.036,117 27.784,118 8.389,119 92.72,120 11.996,121 71,122 31,123 0.271,124 0.614,125 0.79,126 0.839,127 0.856,128 0.856,129 3.228,130 0.977,131 -2.56,132 -2.58,133 -2.52,134 35.4,135 2,136 2,137 1,139 1,141 2,142 5,143 1,145 3,149 2,150 2,151 10,155 3,156 2,157 2,158 11,159 1,162 2,164 3,165 3,166 4,168 5,169 1,172 3,173 1,176 6,178 1,179 3,181 1,182 6,183 1,184 1,186 8,187 2,188 1,189 2,191 1,192 6,194 3,195 2,196 6,198 2,199 3,203 4,207 6,209 5,210 1,212 5,213 2,217 2,219 6,221 1,223 2,224 1,225 4,227 7,228 3,229 958,230 15.259,231 15.259,232 15.259,233 15.259,234 15.259,235 13.988,236 12.882,237 9.346,238 15.353,239 11.845,240 11.845,241 11.845,242 11.845,243 11.845,244 9.942,245 10.742,246 4.477,247 11.984,248 4.024,249 2.054,250 1.039,251 0.756,252 0.656,253 0.656,254 3.866,255 1,256 411,257 4.848,259 99.161,261 1.292,262 39.368,264 1,265 0.83,266 0.83,267 1,268 1,269 0.95,270 54,271 212,272 4.076,273 3.821,274 6.14,275 3.891,276 2.907,277 3.472,278 9.009,279 3.901,280 3.663,281 5.871,282 3.67,283 2.68,284 3.173,285 2.375,286 8.107,287 2.644,288 3.721,289 3.591,290 5.285,291 3.382,292 2.383,293 2.911,294 1.954,295 6.708,296 2.377,297 3.524,298 2.74,299 4.66,300 3.175,301 2.174,302 2.687,303 0.509,304 5.157,305 2.147,306 3.133,307 2.349,308 4.591,309 3.046,310 2.045,311 2.142,312 0.25,313 4.882,314 2.038,315 2.933,316 2.13,317 4.148,318 2.531,319 1.533,320 2.087,321 3.687,322 1.524,323 2.595,324 1.796,325 3.59,326 2.29,327 1.315,328 1.555,329 2.975,330 1.27,331 2.5,332 1.535,333 3.404,334 2,335 1,336 1.5,337 2.142,338 1,339 2.233,340 1.123,341 3.247,342 1.919,343 0.915,344 1.077,345 2.136,346 0.9,347 1.603,348 1,349 2.895,350 1.392,351 0.423,352 0.467,353 0.98,354 0.405,355 0.941,356 0.548,357 2.599,358 0.731,359 -0.253,360 -0.274,361 -0.661,362 -0.248,363 0.893,364 0.442,365 2.114,366 0.606,367 -0.41,368 -0.486,369 -0.977,370 -0.41,371 0.5,372 0.296,373 1.851,374 0.07,375 -1,376 -1,377 -2,378 -0.919,379 0.492,380 0.032,381 1.601,382 0.045,383 -1,384 -1.072,385 -2,386 -0.927,387 0.484,388 -0.406,389 1.555,391 -1,392 -1.144,394 -2,395 -1,396 10.967,397 0.457,398 0.709,399 0.03,400 24.75,401 1.031,402 10.5,403 0.438,404 14.25,405 0.594,406 22.408,407 0.934,408 28.633,409 0.597,410 20.818,411 0.867,412 5.072,413 0.211,414 6.219,415 0.259,416 0.243,417 0.319,419 0.813,420 1.37,421 0.903,422 1.216,423 0.719,424 1.093,425 0.445,426 1.35,427 0.87,428 1.253,429 0.407,430 1.168,431 0.778,432 1.066,433 1.059,434 1.107,435 0.869,436 1.147,437 0.963,438 0.981,439 0.894,440 0.891,441 0.956,442 0.871,443 1.05,444 0.924,445 0.998,446 0.973,447 0.923,448 1.386,449 0.933,450 1.178,451 1.436,452 0.99,453 1.264,454 1.083,455 1.285,456 0.974,457 1.144,458 0.995,459 1.035,460 1.078,461 1.088,462 1.033,463 6,464 0.062,465 2.222,466 1.313,467 1.431,468 0.729,469 0.51,470 0.458,471 0.354,472 0.221,473 5194,474 17234,475 1.839,476 50,477 7,478 9,480 4,482 4,483 1.677,484 1.674,485 3.132,486 1.819,487 1,490 74.943,491 1.561,492 3.531,493 4.829,494 4.929,495 4.929,496 2.47,497 4.168,498 4.556,499 3.31,500 913.54,501 7.907,502 11283.7,504 1,505 268.078,506 1.563,507 4.475,508 5.699}
{0 CHEMBL1161396,1 1.002,2 0.925,3 0.025,4 34.59,5 -0.024,6 4,7 4,8 4,9 0.049,10 0.014,11 0.922,12 0.988,13 4.396,14 2.9,15 4.9,16 2.9,17 4,18 1.499,19 8.739,20 2.423,21 5.872,22 83.853,23 6.987,24 0.261,25 3.879,26 3.994,27 3.332,28 3.358,29 5.065,30 3.33,31 4.406,32 4.579,33 3.658,34 3.728,35 5.679,36 3.658,37 4.749,38 4.965,39 3.685,40 3.884,41 5.838,42 3.781,43 4.865,44 5.118,45 3.74,46 3.861,47 5.963,48 3.779,49 4.784,50 4.985,51 3.896,52 3.832,53 6.321,54 3.793,55 4.816,56 5.022,57 3.741,58 3.818,59 6.109,60 3.766,61 4.757,62 4.967,63 3.644,64 3.729,65 6.056,66 3.676,67 4.625,68 4.84,69 3.543,70 3.626,71 6.123,72 3.536,73 0.087,74 0.597,75 10.058,76 4.503,77 20.335,78 5.812,79 0.35,80 0.932,81 18.037,82 7.261,83 79.212,84 10.016,85 0.494,86 1.173,87 26.919,88 9.138,89 95.907,90 12.995,91 0.599,92 1.207,93 31.578,94 9.157,95 124.069,96 13.517,97 0.91,98 1.132,99 28.874,100 8.48,101 181.885,102 12.037,103 0.667,104 1.112,105 30.07,106 8.742,107 137.914,108 12.002,109 0.675,110 1.014,111 28.626,112 8.178,113 140.156,114 11.149,115 0.769,116 0.908,117 24.778,118 7.739,119 159.706,120 10.832,121 68,122 30,123 0.263,124 0.601,125 0.771,126 0.831,127 0.849,128 0.849,129 3.188,130 0.989,131 -3.32,132 -3.3,133 -3.17,134 37,135 2,136 3,137 2,141 1,142 5,143 1,145 3,149 2,150 2,151 12,152 1,154 2,155 3,156 3,157 1,158 13,159 2,162 4,164 1,165 1,166 5,168 8,169 2,172 4,173 2,176 5,177 1,178 6,179 4,181 2,182 7,184 3,185 1,186 6,188 6,189 4,192 8,196 6,198 6,199 4,200 1,203 5,204 2,207 5,208 2,209 7,211 1,212 4,215 2,216 1,219 6,225 4,227 7,228 1,229 814,230 14.552,231 14.552,232 14.552,233 14.552,234 14.552,235 13.281,236 11.989,237 8.89,238 14.591,239 11.362,240 11.362,241 11.362,242 11.362,243 11.362,244 9.469,245 9.964,246 4.256,247 11.41,248 4.025,249 2.1,250 1.128,251 0.788,252 0.685,253 0.685,254 3.823,255 1,256 390,257 4.743,259 94.171,261 1.274,262 39.573,263 1,264 1,265 1,266 0.83,267 1,268 1,269 0.98,270 51.5,271 201,272 4.088,273 3.823,274 6.153,275 3.913,276 2.917,277 3.474,278 9.066,279 3.902,280 3.683,281 5.881,282 3.684,283 2.69,284 3.185,285 2.341,286 8.144,287 2.661,288 3.746,289 3.536,290 5.287,291 3.4,292 2.396,293 2.943,294 1.906,295 6.733,296 2.4,297 3.452,298 2.726,299 4.662,300 3.088,301 2.082,302 2.606,303 0.262,304 5.079,305 2.075,306 3.133,307 2.344,308 4.589,309 3.031,310 2.024,311 2.141,313 4.855,314 2.021,315 2.926,316 1.926,317 4.012,318 2.514,319 1.513,320 2.084,321 3.453,322 1.511,323 2.5,324 1.791,325 3.583,326 2.204,327 1.216,328 1.5,329 2.874,330 1.188,331 2.484,332 1.472,333 3.345,334 2,335 1,336 1.422,337 2.136,338 1,339 2.19,340 1,341 3.247,342 1.86,343 0.835,344 1.005,345 2.007,346 0.841,347 1.138,348 0.711,349 2.673,350 0.909,351 -0.095,352 -0.108,353 -0.244,354 -0.094,355 0.896,356 0.537,357 2.481,358 0.702,359 -0.298,360 -0.322,361 -0.777,362 -0.296,363 0.681,364 0.3,365 1.968,366 0.303,367 -0.725,368 -0.853,369 -1.724,370 -0.718,371 0.5,372 0.15,373 1.723,374 0.07,375 -1,376 -1,377 -2,378 -0.925,379 0.49,380 -0.135,381 1.555,383 -1,384 -1.103,385 -2,386 -0.982,387 0.352,388 -0.515,389 1.445,391 -1,392 -1.364,394 -2,395 -1,396 10.567,397 0.459,398 0.709,399 0.031,400 23.75,401 1.033,402 10.5,403 0.457,404 13.25,405 0.576,406 21.72,407 0.944,408 27.233,409 0.592,410 19.324,411 0.84,412 4.692,413 0.204,414 6.099,415 0.265,416 0.252,417 0.331,419 0.77,420 1.274,421 0.896,422 1.19,423 0.708,424 1.086,425 0.365,426 1.288,427 0.842,428 1.248,429 0.389,430 1.17,431 0.843,432 1.169,433 1.071,434 1.158,435 0.903,436 1.167,437 1.042,438 0.918,439 0.895,440 0.85,441 1.036,442 0.831,443 0.909,444 0.915,445 0.986,446 0.887,447 0.949,448 1.5,449 1.007,450 1.161,451 1.502,452 0.993,453 1.58,454 1.166,455 1.603,456 0.947,457 0.863,458 1.031,459 0.996,460 1.092,461 0.847,462 1.082,463 6,464 0.062,465 2,466 1.438,467 1.511,468 0.674,469 0.551,470 0.45,471 0.292,472 0.11,473 4573,474 14915,475 1.832,476 50,477 9,478 6,480 3,481 3,482 2,483 1.665,484 1.663,485 3.126,486 1.032,487 1,490 68.945,491 1.499,492 3.424,493 4.735,494 4.839,495 4.839,496 2.496,497 4.089,498 4.496,499 3.277,500 829.18,501 7.781,502 9788.3,504 1,505 254.084,506 1.574,507 4.409,508 4.699}
{0 CHEMBL1161398,1 1.116,2 0.975,3 -0.118,4 33.419,5 -0.018,6 5,7 5,8 3,9 0.043,10 0.002,11 0.907,12 0.983,13 4.385,14 2.832,15 4.832,16 2.832,17 3,18 1.645,19 7.952,20 0.707,21 0.5,22 73.572,23 7.547,24 0.286,25 3.741,26 3.853,27 3.255,28 3.175,29 5.004,30 3.181,31 4.231,32 4.392,33 3.573,34 3.51,35 5.627,36 3.48,37 4.546,38 4.752,39 3.596,40 3.634,41 5.822,42 3.572,43 4.581,44 4.803,45 3.506,46 3.605,47 5.759,48 3.543,49 4.541,50 4.756,51 3.65,52 3.583,53 5.936,54 3.553,55 4.559,56 4.759,57 3.655,58 3.593,59 6.045,60 3.557,61 4.551,62 4.779,63 3.47,64 3.558,65 5.784,66 3.494,67 4.427,68 4.635,69 3.383,70 3.364,71 5.826,72 3.331,73 0.153,74 0.527,75 7.948,76 3.373,77 25.212,78 4.313,79 0.421,80 0.79,81 14.19,82 5.161,83 77.792,84 7.278,85 0.734,86 0.931,87 21.879,88 6.532,89 97.806,90 9.327,91 0.676,92 0.91,93 23.428,94 6.524,95 122.584,96 9.437,97 0.698,98 0.898,99 22.156,100 6.15,101 137.469,102 9.13,103 0.869,104 0.896,105 22.544,106 6.239,107 137.146,108 8.998,109 0.623,110 0.839,111 22.954,112 6.738,113 108.184,114 9.518,115 0.566,116 0.681,117 20.289,118 5.896,119 91.643,120 8.003,121 52,122 27,123 0.3,124 0.652,125 0.798,126 0.862,127 0.884,128 0.884,129 3.102,130 0.917,131 -1.81,132 -1.87,133 -1.88,134 35.9,135 1,136 1,139 1,141 2,142 5,143 1,145 3,149 2,150 2,151 7,155 3,156 2,157 2,158 8,159 1,162 2,164 3,165 3,166 3,168 5,172 2,173 1,176 3,178 1,179 1,181 1,182 3,183 1,184 1,186 6,187 2,188 1,189 2,191 1,192 4,194 3,195 2,196 5,198 1,199 3,203 4,207 4,209 2,210 1,212 5,213 2,217 2,219 2,221 1,223 2,224 1,225 3,227 1,228 1,229 698,230 13.397,231 13.397,232 13.397,233 13.397,234 13.397,235 12.126,236 12.882,237 8.169,238 13.499,239 10.335,240 10.335,241 10.335,242 10.335,243 10.335,244 8.425,245 10.742,246 3.902,247 10.48,248 3.64,249 1.705,250 0.9,251 0.552,252 0.43,253 0.43,254 3.735,256 323,257 4.416,259 84.089,261 1.202,262 36.018,265 1,266 1,267 1,268 1,269 1,270 48,271 167,272 4.063,273 3.812,274 6.103,275 3.866,276 2.881,277 3.472,278 8.877,279 3.868,280 3.658,281 5.707,282 3.588,283 2.601,284 3.15,285 2.375,286 7.434,287 2.555,288 3.697,289 3.591,290 5.281,291 3.368,292 2.37,293 2.881,294 1.954,295 6.65,296 2.358,297 3.523,298 2.74,299 4.659,300 3.17,301 2.168,302 2.686,303 0.509,304 5.148,305 2.143,306 2.934,307 2.158,308 4.149,309 2.532,310 1.534,311 2.088,312 0.25,313 3.688,314 1.524,315 2.608,316 1.985,317 3.585,318 2.294,319 1.318,320 1.568,321 2.974,322 1.273,323 2.5,324 1.535,325 3.305,326 2,327 1,328 1.5,329 2.136,330 1,331 2.26,332 1.123,333 3.247,334 1.911,335 0.907,336 1.086,337 2.011,338 0.89,339 1.603,340 1,341 2.891,342 1.389,343 0.418,344 0.464,345 0.966,346 0.401,347 0.941,348 0.547,349 2.389,350 0.651,351 -0.333,352 -0.379,353 -0.815,354 -0.324,355 0.761,356 0.441,357 1.954,358 0.459,359 -0.571,360 -0.682,361 -1.314,362 -0.577,363 0.5,364 0.253,365 1.601,366 0.045,367 -1,368 -1.13,369 -2,370 -0.922,371 0.485,372 0.017,373 1.555,375 -1,376 -1.272,377 -2,378 -0.961,379 0.433,380 -0.475,381 1.447,383 -1,384 -1.416,385 -2.347,386 -1,387 0.234,388 -0.901,389 1.31,390 -0.063,391 -1,392 -1.5,393 -0.172,394 -2.5,395 -1.029,396 9.467,397 0.451,398 0.603,399 0.029,400 23.25,401 1.107,402 10.5,403 0.5,404 12.75,405 0.607,406 16.319,407 0.777,408 24.733,409 0.634,410 19.062,411 0.908,412 5.084,413 0.242,414 4.812,415 0.229,416 0.229,417 0.317,419 0.838,420 1.343,421 0.843,422 1.154,423 0.735,424 1.014,425 0.469,426 1.38,427 0.843,428 1.258,429 0.434,430 1.163,431 0.854,432 0.944,433 1.071,434 1.009,435 0.927,436 1.089,437 1.126,438 1.011,439 1.089,440 0.963,441 1.121,442 1.002,443 0.857,444 0.857,445 0.987,446 0.84,447 0.923,448 0.888,449 0.966,450 1.015,451 0.908,452 1.023,453 1.058,454 0.982,455 1.052,456 0.958,457 1.258,458 1.032,459 1.01,460 1.133,461 1.253,462 1.031,463 5,464 0.025,465 2.222,466 0.938,467 1.031,468 0.618,469 0.429,470 0.427,471 0.255,472 0.091,473 3631,474 14279,475 1.842,476 46.2,478 9,480 4,482 5,483 1.639,484 1.68,485 3.002,486 1.968,489 1,490 64.159,491 1.645,492 3.58,493 4.734,494 4.856,495 4.856,496 2.439,497 3.916,498 4.362,499 3.184,500 668.632,501 7.512,502 7511.55,505 206.131,506 1.557,507 4.284,508 5.398}
{0 CHEMBL1161399,1 1.08,2 0.955,3 -0.038,4 34.556,5 -0.021,6 5,7 5,8 5,9 0.042,10 0.024,11 0.936,12 0.947,13 4.577,14 2.852,15 4.852,16 2.852,17 5,18 1.538,19 8.96,20 1.974,21 3.896,22 91.795,23 6.872,24 0.24,25 3.983,26 4.108,27 3.421,28 3.433,29 5.143,30 3.407,31 4.515,32 4.701,33 3.734,34 3.795,35 5.752,36 3.726,37 4.851,38 5.083,39 3.764,40 3.942,41 5.936,42 3.838,43 4.939,44 5.197,45 3.784,46 3.93,47 6.01,48 3.833,49 4.882,50 5.113,51 3.901,52 3.921,53 6.173,54 3.865,55 4.937,56 5.152,57 3.864,58 3.94,59 6.194,60 3.882,61 4.909,62 5.13,63 3.81,64 3.938,65 6.226,66 3.852,67 4.86,68 5.107,69 3.692,70 3.923,71 5.95,72 3.81,73 0.096,74 0.68,75 11.487,76 4.75,77 20.162,78 6.409,79 0.385,80 1.044,81 20.574,82 7.486,83 80.547,84 10.827,85 0.613,86 1.274,87 30.312,88 9.41,89 97.251,90 13.991,91 0.701,92 1.286,93 33.948,94 9.492,95 123.631,96 14.575,97 0.697,98 1.27,99 31.739,100 8.728,101 140.214,102 13.335,103 0.821,104 1.271,105 34.096,106 9.185,107 142.873,108 13.424,109 0.911,110 1.238,111 33.004,112 9.647,113 173.535,114 13.962,115 0.463,116 1.209,117 30.603,118 9.918,119 86.646,120 14.445,121 74,122 32,123 0.264,124 0.598,125 0.785,126 0.844,127 0.86,128 0.86,129 3.266,130 0.998,131 -2.8,132 -2.81,133 -2.72,134 35.3,135 2,136 3,137 1,139 1,141 2,142 5,143 1,145 3,149 2,150 2,151 10,152 1,154 1,155 3,156 4,157 1,158 11,159 1,162 2,164 2,165 2,166 4,167 1,168 5,169 1,172 3,173 1,174 1,175 1,176 6,178 2,179 2,181 1,182 6,184 1,186 8,187 1,188 2,189 2,192 6,193 1,194 1,195 1,196 6,197 1,198 4,199 2,202 1,203 3,205 2,206 1,207 5,209 8,212 5,219 8,220 1,222 2,225 5,226 2,227 9,228 3,229 1115,230 15.966,231 15.966,232 15.966,233 15.966,234 15.966,235 14.695,236 14.494,237 9.832,238 16.068,239 12.345,240 12.345,241 12.345,242 12.345,243 12.345,244 10.442,245 12.931,246 4.706,247 12.49,248 4.135,249 2.186,250 1.096,251 0.75,252 0.657,253 0.657,254 3.907,255 1,256 434,257 4.95,259 104.228,261 1.331,262 40.115,264 1,265 0.83,266 0.83,267 0.83,268 0.5,269 0.86,270 56,271 224,272 4.074,273 3.819,274 6.139,275 3.89,276 2.905,277 3.472,278 9.006,279 3.901,280 3.653,281 5.871,282 3.668,283 2.678,284 3.172,285 2.341,286 8.104,287 2.643,288 3.713,289 3.595,290 5.284,291 3.377,292 2.377,293 2.903,294 1.954,295 6.705,296 2.373,297 3.544,298 2.742,299 4.659,300 3.218,301 2.213,302 2.706,303 0.472,304 5.178,305 2.196,306 3.133,307 2.35,308 4.591,309 3.047,310 2.047,311 2.142,312 0.235,313 4.887,314 2.04,315 2.937,316 2.168,317 4.193,318 2.55,319 1.558,320 2.088,321 3.799,322 1.537,323 2.668,324 1.797,325 3.597,326 2.373,327 1.397,328 1.645,329 3.026,330 1.353,331 2.5,332 1.571,333 3.454,334 2.017,335 1.033,336 1.5,337 2.329,338 1,339 2.272,340 1.32,341 3.247,342 2,343 1,344 1.16,345 2.136,346 1,347 1.984,348 1,349 3.127,350 1.753,351 0.744,352 0.854,353 1.732,354 0.741,355 1.114,356 0.66,357 2.634,358 0.907,359 -0.075,360 -0.083,361 -0.182,362 -0.073,363 0.896,364 0.536,365 2.39,366 0.706,367 -0.288,368 -0.309,369 -0.749,370 -0.284,371 0.738,372 0.301,373 1.97,374 0.424,375 -0.583,376 -0.684,377 -1.309,378 -0.576,379 0.5,380 0.179,381 1.74,382 0.07,383 -1,384 -1,385 -2,386 -0.924,387 0.491,388 -0.07,389 1.555,391 -1,392 -1.096,394 -2,395 -0.963,396 11.467,397 0.459,398 0.709,399 0.028,400 25.25,401 1.01,402 10.5,403 0.42,404 14.75,405 0.59,406 24.265,407 0.971,408 29.933,409 0.587,410 21.132,411 0.845,412 5.096,413 0.204,414 6.694,415 0.268,416 0.233,417 0.305,419 0.807,420 1.377,421 0.921,422 1.232,423 0.713,424 1.113,425 0.441,426 1.357,427 0.891,428 1.269,429 0.402,430 1.187,431 0.843,432 1.092,433 1.056,434 1.1,435 0.882,436 1.12,437 0.98,438 0.962,439 0.921,440 0.879,441 0.997,442 0.883,443 0.987,444 0.939,445 0.98,446 0.902,447 0.936,448 1.456,449 0.99,450 1.174,451 1.482,452 0.988,453 1.133,454 1.091,455 1.187,456 1.009,457 0.88,458 0.988,459 0.972,460 1.076,461 0.827,462 1.043,463 6,464 0.153,465 2.222,466 1.438,467 1.351,468 0.674,469 0.551,470 0.427,471 0.358,472 0.274,473 5911,474 19131,475 1.845,476 51,477 7,478 9,480 4,481 2,482 4,483 1.689,484 1.685,485 3.166,486 1.776,487 1,490 78.414,491 1.538,492 3.487,493 4.922,494 5.015,495 5.015,496 2.504,497 4.244,498 4.613,499 3.373,500 1011.79,501 8.025,502 12999.7,504 1,505 289.294,506 1.55,507 4.538,508 4}
{0 CHEMBL11616,1 1.003,2 1.083,3 -0.001,4 24.259,6 2,7 2,8 2,9 0.041,10 -0.025,11 0.967,12 1.027,13 4.471,14 3.052,15 5.052,16 3.052,17 2,18 1.564,19 10.731,20 3.46,21 11.968,22 102.677,23 7.623,24 0.444,25 3.955,26 4.058,27 3.511,28 3.531,29 5.136,30 3.48,31 4.451,32 4.598,33 3.831,34 3.907,35 5.653,36 3.824,37 4.796,38 4.991,39 3.954,40 4.079,41 5.902,42 3.972,43 4.918,44 5.129,45 4.018,46 4.103,47 6.074,48 3.982,49 4.934,50 5.165,51 4.007,52 4.092,53 6.188,54 3.96,55 4.877,56 5.092,57 3.987,58 4.04,59 6.071,60 3.917,61 4.824,62 5.036,63 3.927,64 3.929,65 6.114,66 3.813,67 4.654,68 4.87,69 3.665,70 3.794,71 5.974,72 3.667,73 0.067,74 0.639,75 10.824,76 5.046,77 18.146,78 6.058,79 0.213,80 1.027,81 18.89,82 8.314,83 51.506,84 10.502,85 0.368,86 1.367,87 28.3,88 11.062,89 73.905,90 14.12,91 0.444,92 1.512,93 35.236,94 12.206,95 98.323,96 15.327,97 0.577,98 1.531,99 38.043,100 12.977,101 132.104,102 16.234,103 0.421,104 1.424,105 35.673,106 12.303,107 97.875,108 14.708,109 0.575,110 1.3,111 36.907,112 11.686,113 118.971,114 13.497,115 0.591,116 1.085,117 28.077,118 9.697,119 119.907,120 11.79,121 41,122 36,123 0.267,124 0.609,125 0.763,126 0.849,127 0.872,128 0.872,129 3.304,130 1.002,131 -4.09,132 -4.03,133 -3.82,134 40.8,135 1,136 1,137 2,139 1,141 1,142 9,143 2,144 1,145 2,149 1,150 1,151 14,154 1,155 2,156 4,157 1,158 17,159 1,162 2,164 1,165 1,166 5,168 13,169 1,172 4,173 1,176 6,178 6,179 3,181 1,182 6,184 1,186 8,188 4,189 3,192 7,196 5,198 5,199 2,203 5,206 1,207 3,208 1,209 8,212 2,215 1,216 1,219 10,223 1,225 3,227 11,228 1,229 1040,230 17.129,231 17.129,232 17.129,233 17.129,234 17.129,235 15.314,236 15.313,237 10.178,238 17.235,239 13.207,240 13.207,241 13.207,242 13.207,243 13.207,244 10.551,245 11.148,246 4.717,247 13.393,248 4.051,249 2.046,250 1.144,251 0.643,252 0.505,253 0.505,254 3.963,255 1,256 571,257 4.416,259 209.927,261 1.521,262 36.502,264 1,265 1,266 1,267 1,268 1,269 1,270 56.5,271 279,272 4.218,273 3.855,274 6.577,275 4.06,276 3.062,277 3.626,278 10.257,279 4.06,280 3.699,281 6.001,282 3.788,283 2.8,284 3.587,285 1.906,286 8.556,287 2.757,288 3.882,289 3.236,290 5.606,291 3.514,292 2.531,293 3.167,294 0.262,295 7.257,296 2.487,297 3.698,298 2.966,299 5.345,300 3.367,301 2.366,302 2.927,304 6.797,305 2.358,306 3.376,307 2.816,308 4.871,309 2.997,310 2.027,311 2.646,313 5.606,314 1.954,315 3.085,316 2.453,317 4.459,318 2.712,319 1.707,320 2.245,321 4.161,322 1.709,323 2.647,324 1.95,325 3.8,326 2.308,327 1.333,328 1.64,329 3.036,330 1.286,331 2.5,332 1.886,333 3.546,334 2,335 1,336 1.5,337 2.37,338 1,339 2.5,340 1.38,341 3.414,342 2,343 1,344 1.5,345 2.275,346 1,347 2.346,348 1,349 3.247,350 1.989,351 0.983,352 1.208,353 2.136,354 0.972,355 1.897,356 1,357 3.232,358 1.698,359 0.767,360 0.843,361 1.511,362 0.697,363 1.351,364 0.684,365 2.781,366 1.07,367 0.116,368 0.133,369 0.261,370 0.109,371 0.906,372 0.555,373 2.294,374 0.645,375 -0.237,376 -0.254,377 -0.398,378 -0.205,379 0.802,380 0.499,381 2.126,382 0.469,383 -0.523,384 -0.639,385 -1.248,386 -0.506,387 0.615,388 0.104,389 2,390 0.244,391 -0.755,392 -0.964,394 -1.612,395 -0.754,396 12.567,397 0.483,398 0.668,399 0.026,400 30.5,401 1.173,402 15.5,403 0.596,404 15,405 0.577,406 24.458,407 0.941,408 28.833,409 0.588,410 23.265,411 0.895,412 5.784,413 0.222,414 6.634,415 0.255,416 0.212,417 0.318,419 0.816,420 1.069,421 0.905,422 0.993,423 0.763,424 0.954,425 0.461,426 1.203,427 0.92,428 1.142,429 0.483,430 1.121,431 0.854,432 1.061,433 0.907,434 0.982,435 0.905,436 1.063,437 1.112,438 1.119,439 0.991,440 1.035,441 1.125,442 1.061,443 0.849,444 1.017,445 1.002,446 0.85,447 0.943,448 1.232,449 1.03,450 1.091,451 1.237,452 0.974,453 1.412,454 1.193,455 1.468,456 0.954,457 1.179,458 0.835,459 1.041,460 0.889,461 1.201,462 0.941,463 5.5,464 0.099,465 3.111,466 1.938,467 1.493,468 0.854,469 0.733,470 0.495,471 0.267,472 0.171,473 7227,474 22457,475 1.931,476 46.9,477 4,478 12,480 4,481 1,482 2,483 1.694,484 1.773,485 3.39,486 1.697,490 76.64,491 1.564,492 3.568,493 4.972,494 5.11,495 5.11,496 2.855,497 4.162,498 4.673,499 3.518,500 1143.37,501 8.115,502 14452.3,504 1,505 275.121,506 1.526,507 4.606,508 8.367}
{0 CHEMBL11620,1 0.965,2 1.256,3 0.017,4 23.108,5 0.006,6 2,7 2,8 1,9 0.039,10 -0.163,11 1.092,12 1.078,13 4.619,14 3.07,15 5.07,16 3.07,17 2,18 1.676,19 8.682,20 1.939,21 3.76,22 82.13,23 7.937,24 0.261,25 3.809,26 3.9,27 3.405,28 3.304,29 4.973,30 3.282,31 4.352,32 4.493,33 3.757,34 3.68,35 5.578,36 3.638,37 4.595,38 4.776,39 3.837,40 3.849,41 5.748,42 3.772,43 4.728,44 4.916,45 3.88,46 3.899,47 5.937,48 3.797,49 4.741,50 4.969,51 3.761,52 3.868,53 5.965,54 3.717,55 4.634,56 4.848,57 3.75,58 3.796,59 5.692,60 3.656,61 4.616,62 4.822,63 3.729,64 3.646,65 5.871,66 3.524,67 4.413,68 4.658,69 3.347,70 3.318,71 5.613,72 3.204,73 0.113,74 0.551,75 9.081,76 4.256,77 16.182,78 4.865,79 0.489,80 0.87,81 18.006,82 6.923,83 61.168,84 8.348,85 0.497,86 1.085,87 23.102,88 8.648,89 65.413,90 10.753,91 0.641,92 1.192,93 29.242,94 9.67,95 94.991,96 11.773,97 0.746,98 1.185,99 32.94,100 10.619,101 130.61,102 13.186,103 0.531,104 1.074,105 29.121,106 9.77,107 74.795,108 11.611,109 0.755,110 0.979,111 32.134,112 9.078,113 97.146,114 10.562,115 0.679,116 0.736,117 24.219,118 6.71,119 82.15,120 8.459,121 46,122 32,123 0.302,124 0.668,125 0.832,126 0.896,127 0.905,128 0.905,129 3.146,130 0.992,131 -2.65,132 -2.67,133 -2.59,134 36.6,135 2,137 2,139 1,140 1,141 1,142 3,143 1,144 2,145 2,149 1,150 1,151 6,153 1,154 3,155 2,156 2,157 1,158 7,159 1,162 6,164 1,165 1,166 2,168 6,172 6,173 1,176 2,178 3,179 1,181 1,182 6,184 1,186 3,188 1,189 1,192 4,196 2,198 2,199 2,202 1,203 2,205 1,207 2,209 2,211 1,212 2,215 1,219 1,222 1,225 1,229 646,230 14.353,231 14.353,232 14.353,233 14.353,234 14.353,235 13.341,236 17.54,237 8.249,238 14.571,239 11.202,240 11.202,241 11.202,242 11.202,243 11.202,244 9.515,245 17.972,246 3.745,247 11.545,248 3.681,249 1.649,250 0.738,251 0.378,252 0.33,253 0.33,254 3.798,255 1,256 391,257 4.301,258 57.512,259 62.355,260 99.336,261 1.409,262 33.216,264 1,265 1,266 1,267 1,268 1,269 1,270 49.5,271 191,272 4.348,273 3.847,274 6.589,275 4.087,276 3.096,277 3.952,278 10.32,279 4.086,280 3.688,281 6.177,282 3.826,283 2.866,284 3.288,285 1.906,286 9.152,287 2.74,288 3.823,289 3.324,290 5.798,291 3.611,292 2.632,293 3.012,294 1.392,295 7.712,296 2.558,297 3.552,298 3.234,299 5.522,300 3.239,301 2.24,302 2.78,303 0.532,304 6.823,305 2.221,306 2.887,307 2.895,308 4.461,309 2.502,310 1.535,311 2.025,312 0.262,313 4.272,314 1.481,315 2.781,316 2.018,317 4.332,318 2.472,319 1.508,320 1.776,321 3.92,322 1.432,323 2.312,324 1.993,325 3.65,326 2.119,327 1.137,328 1.225,329 2.537,330 1.11,331 2.195,332 1.88,333 3.417,334 1.948,335 0.941,336 1.11,337 2.154,338 0.932,339 1.948,340 1.565,341 3.204,342 1.747,343 0.814,344 0.888,345 1.597,346 0.739,347 1.577,348 0.877,349 3,350 1.311,351 0.383,352 0.445,353 0.905,354 0.351,355 0.89,356 0.625,357 2.462,358 0.659,359 -0.213,360 -0.218,361 -0.355,362 -0.182,363 0.749,364 0.497,365 2.277,366 0.447,367 -0.585,368 -0.711,369 -1.318,370 -0.592,371 0.64,372 0.168,373 2.099,374 0.272,375 -0.713,376 -0.874,377 -1.83,378 -0.696,379 0.432,380 -0.424,381 1.653,382 0.069,383 -0.924,384 -1.189,385 -2,386 -0.914,387 0.412,388 -0.585,389 1.543,391 -1,392 -1.272,394 -2.511,395 -0.961,396 10.4,397 0.473,398 0.651,399 0.03,400 23.75,401 1.08,402 10,403 0.455,404 13.75,405 0.625,406 21.446,407 0.975,408 25.6,409 0.624,410 16.741,411 0.761,412 4.34,413 0.197,414 6.095,415 0.277,416 0.272,417 0.385,419 0.83,420 1.281,421 0.863,422 1.146,423 0.715,424 1.026,425 0.722,426 1.09,427 0.869,428 1.009,429 0.511,430 0.974,431 0.838,432 1.03,433 0.866,434 0.953,435 0.907,436 1.028,437 1.105,438 1.107,439 1.045,440 1.055,441 1.263,442 1.122,443 0.738,444 1.069,445 1.026,446 0.846,447 1.013,448 0.941,449 1.043,450 1.103,451 0.901,452 1.034,453 1.069,454 1.223,455 1.033,456 1.094,457 1.085,458 0.82,459 0.867,460 0.822,461 1.152,462 0.845,463 5,464 0.091,465 3.333,466 1.757,467 1.168,468 0.712,469 0.59,470 0.318,471 0.188,472 0.127,473 4380,474 15889,475 1.919,476 46.3,477 4,478 6,479 2,480 3,481 1,482 3,483 1.648,484 1.737,485 3.134,486 1.114,487 1,489 1,490 68.736,491 1.676,492 3.708,493 4.979,494 5.028,495 5.028,496 2.534,497 4.278,498 4.432,499 3.282,500 758.12,501 7.626,502 8335.61,503 1,504 1,505 219.66,506 1.573,507 4.349,508 8.022}
{0 CHEMBL11806,1 1.012,2 1.041,3 -0.01,4 24.604,5 -0.009,6 2,7 2,8 1,9 0.045,10 -0.008,11 0.955,12 1.06,13 4.72,14 3.069,15 5.069,16 3.069,17 2,18 1.587,19 12.167,20 3.427,21 11.742,22 115.603,23 7.606,24 0.387,25 4.115,26 4.213,27 3.667,28 3.624,29 5.304,30 3.594,31 4.626,32 4.777,33 3.986,34 3.988,35 5.809,36 3.935,37 4.897,38 5.065,39 4.153,40 4.187,41 6.048,42 4.114,43 5.068,44 5.259,45 4.212,46 4.263,47 6.23,48 4.166,49 5.146,50 5.369,51 4.173,52 4.273,53 6.345,54 4.152,55 5.085,56 5.295,57 4.157,58 4.22,59 6.223,60 4.107,61 5.07,62 5.282,63 4.184,64 4.142,65 6.315,66 4.04,67 4.97,68 5.19,69 4.025,70 4.07,71 6.242,72 3.945,73 0.111,74 0.743,75 12.688,76 5.874,77 19.62,78 6.93,79 0.418,80 1.16,81 23.532,82 9.377,83 64.421,84 11.549,85 0.584,86 1.486,87 30.648,88 11.913,89 78.333,90 14.948,91 0.617,92 1.718,93 39.541,94 13.795,95 102.934,96 17.388,97 0.881,98 1.802,99 46.044,100 15.241,101 148.73,102 19.314,103 0.678,104 1.683,105 42.856,106 14.497,107 111.303,108 17.766,109 0.986,110 1.58,111 45.883,112 14.021,113 143.066,114 16.931,115 0.953,116 1.443,117 38.568,118 12.796,119 144.134,120 16.071,121 81,122 42,123 0.263,124 0.611,125 0.781,126 0.844,127 0.866,128 0.871,129 3.44,130 0.975,131 -3.53,132 -3.51,133 -3.35,134 38.6,135 1,136 1,137 2,138 2,139 1,141 1,142 7,143 2,144 3,145 2,149 1,150 1,151 11,154 3,155 2,156 4,157 1,158 13,159 1,161 1,162 6,164 1,165 1,166 5,168 10,169 1,172 7,173 1,176 6,178 3,179 3,181 1,182 9,184 1,186 8,188 2,189 3,192 8,196 4,198 5,199 2,202 1,203 4,205 1,206 1,207 2,208 1,209 8,211 1,212 2,215 2,216 1,219 9,222 1,223 1,225 2,227 9,229 1560,230 19.817,231 19.817,232 19.817,233 19.817,234 19.817,235 18.029,236 22.545,237 11.474,238 20.267,239 15.016,240 15.016,241 15.016,242 15.016,243 15.016,244 12.195,245 20.395,246 5.112,247 15.563,248 4.246,249 2.141,250 1.113,251 0.733,252 0.601,253 0.566,254 4.1,256 741,257 4.743,259 245.632,261 1.789,262 44.703,265 0.83,266 0.83,267 0.83,268 1,269 0.93,270 66.5,271 365,272 4.334,273 3.855,274 6.59,275 4.085,276 3.092,277 3.939,278 10.323,279 4.108,280 3.7,281 6.154,282 3.83,283 2.861,284 3.625,285 1.906,286 9.048,287 2.777,288 4.018,289 3.246,290 5.989,291 3.716,292 2.744,293 3.284,294 0.86,295 8.505,296 2.651,297 3.822,298 3.217,299 5.555,300 3.49,301 2.512,302 3.041,303 0.86,304 7.104,305 2.448,306 3.546,307 2.858,308 5.344,309 3.223,310 2.231,311 2.79,312 0.262,313 6.746,314 2.197,315 3.376,316 2.815,317 4.871,318 2.996,319 2.025,320 2.643,321 5.605,322 1.953,323 2.919,324 2.452,325 4.46,326 2.523,327 1.612,328 2.057,329 4.197,330 1.462,331 2.773,332 2.184,333 4.33,334 2.47,335 1.486,336 1.768,337 3.88,338 1.446,339 2.5,340 1.929,341 3.706,342 2.028,343 1.034,344 1.5,345 2.509,346 1.011,347 2.362,348 1.702,349 3.414,350 2,351 1,352 1.238,353 2.275,354 1,355 2.025,356 1.112,357 3.409,358 1.805,359 0.88,360 0.967,361 1.755,362 0.793,363 1.785,364 1,365 3.006,366 1.513,367 0.618,368 0.707,369 1.09,370 0.546,371 1.441,372 0.936,373 2.783,374 1.179,375 0.33,376 0.358,377 0.436,378 0.278,379 1.351,380 0.709,381 2.567,382 1.07,383 0.116,384 0.132,385 0.26,386 0.108,387 0.913,388 0.564,389 2.382,390 0.65,391 -0.23,392 -0.247,394 -0.383,395 -0.198,396 14.233,397 0.474,398 0.788,399 0.026,400 34.5,401 1.15,402 16.5,403 0.55,404 18,405 0.6,406 30.448,407 1.015,408 34.367,409 0.603,410 28.907,411 0.964,412 6.769,413 0.226,414 7.53,415 0.251,416 0.258,417 0.351,419 0.862,420 1.212,421 0.889,422 1.115,423 0.776,424 1.019,425 0.818,426 1.065,427 0.897,428 1.004,429 0.556,430 0.965,431 0.86,432 1.097,433 0.908,434 1.016,435 0.941,436 1.066,437 1.043,438 1.201,439 1.015,440 1.115,441 1.123,442 1.133,443 0.913,444 1.045,445 1.008,446 0.852,447 0.992,448 1.115,449 1.071,450 1.084,451 1.182,452 1.031,453 1.161,454 1.066,455 1.288,456 0.949,457 0.914,458 0.912,459 0.94,460 0.929,461 1.009,462 0.969,463 7,464 0.206,465 4,466 2.313,467 2.036,468 1.201,469 0.976,470 0.651,471 0.358,472 0.242,473 10551,474 34613,475 1.903,476 47.4,477 4,478 16,480 4,481 1,482 2,483 1.731,484 1.731,485 3.559,486 1.631,490 90.475,491 1.587,492 3.692,493 5.1,494 5.232,495 5.267,496 3.057,497 4.44,498 4.878,499 3.701,500 1610.12,501 8.525,502 22633.8,504 1,505 332.475,506 1.566,507 4.8,508 8.398}
{0 CHEMBL2051772,1 1.005,2 1.087,3 -0.001,4 24.227,5 -0.005,6 2,7 2,8 2,9 0.037,10 -0.029,11 0.97,12 1.011,13 4.179,14 3.052,15 5.052,16 3.052,17 2,18 1.518,19 10.08,20 3.727,21 13.89,22 100.983,23 7.448,24 0.462,25 3.923,26 4.033,27 3.469,28 3.524,29 5.058,30 3.46,31 4.431,32 4.585,33 3.773,34 3.896,35 5.581,36 3.798,37 4.768,38 4.975,39 3.898,40 4.063,41 5.808,42 3.94,43 4.883,44 5.097,45 3.988,46 4.083,47 6.018,48 3.957,49 4.911,50 5.141,51 3.983,52 4.08,53 6.167,54 3.944,55 4.861,56 5.085,57 3.958,58 4.031,59 6.033,60 3.898,61 4.792,62 5.009,63 3.868,64 3.913,65 6.06,66 3.783,67 4.609,68 4.837,69 3.532,70 3.773,71 5.746,72 3.621,73 0.038,74 0.624,75 10.737,76 4.957,77 12.327,78 6.163,79 0.205,80 1.01,81 18.992,82 8.224,83 48.243,84 10.608,85 0.303,86 1.346,87 27.911,88 10.966,89 60.252,90 14.284,91 0.354,92 1.482,93 34.259,94 11.968,95 81.626,96 15.113,97 0.522,98 1.515,99 37.199,100 12.813,101 124.894,102 15.934,103 0.329,104 1.422,105 35.325,106 12.342,107 84.037,108 14.886,109 0.455,110 1.285,111 35.888,112 11.557,113 105.274,114 13.34,115 0.341,116 1.058,117 26.898,118 9.632,119 78.491,120 11.731,121 30,122 34,123 0.26,124 0.58,125 0.716,126 0.792,127 0.841,128 0.862,129 3.267,130 1.025,131 -4.61,132 -4.53,133 -4.26,134 41.7,135 1,136 1,137 2,139 1,141 1,142 10,143 2,145 2,149 1,150 1,151 16,154 1,155 2,156 2,157 1,158 19,159 1,162 2,164 1,165 1,166 3,168 14,169 1,172 4,173 1,176 5,178 7,179 3,181 1,182 6,184 1,186 7,188 4,189 3,192 7,196 6,198 5,199 3,203 6,207 4,209 8,212 3,219 11,225 2,227 12,228 1,229 939,230 16.681,231 16.681,232 16.681,233 16.681,234 16.681,235 14.891,236 13.156,237 10.091,238 16.747,239 12.74,240 12.74,241 12.74,242 12.74,243 12.74,244 10.146,245 9.985,246 4.681,247 12.845,248 4.067,249 2.201,250 1.406,251 0.964,252 0.682,253 0.557,254 3.927,255 1,256 517,257 4.359,259 200.827,261 1.376,262 29.907,264 1,265 1,266 1,267 1,268 1,269 1,270 53.5,271 252,272 4.218,273 3.855,274 6.577,275 4.06,276 3.061,277 3.588,278 10.257,279 4.013,280 3.699,281 6,282 3.778,283 2.791,284 3.47,285 1.906,286 8.55,287 2.748,288 3.813,289 3.236,290 5.605,291 3.441,292 2.439,293 3.145,294 0.262,295 7.23,296 2.44,297 3.67,298 2.966,299 5.26,300 3.322,301 2.32,302 2.894,304 6.573,305 2.313,306 3.085,307 2.731,308 4.459,309 2.713,310 1.707,311 2.245,313 4.161,314 1.709,315 2.918,316 2.017,317 3.82,318 2.489,319 1.488,320 2.077,321 3.191,322 1.485,323 2.641,324 1.902,325 3.669,326 2.297,327 1.321,328 1.634,329 2.987,330 1.277,331 2.5,332 1.491,333 3.436,334 2,335 1,336 1.5,337 2.251,338 1,339 2.5,340 1.38,341 3.247,342 2,343 1,344 1.5,345 2.136,346 1,347 2.316,348 1,349 3.247,350 1.947,351 0.94,352 1.17,353 2.136,354 0.932,355 1.896,356 1,357 3.211,358 1.696,359 0.766,360 0.841,361 1.498,362 0.695,363 1.138,364 0.668,365 2.712,366 0.891,367 -0.061,368 -0.066,369 -0.131,370 -0.056,371 0.904,372 0.499,373 2.277,374 0.613,375 -0.311,376 -0.359,377 -0.585,378 -0.286,379 0.667,380 0.326,381 2.07,382 0.281,383 -0.743,384 -0.946,385 -1.612,386 -0.745,387 0.607,388 -0.128,389 1.608,390 0.244,391 -0.758,392 -0.965,394 -1.749,395 -0.761,396 12.233,397 0.489,398 0.562,399 0.022,400 29.25,401 1.17,402 15,403 0.6,404 14.25,405 0.57,406 23.379,407 0.935,408 27.367,409 0.57,410 21.416,411 0.857,412 5.544,413 0.222,414 6.48,415 0.259,416 0.191,417 0.286,419 0.736,420 1.083,421 0.908,422 1.009,423 0.683,424 0.974,425 0.431,426 1.188,427 0.952,428 1.13,429 0.479,430 1.13,431 0.823,432 1.041,433 0.89,434 0.964,435 0.898,436 1.041,437 1.229,438 1.118,439 0.985,440 1.03,441 1.216,442 1.042,443 1.017,444 1.05,445 1.003,446 0.981,447 0.943,448 1.343,449 1.017,450 1.072,451 1.313,452 0.947,453 1.659,454 1.229,455 1.632,456 0.958,457 1.481,458 0.833,459 1.088,460 0.889,461 1.478,462 0.946,463 4.5,464 0.058,465 2.667,466 1.875,467 1.302,468 0.799,469 0.653,470 0.408,471 0.227,472 0.14,473 6466,474 18422,475 1.95,476 47.9,477 4,478 13,480 3,481 1,482 2,483 1.684,484 1.807,485 3.317,486 0.926,490 72.843,491 1.518,492 3.384,493 4.621,494 4.903,495 5.028,496 2.713,497 4.054,498 4.617,499 3.44,500 1032.06,501 8.006,502 12666.1,504 1,505 268.078,506 1.469,507 4.56,508 8}
{0 CHEMBL2051773,1 0.957,2 1.248,3 0.027,4 22.832,5 0.009,6 2,7 2,8 2,9 0.036,10 -0.14,11 1.059,12 1.084,13 4.251,14 3.049,15 5.049,16 3.049,17 2,18 1.596,19 7.789,20 2.171,21 4.713,22 76.363,23 7.406,24 0.316,25 3.684,26 3.797,27 3.21,28 3.234,29 4.835,30 3.168,31 4.196,32 4.365,33 3.515,34 3.592,35 5.383,36 3.493,37 4.52,38 4.73,39 3.66,40 3.767,41 5.636,42 3.65,43 4.637,44 4.845,45 3.735,46 3.802,47 5.842,48 3.671,49 4.638,50 4.876,51 3.627,52 3.786,53 5.891,54 3.609,55 4.532,56 4.778,57 3.548,58 3.705,59 5.575,60 3.508,61 4.448,62 4.697,63 3.38,64 3.48,65 5.658,66 3.291,67 4.144,68 4.419,69 2.678,70 3.047,71 5.273,72 2.874,73 0.041,74 0.507,75 8.977,76 3.971,77 12.604,78 4.921,79 0.211,80 0.796,81 16.09,82 6.452,83 49.305,84 8.352,85 0.317,86 1.019,87 22.768,88 8.251,89 59.593,90 10.762,91 0.395,92 1.101,93 28.181,94 9.015,95 85.802,96 11.376,97 0.519,98 1.095,99 30.092,100 9.866,101 120.066,102 12.299,103 0.243,104 1.001,105 27.092,106 9.317,107 61.764,108 11.477,109 0.356,110 0.856,111 28.382,112 8.223,113 78.753,114 9.804,115 0.29,116 0.569,117 17.939,118 5.344,119 60.025,120 6.878,121 46,122 25,123 0.294,124 0.641,125 0.783,126 0.859,127 0.873,128 0.873,129 3.009,130 1.072,131 -3.4,132 -3.38,133 -3.23,134 36.8,135 2,137 2,139 1,141 1,142 5,143 1,145 2,149 1,150 1,151 9,154 1,155 2,156 2,157 1,158 11,159 1,162 2,164 1,165 1,166 2,168 9,172 3,173 1,176 2,178 6,179 1,181 1,182 3,184 1,186 3,188 3,189 1,192 3,196 3,198 2,199 2,203 3,207 3,209 2,212 2,219 2,225 2,227 1,228 1,229 465,230 12.251,231 12.251,232 12.251,233 12.251,234 12.251,235 11.212,236 10.939,237 7.252,238 12.325,239 9.23,240 9.23,241 9.23,242 9.23,243 9.23,244 7.663,245 8.824,246 3.285,247 9.341,248 3.652,249 1.77,250 0.997,251 0.586,252 0.513,253 0.513,254 3.634,255 1,256 287,257 4.183,259 73.779,261 1.274,262 25.255,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 41.5,271 148,272 4.213,273 3.847,274 6.575,275 4.055,276 3.056,277 3.588,278 10.246,279 3.897,280 3.688,281 5.815,282 3.653,283 2.669,284 3.152,285 1.906,286 7.792,287 2.612,288 3.685,289 3.236,290 5.56,291 3.366,292 2.36,293 2.889,294 0.262,295 6.945,296 2.363,297 3.085,298 2.965,299 4.459,300 2.713,301 1.707,302 2.245,304 4.16,305 1.709,306 2.644,307 2.022,308 3.774,309 2.307,310 1.332,311 1.636,313 3.015,314 1.285,315 2.5,316 1.899,317 3.389,318 2,319 1,320 1.5,321 2.136,322 1,323 2.285,324 1.38,325 3.247,326 1.937,327 0.929,328 1.127,329 2.098,330 0.919,331 1.895,332 1,333 3.134,334 1.693,335 0.764,336 0.838,337 1.46,338 0.691,339 0.906,340 0.665,341 2.342,342 0.663,343 -0.208,344 -0.214,345 -0.341,346 -0.177,347 0.752,348 0.499,349 2.162,350 0.448,351 -0.586,352 -0.712,353 -1.317,354 -0.593,355 0.611,356 0.166,357 1.608,358 0.244,359 -0.755,360 -0.964,361 -1.612,362 -0.755,363 0.5,364 -0.644,365 1.555,367 -1,368 -1.272,369 -2,370 -0.961,371 0.432,372 -0.884,373 1.379,375 -1,376 -1.5,377 -2.347,378 -1,379 -0.279,380 -0.971,381 1.309,382 -0.395,383 -1.394,384 -1.606,385 -3.568,386 -1.408,387 -0.417,388 -1,389 1,390 -0.513,391 -1.503,392 -1.668,394 -4.025,395 -1.474,396 9.233,397 0.486,398 0.532,399 0.028,400 19.75,401 1.039,402 9,403 0.474,404 10.75,405 0.566,406 18.127,407 0.954,408 21.967,409 0.578,410 13.353,411 0.703,412 3.574,413 0.188,414 5.394,415 0.284,416 0.307,417 0.325,419 0.756,420 1.204,421 0.938,422 1.089,423 0.702,424 1.053,425 0.422,426 1.207,427 0.905,428 1.12,429 0.463,430 1.108,431 0.854,432 0.992,433 0.859,434 0.916,435 0.896,436 1.007,437 1.29,438 1.071,439 1.025,440 1.013,441 1.277,442 1.064,443 0.838,444 1.105,445 1.019,446 0.866,447 0.999,448 0.828,449 1.048,450 1.077,451 0.85,452 1.032,453 1.143,454 1.284,455 1.112,456 1.034,457 1.368,458 0.763,459 0.975,460 0.81,461 1.328,462 0.863,463 4,464 0.025,465 2.667,466 1.563,467 0.911,468 0.569,469 0.388,470 0.224,471 0.103,472 0.06,473 2653,474 9030,475 1.826,476 50,477 4,478 8,480 3,481 1,482 3,483 1.607,484 1.652,485 2.988,486 1.148,487 1,489 1,490 60.653,491 1.596,492 3.478,493 4.662,494 4.735,495 4.735,496 2.465,497 3.221,498 4.22,499 3.111,500 532.044,501 7.208,502 5305.36,503 1,504 1,505 199.421,506 1.581,507 4.129,508 7.699}
{0 CHEMBL2052007,1 1.005,2 1.087,3 -0.001,4 24.227,5 -0.005,6 2,7 2,8 2,9 0.037,10 -0.029,11 0.97,12 1.011,13 4.179,14 3.052,15 5.052,16 3.052,17 2,18 1.518,19 10.08,20 3.727,21 13.89,22 100.983,23 7.448,24 0.462,25 3.923,26 4.033,27 3.469,28 3.524,29 5.058,30 3.46,31 4.431,32 4.585,33 3.773,34 3.896,35 5.581,36 3.798,37 4.768,38 4.975,39 3.898,40 4.063,41 5.808,42 3.94,43 4.883,44 5.097,45 3.988,46 4.083,47 6.018,48 3.957,49 4.911,50 5.141,51 3.983,52 4.08,53 6.167,54 3.944,55 4.861,56 5.085,57 3.958,58 4.031,59 6.033,60 3.898,61 4.792,62 5.009,63 3.868,64 3.913,65 6.06,66 3.783,67 4.609,68 4.837,69 3.532,70 3.773,71 5.746,72 3.621,73 0.038,74 0.624,75 10.737,76 4.957,77 12.327,78 6.163,79 0.205,80 1.01,81 18.992,82 8.224,83 48.243,84 10.608,85 0.303,86 1.346,87 27.911,88 10.966,89 60.252,90 14.284,91 0.354,92 1.482,93 34.259,94 11.968,95 81.626,96 15.113,97 0.522,98 1.515,99 37.199,100 12.813,101 124.894,102 15.934,103 0.329,104 1.422,105 35.325,106 12.342,107 84.037,108 14.886,109 0.455,110 1.285,111 35.888,112 11.557,113 105.274,114 13.34,115 0.341,116 1.058,117 26.898,118 9.632,119 78.491,120 11.731,121 30,122 34,123 0.26,124 0.58,125 0.716,126 0.792,127 0.841,128 0.862,129 3.267,130 1.025,131 -4.61,132 -4.53,133 -4.26,134 41.7,135 1,136 1,137 2,139 1,141 1,142 10,143 2,145 2,149 1,150 1,151 16,154 1,155 2,156 2,157 1,158 19,159 1,162 2,164 1,165 1,166 3,168 14,169 1,172 4,173 1,176 5,178 7,179 3,181 1,182 6,184 1,186 7,188 4,189 3,192 7,196 6,198 5,199 3,203 6,207 4,209 8,212 3,219 11,225 2,227 12,228 1,229 939,230 16.681,231 16.681,232 16.681,233 16.681,234 16.681,235 14.891,236 13.156,237 10.091,238 16.747,239 12.74,240 12.74,241 12.74,242 12.74,243 12.74,244 10.146,245 9.985,246 4.681,247 12.845,248 4.067,249 2.201,250 1.406,251 0.964,252 0.682,253 0.557,254 3.927,255 1,256 517,257 4.359,259 200.827,261 1.376,262 29.907,264 1,265 1,266 1,267 1,268 1,269 1,270 53.5,271 252,272 4.218,273 3.855,274 6.577,275 4.06,276 3.061,277 3.588,278 10.257,279 4.013,280 3.699,281 6,282 3.778,283 2.791,284 3.47,285 1.906,286 8.55,287 2.748,288 3.813,289 3.236,290 5.605,291 3.441,292 2.439,293 3.145,294 0.262,295 7.23,296 2.44,297 3.67,298 2.966,299 5.26,300 3.322,301 2.32,302 2.894,304 6.573,305 2.313,306 3.085,307 2.731,308 4.459,309 2.713,310 1.707,311 2.245,313 4.161,314 1.709,315 2.918,316 2.017,317 3.82,318 2.489,319 1.488,320 2.077,321 3.191,322 1.485,323 2.641,324 1.902,325 3.669,326 2.297,327 1.321,328 1.634,329 2.987,330 1.277,331 2.5,332 1.491,333 3.436,334 2,335 1,336 1.5,337 2.251,338 1,339 2.5,340 1.38,341 3.247,342 2,343 1,344 1.5,345 2.136,346 1,347 2.316,348 1,349 3.247,350 1.947,351 0.94,352 1.17,353 2.136,354 0.932,355 1.896,356 1,357 3.211,358 1.696,359 0.766,360 0.841,361 1.498,362 0.695,363 1.138,364 0.668,365 2.712,366 0.891,367 -0.061,368 -0.066,369 -0.131,370 -0.056,371 0.904,372 0.499,373 2.277,374 0.613,375 -0.311,376 -0.359,377 -0.585,378 -0.286,379 0.667,380 0.326,381 2.07,382 0.281,383 -0.743,384 -0.946,385 -1.612,386 -0.745,387 0.607,388 -0.128,389 1.608,390 0.244,391 -0.758,392 -0.965,394 -1.749,395 -0.761,396 12.233,397 0.489,398 0.562,399 0.022,400 29.25,401 1.17,402 15,403 0.6,404 14.25,405 0.57,406 23.379,407 0.935,408 27.367,409 0.57,410 21.416,411 0.857,412 5.544,413 0.222,414 6.48,415 0.259,416 0.191,417 0.286,419 0.736,420 1.083,421 0.908,422 1.009,423 0.683,424 0.974,425 0.431,426 1.188,427 0.952,428 1.13,429 0.479,430 1.13,431 0.823,432 1.041,433 0.89,434 0.964,435 0.898,436 1.041,437 1.229,438 1.118,439 0.985,440 1.03,441 1.216,442 1.042,443 1.017,444 1.05,445 1.003,446 0.981,447 0.943,448 1.343,449 1.017,450 1.072,451 1.313,452 0.947,453 1.659,454 1.229,455 1.632,456 0.958,457 1.481,458 0.833,459 1.088,460 0.889,461 1.478,462 0.946,463 4.5,464 0.058,465 2.667,466 1.875,467 1.302,468 0.799,469 0.653,470 0.408,471 0.227,472 0.14,473 6466,474 18422,475 1.95,476 47.9,477 4,478 13,480 3,481 1,482 2,483 1.684,484 1.807,485 3.317,486 0.926,490 72.843,491 1.518,492 3.384,493 4.621,494 4.903,495 5.028,496 2.713,497 4.054,498 4.617,499 3.44,500 1032.06,501 8.006,502 12666.1,504 1,505 268.078,506 1.469,507 4.56,508 7.705}
{0 CHEMBL2052008,1 0.957,2 1.248,3 0.027,4 22.832,5 0.009,6 2,7 2,8 2,9 0.036,10 -0.14,11 1.059,12 1.084,13 4.251,14 3.049,15 5.049,16 3.049,17 2,18 1.596,19 7.789,20 2.171,21 4.713,22 76.363,23 7.406,24 0.316,25 3.684,26 3.797,27 3.21,28 3.234,29 4.835,30 3.168,31 4.196,32 4.365,33 3.515,34 3.592,35 5.383,36 3.493,37 4.52,38 4.73,39 3.66,40 3.767,41 5.636,42 3.65,43 4.637,44 4.845,45 3.735,46 3.802,47 5.842,48 3.671,49 4.638,50 4.876,51 3.627,52 3.786,53 5.891,54 3.609,55 4.532,56 4.778,57 3.548,58 3.705,59 5.575,60 3.508,61 4.448,62 4.697,63 3.38,64 3.48,65 5.658,66 3.291,67 4.144,68 4.419,69 2.678,70 3.047,71 5.273,72 2.874,73 0.041,74 0.507,75 8.977,76 3.971,77 12.604,78 4.921,79 0.211,80 0.796,81 16.09,82 6.452,83 49.305,84 8.352,85 0.317,86 1.019,87 22.768,88 8.251,89 59.593,90 10.762,91 0.395,92 1.101,93 28.181,94 9.015,95 85.802,96 11.376,97 0.519,98 1.095,99 30.092,100 9.866,101 120.066,102 12.299,103 0.243,104 1.001,105 27.092,106 9.317,107 61.764,108 11.477,109 0.356,110 0.856,111 28.382,112 8.223,113 78.753,114 9.804,115 0.29,116 0.569,117 17.939,118 5.344,119 60.025,120 6.878,121 46,122 25,123 0.294,124 0.641,125 0.783,126 0.859,127 0.873,128 0.873,129 3.009,130 1.072,131 -3.4,132 -3.38,133 -3.23,134 36.8,135 2,137 2,139 1,141 1,142 5,143 1,145 2,149 1,150 1,151 9,154 1,155 2,156 2,157 1,158 11,159 1,162 2,164 1,165 1,166 2,168 9,172 3,173 1,176 2,178 6,179 1,181 1,182 3,184 1,186 3,188 3,189 1,192 3,196 3,198 2,199 2,203 3,207 3,209 2,212 2,219 2,225 2,227 1,228 1,229 465,230 12.251,231 12.251,232 12.251,233 12.251,234 12.251,235 11.212,236 10.939,237 7.252,238 12.325,239 9.23,240 9.23,241 9.23,242 9.23,243 9.23,244 7.663,245 8.824,246 3.285,247 9.341,248 3.652,249 1.77,250 0.997,251 0.586,252 0.513,253 0.513,254 3.634,255 1,256 287,257 4.183,259 73.779,261 1.274,262 25.255,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 41.5,271 148,272 4.213,273 3.847,274 6.575,275 4.055,276 3.056,277 3.588,278 10.246,279 3.897,280 3.688,281 5.815,282 3.653,283 2.669,284 3.152,285 1.906,286 7.792,287 2.612,288 3.685,289 3.236,290 5.56,291 3.366,292 2.36,293 2.889,294 0.262,295 6.945,296 2.363,297 3.085,298 2.965,299 4.459,300 2.713,301 1.707,302 2.245,304 4.16,305 1.709,306 2.644,307 2.022,308 3.774,309 2.307,310 1.332,311 1.636,313 3.015,314 1.285,315 2.5,316 1.899,317 3.389,318 2,319 1,320 1.5,321 2.136,322 1,323 2.285,324 1.38,325 3.247,326 1.937,327 0.929,328 1.127,329 2.098,330 0.919,331 1.895,332 1,333 3.134,334 1.693,335 0.764,336 0.838,337 1.46,338 0.691,339 0.906,340 0.665,341 2.342,342 0.663,343 -0.208,344 -0.214,345 -0.341,346 -0.177,347 0.752,348 0.499,349 2.162,350 0.448,351 -0.586,352 -0.712,353 -1.317,354 -0.593,355 0.611,356 0.166,357 1.608,358 0.244,359 -0.755,360 -0.964,361 -1.612,362 -0.755,363 0.5,364 -0.644,365 1.555,367 -1,368 -1.272,369 -2,370 -0.961,371 0.432,372 -0.884,373 1.379,375 -1,376 -1.5,377 -2.347,378 -1,379 -0.279,380 -0.971,381 1.309,382 -0.395,383 -1.394,384 -1.606,385 -3.568,386 -1.408,387 -0.417,388 -1,389 1,390 -0.513,391 -1.503,392 -1.668,394 -4.025,395 -1.474,396 9.233,397 0.486,398 0.532,399 0.028,400 19.75,401 1.039,402 9,403 0.474,404 10.75,405 0.566,406 18.127,407 0.954,408 21.967,409 0.578,410 13.353,411 0.703,412 3.574,413 0.188,414 5.394,415 0.284,416 0.307,417 0.325,419 0.756,420 1.204,421 0.938,422 1.089,423 0.702,424 1.053,425 0.422,426 1.207,427 0.905,428 1.12,429 0.463,430 1.108,431 0.854,432 0.992,433 0.859,434 0.916,435 0.896,436 1.007,437 1.29,438 1.071,439 1.025,440 1.013,441 1.277,442 1.064,443 0.838,444 1.105,445 1.019,446 0.866,447 0.999,448 0.828,449 1.048,450 1.077,451 0.85,452 1.032,453 1.143,454 1.284,455 1.112,456 1.034,457 1.368,458 0.763,459 0.975,460 0.81,461 1.328,462 0.863,463 4,464 0.025,465 2.667,466 1.563,467 0.911,468 0.569,469 0.388,470 0.224,471 0.103,472 0.06,473 2653,474 9030,475 1.826,476 50,477 4,478 8,480 3,481 1,482 3,483 1.607,484 1.652,485 2.988,486 1.148,487 1,489 1,490 60.653,491 1.596,492 3.478,493 4.662,494 4.735,495 4.735,496 2.465,497 3.221,498 4.22,499 3.111,500 532.044,501 7.208,502 5305.36,503 1,504 1,505 199.421,506 1.581,507 4.129,508 7.097}
{0 CHEMBL267766,1 1.095,2 1.028,3 -0.082,4 24.487,5 -0.047,6 3,7 3,8 2,9 0.041,10 0.008,11 0.929,12 1.097,13 4.584,14 3.081,15 5.081,16 3.081,17 2,18 1.54,19 10.778,20 3.916,21 15.333,22 107.278,23 7.453,24 0.429,25 4.009,26 4.116,27 3.545,28 3.581,29 5.167,30 3.526,31 4.515,32 4.668,33 3.86,34 3.959,35 5.683,36 3.87,37 4.863,38 5.068,39 3.996,40 4.137,41 5.929,42 4.025,43 4.979,44 5.19,45 4.092,46 4.189,47 6.096,48 4.07,49 5.033,50 5.256,51 4.142,52 4.23,53 6.27,54 4.095,55 5.062,56 5.291,57 4.059,58 4.192,59 6.215,60 4.043,61 4.948,62 5.18,63 3.977,64 4.036,65 6.155,66 3.903,67 4.757,68 4.978,69 3.764,70 3.897,71 6.047,72 3.768,73 0.058,74 0.679,75 11.727,76 5.399,77 17.546,78 6.605,79 0.206,80 1.095,81 20.563,82 8.933,83 52.141,84 11.452,85 0.363,86 1.454,87 30.765,88 11.877,89 74.973,90 15.423,91 0.419,92 1.611,93 37.252,94 13.039,95 97.104,96 16.628,97 0.511,98 1.707,99 40.375,100 14.428,101 127.196,102 18.293,103 0.514,104 1.713,105 45.323,106 14.921,107 118.462,108 17.994,109 0.581,110 1.462,111 41.311,112 13.196,113 124.095,114 15.901,115 0.545,116 1.205,117 30.59,118 10.764,119 115.708,120 13.418,121 46,122 37,123 0.26,124 0.604,125 0.773,126 0.853,127 0.874,128 0.874,129 3.34,130 1.024,131 -4.31,132 -4.25,133 -4.01,134 40.4,135 1,136 2,137 2,139 1,141 1,142 9,143 2,144 1,145 2,149 1,150 1,151 15,154 1,155 2,156 4,157 1,158 18,159 1,162 2,164 1,165 1,166 5,168 15,169 1,172 4,173 1,176 6,178 8,179 3,181 1,182 7,184 1,186 9,188 6,189 3,192 7,196 5,198 6,199 2,203 5,206 1,207 3,208 1,209 9,212 3,215 1,216 1,219 11,223 1,225 3,227 13,228 1,229 1157,230 17.999,231 17.999,232 17.999,233 17.999,234 17.999,235 16.184,236 15.313,237 10.713,238 18.105,239 13.654,240 13.654,241 13.654,242 13.654,243 13.654,244 11.005,245 11.148,246 4.871,247 13.84,248 4.16,249 2.117,250 1.116,251 0.644,252 0.515,253 0.515,254 4.001,255 1,256 594,257 4.528,259 219.406,261 1.506,262 37.316,265 1,266 0.83,267 1,268 1,269 0.98,270 58.5,271 291,272 4.238,273 3.857,274 6.652,275 4.087,276 3.089,277 3.626,278 10.631,279 4.062,280 3.701,281 6.007,282 3.793,283 2.806,284 3.598,285 1.906,286 8.586,287 2.761,288 3.883,289 3.237,290 5.625,291 3.517,292 2.533,293 3.167,294 0.262,295 7.301,296 2.49,297 3.698,298 2.998,299 5.345,300 3.369,301 2.367,302 2.93,304 6.799,305 2.359,306 3.376,307 2.816,308 4.871,309 2.997,310 2.027,311 2.646,313 5.607,314 1.954,315 3.124,316 2.453,317 4.539,318 2.771,319 1.765,320 2.282,321 4.376,322 1.769,323 2.659,324 1.967,325 3.878,326 2.308,327 1.333,328 1.664,329 3.058,330 1.287,331 2.5,332 1.905,333 3.546,334 2.065,335 1.071,336 1.5,337 2.46,338 1.054,339 2.5,340 1.38,341 3.414,342 2,343 1,344 1.5,345 2.275,346 1,347 2.371,348 1,349 3.388,350 2,351 1,352 1.265,353 2.136,354 1,355 2.111,356 1,357 3.247,358 1.905,359 0.931,360 1.045,361 1.903,362 0.885,363 1.351,364 0.97,365 2.785,366 1.128,367 0.217,368 0.224,369 0.33,370 0.191,371 1.247,372 0.592,373 2.466,374 1.053,375 0.08,376 0.093,377 0.159,378 0.077,379 0.849,380 0.519,381 2.279,382 0.561,383 -0.362,384 -0.398,385 -0.658,386 -0.332,387 0.798,388 0.159,389 2.123,390 0.46,391 -0.535,392 -0.659,394 -1.252,395 -0.518,396 13.067,397 0.484,398 0.63,399 0.023,400 31,401 1.148,402 15.5,403 0.574,404 15.5,405 0.574,406 26.625,407 0.986,408 30.133,409 0.579,410 23.841,411 0.883,412 5.784,413 0.214,414 7.172,415 0.266,416 0.204,417 0.306,419 0.813,420 1.087,421 0.916,422 1.013,423 0.757,424 0.977,425 0.457,426 1.216,427 0.929,428 1.155,429 0.477,430 1.137,431 0.835,432 1.024,433 0.877,434 0.95,435 0.884,436 1.018,437 1.095,438 1.097,439 0.971,440 1.016,441 1.114,442 1.036,443 0.793,444 0.984,445 1.05,446 0.789,447 1.013,448 1.269,449 1.028,450 1.259,451 1.278,452 1.008,453 1.294,454 1.109,455 1.361,456 0.919,457 1.081,458 0.9,459 0.986,460 0.936,461 1.093,462 0.96,463 5.5,464 0.107,465 3.111,466 1.938,467 1.653,468 0.882,469 0.773,470 0.557,471 0.267,472 0.171,473 7828,474 23560,475 1.933,476 48.1,477 6,478 12,480 4,481 1,482 2,483 1.705,484 1.78,485 3.385,486 1.661,490 80.088,491 1.54,492 3.584,493 5.056,494 5.186,495 5.186,496 2.844,497 4.31,498 4.727,499 3.52,500 1235.61,501 8.231,502 15984.9,504 1,505 296.423,506 1.51,507 4.664,508 6.959}
{0 CHEMBL273672,1 0.978,2 1.105,3 -0.007,4 24.325,5 0.013,6 2,7 2,8 2,9 0.046,10 -0.052,11 0.995,12 1.049,13 4.677,14 3.056,15 5.056,16 3.056,17 2,18 1.624,19 11.37,20 2.713,21 7.36,22 107.377,23 7.618,24 0.429,25 4,26 4.112,27 3.548,28 3.552,29 5.2,30 3.507,31 4.488,32 4.637,33 3.88,34 3.934,35 5.702,36 3.858,37 4.834,38 5.026,39 4.004,40 4.116,41 5.967,42 4.015,43 4.975,44 5.192,45 4.047,46 4.144,47 6.125,48 4.02,49 4.974,50 5.211,51 4.03,52 4.118,53 6.208,54 3.985,55 4.896,56 5.109,57 4.031,58 4.063,59 6.101,60 3.949,61 4.877,62 5.089,63 3.982,64 3.981,65 6.168,66 3.871,67 4.763,68 4.993,69 3.812,70 3.87,71 6.111,72 3.745,73 0.094,74 0.697,75 11.412,76 5.055,77 22.702,78 6.157,79 0.228,80 1.092,81 19.593,82 8.482,83 53.498,84 10.824,85 0.401,86 1.437,87 29.08,88 11.134,89 78.68,90 14.393,91 0.499,92 1.583,93 37.232,94 12.601,95 106.565,96 16.187,97 0.618,98 1.559,99 39.65,100 13.288,101 137.493,102 16.937,103 0.456,104 1.445,105 36.055,106 12.163,107 102.695,108 14.745,109 0.633,110 1.371,111 38.265,112 11.654,113 129.151,114 13.808,115 0.704,116 1.213,117 31.225,118 10.202,119 139.501,120 13.046,121 54,122 38,123 0.275,124 0.642,125 0.792,126 0.858,127 0.871,128 0.871,129 3.34,130 0.988,131 -3.58,132 -3.56,133 -3.39,134 39.2,135 1,136 1,137 2,139 1,141 1,142 8,143 2,144 2,145 2,146 1,147 1,148 1,149 1,150 1,151 12,154 1,155 2,156 6,157 1,158 15,159 1,160 2,162 2,164 1,165 1,166 7,168 12,169 1,170 2,172 4,173 1,176 7,178 5,179 3,180 1,181 1,182 6,184 1,186 9,188 2,189 3,190 1,192 7,196 7,198 5,199 2,201 2,203 4,206 1,207 2,208 1,209 8,212 2,214 1,215 2,216 2,218 1,219 10,223 1,225 3,227 10,229 1176,230 17.577,231 17.577,232 17.577,233 17.577,234 17.577,235 15.736,236 18.475,237 10.264,238 17.702,239 13.673,240 13.673,241 13.673,242 13.673,243 13.673,244 10.956,245 13.648,246 4.754,247 13.899,248 4.049,249 1.882,250 0.995,251 0.603,252 0.525,253 0.525,254 3.998,255 1,256 627,257 4.472,259 219.027,261 1.597,262 40.053,265 1,266 1,267 0.83,268 1,269 0.98,270 59,271 307,272 4.235,273 3.855,274 6.578,275 4.064,276 3.066,277 3.694,278 10.26,279 4.066,280 3.699,281 6.001,282 3.792,283 2.804,284 3.624,285 1.906,286 8.558,287 2.76,288 3.921,289 3.236,290 5.623,291 3.54,292 2.552,293 3.217,294 0.262,295 7.33,296 2.52,297 3.769,298 2.983,299 5.346,300 3.442,301 2.455,302 2.99,304 6.822,305 2.412,306 3.457,307 2.816,308 5.003,309 3.12,310 2.129,311 2.712,313 5.89,314 2.102,315 3.375,316 2.454,317 4.87,318 2.995,319 2.023,320 2.639,321 5.601,322 1.952,323 2.761,324 2.411,325 4.386,326 2.46,327 1.475,328 1.755,329 3.893,330 1.438,331 2.5,332 1.928,333 3.691,334 2.021,335 1.019,336 1.5,337 2.491,338 1.004,339 2.5,340 1.661,341 3.414,342 2,343 1,344 1.5,345 2.275,346 1,347 2.359,348 1,349 3.414,350 2,351 1,352 1.229,353 2.275,354 1,355 1.951,356 1,357 3.379,358 1.77,359 0.844,360 0.905,361 1.674,362 0.761,363 1.351,364 0.792,365 2.783,366 1.071,367 0.119,368 0.136,369 0.265,370 0.111,371 1.084,372 0.574,373 2.372,374 0.769,375 -0.154,376 -0.175,377 -0.276,378 -0.137,379 0.838,380 0.511,381 2.158,382 0.584,383 -0.341,384 -0.385,385 -0.678,386 -0.317,387 0.779,388 0.116,389 2,390 0.464,391 -0.529,392 -0.644,394 -1.25,395 -0.512,396 12.967,397 0.48,398 0.774,399 0.029,400 31.75,401 1.176,402 16,403 0.593,404 15.75,405 0.583,406 25.714,407 0.952,408 30.233,409 0.593,410 25.024,411 0.927,412 6.007,413 0.222,414 6.805,415 0.252,416 0.237,417 0.347,419 0.877,420 1.05,421 0.919,422 0.968,423 0.825,424 0.933,425 0.466,426 1.218,427 0.893,428 1.146,429 0.478,430 1.107,431 0.874,432 1.096,433 0.932,434 1.019,435 0.917,436 1.1,437 1.079,438 1.101,439 0.992,440 1.048,441 1.095,442 1.079,443 0.815,444 0.988,445 1.002,446 0.819,447 0.936,448 1.235,449 1.05,450 1.093,451 1.237,452 0.986,453 1.419,454 1.218,455 1.481,456 0.993,457 1.017,458 0.819,459 0.917,460 0.859,461 1.04,462 0.91,463 6.5,464 0.14,465 3.556,466 2,467 1.684,468 0.965,469 0.813,470 0.589,471 0.283,472 0.202,473 8032,474 25500,475 1.913,476 47.1,477 4,478 11,480 6,481 1,482 2,483 1.704,484 1.742,485 3.459,486 3.374,487 1,490 82.816,491 1.624,492 3.791,493 5.069,494 5.148,495 5.148,496 2.893,497 4.208,498 4.726,499 3.586,500 1258.64,501 8.22,502 16373.8,504 1,505 289.294,506 1.561,507 4.65,508 7.921}
{0 CHEMBL273724,1 0.828,2 1.082,3 -0.026,4 24.247,5 -0.002,6 2,7 2,8 2,9 0.046,10 -0.023,11 1.004,12 1.025,13 4.62,14 3.055,15 5.055,16 3.055,17 2,18 1.685,19 11.37,20 3.665,21 13.432,22 102.893,23 7.99,24 0.429,25 3.965,26 4.064,27 3.555,28 3.529,29 5.193,30 3.492,31 4.463,32 4.604,33 3.894,34 3.904,35 5.74,36 3.841,37 4.812,38 5.001,39 4.015,40 4.077,41 6.008,42 3.99,43 4.929,44 5.136,45 4.049,46 4.101,47 6.13,48 3.993,49 4.938,50 5.167,51 4.034,52 4.091,53 6.204,54 3.968,55 4.889,56 5.099,57 4.043,58 4.037,59 6.134,60 3.934,61 4.847,62 5.051,63 3.994,64 3.925,65 6.209,66 3.838,67 4.681,68 4.885,69 3.852,70 3.789,71 6.205,72 3.697,73 0.114,74 0.708,75 10.181,76 5.08,77 23.908,78 5.776,79 0.279,80 1.135,81 18.188,82 8.368,83 55.828,84 10.083,85 0.543,86 1.5,87 28.185,88 11.138,89 96.216,90 13.467,91 0.652,92 1.58,93 35.173,94 12.247,95 126.243,96 14.845,97 0.723,98 1.532,99 38.167,100 12.975,101 145.955,102 16.112,103 0.62,104 1.5,105 35.859,106 12.344,107 120.209,108 14.273,109 0.832,110 1.452,111 37.876,112 11.774,113 159.461,114 12.67,115 0.942,116 1.266,117 29.493,118 9.795,119 173.84,120 11.224,121 54,122 38,123 0.288,124 0.641,125 0.789,126 0.858,127 0.872,128 0.872,129 3.34,130 0.977,131 -4.47,132 -4.4,133 -4.14,134 40.8,135 1,136 1,137 2,139 1,141 1,142 8,143 2,144 2,145 2,149 1,150 1,151 12,154 1,155 2,156 4,157 1,158 15,159 1,162 2,164 1,165 1,166 5,168 12,169 1,172 4,173 1,176 6,178 5,179 3,181 1,182 6,184 1,186 8,188 2,189 3,192 7,196 5,198 5,199 2,203 4,206 1,207 2,208 1,209 8,212 2,215 1,216 1,219 10,223 1,225 3,227 10,229 1176,230 17.577,231 17.577,232 17.577,233 17.577,234 17.577,235 15.736,236 16.94,237 10.264,238 17.745,239 13.673,240 13.673,241 13.673,242 13.673,243 13.673,244 10.956,245 11.81,246 4.754,247 13.985,248 3.93,249 1.862,250 0.995,251 0.587,252 0.505,253 0.505,254 3.998,256 627,257 4.472,259 219.027,261 1.597,262 46.43,265 1,266 1,267 1,268 1,269 1,270 60,271 307,272 4.235,273 3.855,274 6.578,275 4.063,276 3.066,277 3.694,278 10.26,279 4.066,280 3.699,281 6.001,282 3.791,283 2.804,284 3.624,285 1.906,286 8.558,287 2.759,288 3.921,289 3.236,290 5.623,291 3.535,292 2.552,293 3.217,294 0.262,295 7.33,296 2.505,297 3.769,298 3.031,299 5.346,300 3.433,301 2.455,302 2.99,304 6.822,305 2.395,306 3.457,307 2.817,308 5.003,309 3.094,310 2.129,311 2.712,313 5.89,314 2.028,315 3.375,316 2.776,317 4.87,318 2.995,319 2.023,320 2.639,321 5.601,322 1.951,323 2.761,324 2.452,325 4.386,326 2.455,327 1.475,328 1.755,329 3.893,330 1.425,331 2.5,332 1.93,333 3.691,334 2.019,335 1.019,336 1.5,337 2.491,338 1.001,339 2.5,340 1.714,341 3.414,342 2,343 1,344 1.5,345 2.275,346 1,347 2.359,348 1,349 3.414,350 2,351 1,352 1.229,353 2.275,354 1,355 1.951,356 1,357 3.379,358 1.765,359 0.844,360 0.905,361 1.674,362 0.756,363 1.351,364 0.871,365 2.783,366 1.071,367 0.119,368 0.136,369 0.265,370 0.111,371 1.084,372 0.585,373 2.372,374 0.733,375 -0.154,376 -0.175,377 -0.276,378 -0.132,379 0.838,380 0.517,381 2.158,382 0.566,383 -0.341,384 -0.385,385 -0.678,386 -0.301,387 0.779,388 0.242,389 2,390 0.463,391 -0.529,392 -0.644,394 -1.25,395 -0.511,396 12.852,397 0.476,398 0.774,399 0.029,400 31.25,401 1.157,402 15.5,403 0.574,404 15.75,405 0.583,406 25.839,407 0.957,408 30.348,409 0.619,410 24.899,411 0.922,412 5.988,413 0.222,414 6.824,415 0.253,416 0.23,417 0.35,418 1,419 0.733,420 0.985,421 0.861,422 0.993,423 0.702,424 0.942,425 0.498,426 1.119,427 0.872,428 1.142,429 0.498,430 1.107,431 0.886,432 1.015,433 0.92,434 0.981,435 0.91,436 1.069,437 0.996,438 0.975,439 1.001,440 1.03,441 1.012,442 1.082,443 0.673,444 0.978,445 0.997,446 0.689,447 0.952,448 1.077,449 0.948,450 1.069,451 1.089,452 0.974,453 1.437,454 1.249,455 1.488,456 0.968,457 1.046,458 0.867,459 0.957,460 0.892,461 1.073,462 0.935,463 6.5,464 0.14,465 3.556,466 2,467 1.684,468 0.965,469 0.813,470 0.589,471 0.283,472 0.202,473 8032,474 28636,475 1.913,476 44.9,477 4,478 11,480 4,481 1,482 2,483 1.704,484 1.742,485 3.459,486 1.698,490 82.575,491 1.685,492 3.753,493 5.028,494 5.11,495 5.11,496 2.893,497 4.208,498 4.726,499 3.586,500 1258.64,501 8.22,502 16373.8,504 1,505 275.121,506 1.561,507 4.65,508 8.161}
{0 CHEMBL273748,1 0.995,2 1.044,3 -0.011,4 22.291,5 -0.025,6 2,7 2,8 2,9 0.036,10 -0.041,11 0.954,12 1.101,13 4.297,14 3.042,15 5.042,16 3.042,17 2,18 1.634,19 7.722,20 1.794,21 3.217,22 71.945,23 7.639,24 0.333,25 3.609,26 3.718,27 3.162,28 3.162,29 4.784,30 3.102,31 4.107,32 4.268,33 3.443,34 3.511,35 5.338,36 3.414,37 4.417,38 4.62,39 3.551,40 3.677,41 5.524,42 3.552,43 4.5,44 4.71,45 3.656,46 3.714,47 5.666,48 3.575,49 4.543,50 4.782,51 3.558,52 3.702,53 5.804,54 3.518,55 4.435,56 4.688,57 3.391,58 3.554,59 5.496,60 3.356,61 4.225,62 4.469,63 3.258,64 3.211,65 5.521,66 3.067,67 3.84,68 4.081,69 2.484,70 2.729,71 5.11,72 2.598,73 0.05,74 0.468,75 8.088,76 3.628,77 13.161,78 4.391,79 0.223,80 0.728,81 14.505,82 5.877,83 46.57,84 7.456,85 0.341,86 0.913,87 20.552,88 7.662,89 64.66,90 9.739,91 0.316,92 1,93 24.405,94 8.167,95 67.511,96 10.299,97 0.478,98 1.014,99 27.761,100 9.2,101 106.531,102 11.406,103 0.28,104 0.893,105 25.868,106 8.435,107 63.352,108 10.255,109 0.348,110 0.664,111 21.883,112 6.137,113 72.8,114 7.268,115 0.274,116 0.413,117 13.779,118 3.861,119 53.836,120 4.602,121 35,122 23,123 0.307,124 0.665,125 0.807,126 0.859,127 0.874,128 0.874,129 2.959,130 1.057,131 -3.14,132 -3.13,133 -3.01,134 37.1,135 1,137 2,139 2,142 5,143 1,145 2,149 1,150 1,151 9,154 1,155 2,156 1,157 1,158 11,162 1,164 1,165 1,166 1,168 9,172 2,173 1,176 2,178 5,179 1,181 1,182 3,184 1,186 3,188 2,189 1,192 3,196 3,199 2,203 3,207 3,212 2,225 2,228 1,229 412,230 11.751,231 11.751,232 11.751,233 11.751,234 11.751,235 10.687,236 9.977,237 7.122,238 11.818,239 8.772,240 8.772,241 8.772,242 8.772,243 8.772,244 7.167,245 7.395,246 3.261,247 8.87,248 3.496,249 1.593,250 0.832,251 0.557,252 0.479,253 0.479,254 3.584,255 1,256 270,257 3.937,259 68.906,261 1.278,262 23.576,264 1,265 1,266 1,267 1,268 1,269 1,270 39.5,271 139,272 4.205,273 3.813,274 6.57,275 4.045,276 3.045,277 3.587,278 10.221,279 3.796,280 3.594,281 5.639,282 3.462,283 2.462,284 3.085,285 1.906,286 7.31,287 2.454,288 3.521,289 3.235,290 4.702,291 3.176,292 2.177,293 2.685,294 0.262,295 5.212,296 2.146,297 3.084,298 2.965,299 4.386,300 2.712,301 1.707,302 2.245,304 4.087,305 1.709,306 2.62,307 1.913,308 3.71,309 2.281,310 1.307,311 1.609,313 2.941,314 1.262,315 2.5,316 1.438,317 3.255,318 2,319 1,320 1.5,321 2.136,322 1,323 1.908,324 1.38,325 3.247,326 1.718,327 0.776,328 0.859,329 1.605,330 0.717,331 1.701,332 1,333 2.693,334 1.384,335 0.423,336 0.48,337 0.812,338 0.393,339 0.904,340 0.646,341 2.255,342 0.615,343 -0.289,344 -0.317,345 -0.471,346 -0.253,347 0.621,348 0.499,349 1.873,350 0.244,351 -0.755,352 -0.964,353 -1.612,354 -0.754,355 0.537,356 -0.124,357 1.555,358 0.086,359 -1,360 -1.124,361 -2,362 -0.917,363 0.5,364 -0.645,365 1.428,367 -1,368 -1.5,369 -2.347,370 -1,371 0.178,372 -0.89,373 1.322,374 -0.07,375 -1,376 -1.5,377 -2.497,378 -1.076,379 -0.396,380 -1,381 1,382 -0.498,383 -1.499,384 -1.606,385 -4.007,386 -1.474,387 -0.5,388 -1.346,389 1,390 -0.622,391 -1.591,392 -1.875,393 -0.572,394 -4.122,395 -1.588,396 8.733,397 0.485,398 0.442,399 0.025,400 19.25,401 1.069,402 9,403 0.5,404 10.25,405 0.569,406 15.765,407 0.876,408 20.667,409 0.59,410 12.677,411 0.704,412 3.61,413 0.201,414 4.947,415 0.275,416 0.267,417 0.286,419 0.76,420 1.185,421 0.925,422 1.066,423 0.694,424 1.025,425 0.443,426 1.164,427 0.938,428 1.122,429 0.47,430 1.128,431 0.853,432 0.963,433 0.876,434 0.897,435 0.955,436 1.02,437 0.967,438 1.117,439 0.974,440 1.058,441 0.966,442 1.091,443 0.659,444 1.086,445 1.061,446 0.655,447 1.027,448 0.853,449 1.031,450 1.127,451 0.882,452 1.006,453 1.311,454 1.047,455 1.261,456 0.913,457 1.786,458 0.815,459 1.182,460 0.895,461 1.725,462 0.931,463 3.5,464 0.025,465 2.222,466 1.438,467 0.831,468 0.458,469 0.306,470 0.161,471 0.082,472 0.044,473 2336,474 8491,475 1.846,476 48.6,477 4,478 9,480 3,481 1,483 1.59,484 1.688,485 2.965,486 1.197,488 1,489 1,490 57.177,491 1.634,492 3.536,493 4.572,494 4.651,495 4.651,496 2.468,497 3.684,498 4.139,499 3.099,500 474.106,501 7.044,502 4557.3,503 1,504 1,505 179.525,506 1.547,507 4.065,508 7.495}
{0 CHEMBL273853,1 1.016,2 1.105,3 -0.018,4 24.414,5 -0.011,6 2,7 2,8 2,9 0.044,10 -0.041,11 0.995,12 1.006,13 4.643,14 3.056,15 5.056,16 3.056,17 2,18 1.578,19 12,20 3.443,21 11.855,22 109.14,23 7.614,24 0.414,25 4.039,26 4.138,27 3.592,28 3.579,29 5.223,30 3.538,31 4.542,32 4.691,33 3.911,34 3.948,35 5.736,36 3.881,37 4.847,38 5.029,39 4.045,40 4.135,41 5.972,42 4.044,43 4.993,44 5.196,45 4.09,46 4.185,47 6.147,48 4.068,49 5.031,50 5.27,51 4.06,52 4.172,53 6.242,54 4.033,55 4.953,56 5.171,57 4.056,58 4.095,59 6.121,60 3.979,61 4.886,62 5.08,63 4.026,64 4.001,65 6.169,66 3.906,67 4.798,68 5.003,69 3.884,70 3.93,71 6.123,72 3.815,73 0.087,74 0.692,75 11.755,76 5.469,77 18.873,78 6.497,79 0.311,80 1.097,81 21.213,82 8.872,83 57.988,84 11.031,85 0.444,86 1.425,87 29.46,88 11.476,89 75.756,90 14.485,91 0.534,92 1.613,93 37.345,94 13.014,95 100.591,96 16.447,97 0.657,98 1.657,99 41.656,100 14.143,101 137.59,102 18.135,103 0.525,104 1.5,105 38.421,106 12.975,107 103.494,108 15.76,109 0.696,110 1.355,111 38.416,112 11.987,113 123.321,114 13.737,115 0.816,116 1.231,117 31.913,118 10.878,119 131.465,120 13.423,121 59,122 39,123 0.265,124 0.619,125 0.78,126 0.843,127 0.868,128 0.868,129 3.374,130 0.987,131 -3.81,132 -3.77,133 -3.58,134 39.6,135 1,136 1,137 2,138 1,139 1,141 1,142 8,143 2,144 2,145 2,149 1,150 1,151 12,154 3,155 2,156 4,157 1,158 15,159 1,162 4,164 1,165 1,166 5,168 12,169 1,172 5,173 1,176 6,178 5,179 3,181 1,182 7,184 1,186 8,188 2,189 3,192 9,196 5,198 5,199 2,203 4,206 1,207 2,208 1,209 8,211 1,212 2,215 2,216 1,219 10,223 1,225 3,227 10,229 1324,230 18.447,231 18.447,232 18.447,233 18.447,234 18.447,235 16.659,236 19.626,237 10.762,238 18.732,239 14.101,240 14.101,241 14.101,242 14.101,243 14.101,244 11.378,245 15.799,246 4.893,247 14.478,248 4.15,249 2.04,250 1.085,251 0.708,252 0.557,253 0.557,254 4.034,256 685,257 4.583,259 228.497,261 1.714,262 40.275,265 1,266 0.83,267 1,268 1,269 0.98,270 61.5,271 336,272 4.238,273 3.855,274 6.578,275 4.064,276 3.066,277 3.707,278 10.261,279 4.068,280 3.699,281 6.001,282 3.792,283 2.806,284 3.624,285 1.906,286 8.56,287 2.76,288 3.934,289 3.236,290 5.635,291 3.551,292 2.571,293 3.227,294 0.86,295 7.412,296 2.519,297 3.784,298 3.012,299 5.348,300 3.456,301 2.482,302 3.003,303 0.262,304 6.866,305 2.412,306 3.499,307 2.816,308 5.253,309 3.163,310 2.189,311 2.745,313 6.485,314 2.113,315 3.375,316 2.734,317 4.871,318 2.996,319 2.024,320 2.642,321 5.604,322 1.952,323 2.774,324 2.452,325 4.407,326 2.475,327 1.493,328 1.769,329 3.935,330 1.448,331 2.5,332 1.93,333 3.702,334 2.029,335 1.035,336 1.5,337 2.507,338 1.011,339 2.5,340 1.735,341 3.414,342 2,343 1,344 1.5,345 2.275,346 1,347 2.362,348 1.139,349 3.414,350 2,351 1,352 1.236,353 2.275,354 1,355 1.987,356 1,357 3.398,358 1.795,359 0.873,360 0.939,361 1.724,362 0.784,363 1.589,364 1,365 2.788,366 1.325,367 0.456,368 0.503,369 0.68,370 0.391,371 1.351,372 0.708,373 2.707,374 1.07,375 0.116,376 0.132,377 0.26,378 0.108,379 0.912,380 0.564,381 2.277,382 0.65,383 -0.231,384 -0.248,385 -0.383,386 -0.199,387 0.805,388 0.506,389 2.122,390 0.472,391 -0.516,392 -0.63,394 -1.108,395 -0.497,396 13.4,397 0.479,398 0.736,399 0.026,400 32.5,401 1.161,402 16,403 0.571,404 16.5,405 0.589,406 27.202,407 0.972,408 31.6,409 0.596,410 25.912,411 0.925,412 6.269,413 0.224,414 7.081,415 0.253,416 0.236,417 0.336,419 0.842,420 1.144,421 0.896,422 1.057,423 0.771,424 0.988,425 0.669,426 1.129,427 0.908,428 1.069,429 0.517,430 1.038,431 0.902,432 1.079,433 0.927,434 1,435 0.934,436 1.071,437 1.047,438 1.161,439 1.023,440 1.081,441 1.128,442 1.121,443 0.721,444 0.982,445 1.014,446 0.817,447 0.964,448 1.131,449 1.011,450 1.047,451 1.216,452 0.943,453 1.466,454 1.24,455 1.527,456 0.988,457 0.993,458 0.898,459 0.964,460 0.937,461 1.07,462 0.993,463 6.5,464 0.14,465 3.556,466 2,467 1.724,468 1.028,469 0.854,470 0.589,471 0.333,472 0.202,473 8949,474 28735,475 1.916,476 47.2,477 4,478 14,480 4,481 1,482 2,483 1.713,484 1.75,485 3.525,486 1.662,490 83.635,491 1.578,492 3.688,493 5.02,494 5.171,495 5.171,496 3.04,497 4.209,498 4.777,499 3.66,500 1383.62,501 8.32,502 18554.1,504 1,505 303.58,506 1.55,507 4.706,508 8.444}
{0 CHEMBL273898,1 0.981,2 1.114,3 0.04,4 23.749,5 -0.015,6 2,7 2,8 2,9 0.041,10 -0.035,11 0.988,12 0.972,13 4.387,14 3.052,15 5.052,16 3.052,17 2,18 1.505,19 8.682,20 3.403,21 11.578,22 90.037,23 6.883,24 0.273,25 3.881,26 4.004,27 3.342,28 3.423,29 4.962,30 3.344,31 4.424,32 4.611,33 3.65,34 3.8,35 5.504,36 3.683,37 4.763,38 4.989,39 3.793,40 3.991,41 5.762,42 3.85,43 4.919,44 5.166,45 3.925,46 4.031,47 5.991,48 3.889,49 4.902,50 5.139,51 3.887,52 4.012,53 6.158,54 3.865,55 4.858,56 5.092,57 3.774,58 3.946,59 5.993,60 3.779,61 4.726,62 4.965,63 3.675,64 3.813,65 5.889,66 3.639,67 4.578,68 4.835,69 3.333,70 3.691,71 5.587,72 3.483,73 0.044,74 0.623,75 11.569,76 5.002,77 11.469,78 6.48,79 0.233,80 0.991,81 20.621,82 8.205,83 50.595,84 10.99,85 0.32,86 1.289,87 29.059,88 10.655,89 58.252,90 14.441,91 0.404,92 1.427,93 36.861,94 11.575,95 85.278,96 15.661,97 0.591,98 1.398,99 37.462,100 11.725,101 130.625,102 15.218,103 0.468,104 1.28,105 36.252,106 11.592,107 103.862,108 14.409,109 0.442,110 1.125,111 34.229,112 10.41,113 98.759,114 12.858,115 0.278,116 0.98,117 26.845,118 9.279,119 63.3,120 11.884,121 65,122 29,123 0.264,124 0.596,125 0.77,126 0.836,127 0.847,128 0.847,129 3.146,130 1.116,131 -4.15,132 -4.09,133 -3.87,134 36.2,135 3,136 1,137 3,139 1,141 1,142 5,143 1,145 2,149 1,150 1,151 12,154 1,155 2,156 2,157 1,158 14,159 1,162 2,164 1,165 1,166 3,168 9,169 1,172 4,173 1,176 5,178 6,179 3,181 1,182 6,184 1,186 5,188 4,189 1,192 5,196 3,198 5,199 2,203 3,207 3,209 6,212 2,219 8,225 2,227 7,228 1,229 664,230 14.113,231 14.113,232 14.113,233 14.113,234 14.113,235 13.073,236 10.939,237 8.429,238 14.178,239 10.74,240 10.74,241 10.74,242 10.74,243 10.74,244 9.18,245 8.824,246 3.859,247 10.845,248 4.05,249 2.159,250 1.168,251 0.788,252 0.729,253 0.729,254 3.777,255 1,256 371,257 4.637,259 88.851,261 1.347,262 28.434,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 47.5,271 191,272 4.216,273 3.853,274 6.577,275 4.059,276 3.061,277 3.588,278 10.256,279 3.941,280 3.696,281 5.98,282 3.746,283 2.761,284 3.174,285 1.906,286 8.435,287 2.709,288 3.708,289 3.236,290 5.597,291 3.391,292 2.385,293 2.921,294 0.262,295 7.152,296 2.393,297 3.134,298 2.965,299 4.593,300 3.049,301 2.048,302 2.245,304 4.893,305 2.041,306 3.083,307 2.342,308 4.459,309 2.712,310 1.707,311 2.14,313 4.16,314 1.709,315 2.635,316 1.915,317 3.779,318 2.303,319 1.328,320 1.628,321 3.018,322 1.282,323 2.5,324 1.796,325 3.446,326 2,327 1,328 1.5,329 2.207,330 1,331 2.254,332 1.38,333 3.247,334 1.943,335 0.935,336 1.112,337 2.136,338 0.926,339 1.895,340 1,341 3.189,342 1.695,343 0.765,344 0.839,345 1.486,346 0.693,347 0.915,348 0.666,349 2.547,350 0.76,351 -0.146,352 -0.148,353 -0.268,354 -0.128,355 0.879,356 0.499,357 2.247,358 0.578,359 -0.403,360 -0.463,361 -0.895,362 -0.392,363 0.616,364 0.23,365 1.923,366 0.244,367 -0.755,368 -0.964,369 -1.612,370 -0.754,371 0.5,372 -0.494,373 1.607,374 0.069,375 -1,376 -1,377 -2,378 -0.925,379 0.489,380 -0.646,381 1.555,383 -1,384 -1.1,385 -2,386 -1,387 0.122,388 -0.89,389 1.368,391 -1,392 -1.419,394 -2.347,395 -1,396 10.733,397 0.488,398 0.638,399 0.029,400 21.25,401 0.966,402 9,403 0.409,404 12.25,405 0.557,406 24.388,407 1.109,408 25.867,409 0.55,410 14.661,411 0.666,412 3.562,413 0.162,414 6.801,415 0.309,416 0.311,417 0.326,419 0.748,420 1.25,421 0.977,422 1.145,423 0.699,424 1.12,425 0.414,426 1.207,427 0.915,428 1.129,429 0.443,430 1.122,431 0.796,432 1.094,433 0.879,434 0.995,435 0.865,436 1.075,437 1.144,438 1.026,439 0.877,440 0.926,441 1.124,442 0.926,443 1.169,444 1.108,445 1.007,446 1.097,447 0.977,448 1.635,449 0.952,450 1.177,451 1.662,452 0.982,453 1.462,454 1.244,455 1.494,456 1.005,457 1.084,458 0.966,459 1.129,460 1.046,461 1.043,462 1.054,463 5,464 0.062,465 2.667,466 1.938,467 1.311,468 0.681,469 0.51,470 0.349,471 0.152,472 0.11,473 3996,474 11319,475 1.825,476 53.2,477 11,478 8,480 3,481 1,482 2,483 1.65,484 1.65,485 3.123,486 1.024,490 70.728,491 1.505,492 3.396,493 4.767,494 4.826,495 4.826,496 2.534,497 3.914,498 4.432,499 3.26,500 753.128,501 7.641,502 8420.83,504 1,505 261.066,506 1.582,507 4.339,508 7.721}
{0 CHEMBL275690,1 0.958,2 1.161,3 0.04,4 23.497,5 0.002,6 2,7 2,8 2,9 0.038,10 -0.07,11 1.027,12 1.001,13 4.417,14 3.051,15 5.051,16 3.051,17 2,18 1.532,19 8.571,20 3.151,21 9.928,22 85.489,23 7.033,24 0.286,25 3.819,26 3.94,27 3.3,28 3.364,29 4.916,30 3.289,31 4.353,32 4.535,33 3.592,34 3.729,35 5.461,36 3.614,37 4.687,38 4.917,39 3.751,40 3.904,41 5.7,42 3.772,43 4.792,44 5.014,45 3.876,46 3.946,47 5.936,48 3.819,49 4.833,50 5.068,51 3.801,52 3.943,53 6.093,54 3.787,55 4.75,56 4.988,57 3.699,58 3.871,59 5.844,60 3.694,61 4.639,62 4.879,63 3.609,64 3.731,65 5.801,66 3.55,67 4.485,68 4.75,69 3.135,70 3.538,71 5.509,72 3.326,73 0.039,74 0.584,75 10.716,76 4.658,77 11.474,78 5.964,79 0.218,80 0.925,81 19.139,82 7.618,83 49.264,84 10.117,85 0.32,86 1.185,87 27.178,88 9.757,89 59.891,90 13.129,91 0.371,92 1.288,93 32.609,94 10.266,95 79.346,96 13.566,97 0.591,98 1.296,99 35.456,100 11.198,101 132.777,102 14.259,103 0.376,104 1.182,105 32.852,106 10.799,107 87.912,108 13.386,109 0.386,110 1.044,111 31.961,112 9.757,113 87.809,114 11.945,115 0.286,116 0.869,117 25.391,118 8.336,119 63.693,120 10.611,121 52,122 27,123 0.273,124 0.609,125 0.787,126 0.866,127 0.877,128 0.877,129 3.102,130 1.119,131 -3.91,132 -3.86,133 -3.66,134 36.4,135 2,136 2,137 2,139 1,141 1,142 5,143 1,145 2,149 1,150 1,151 11,154 1,155 2,156 2,157 1,158 12,159 1,162 2,164 1,165 1,166 3,168 9,169 1,172 4,173 1,176 4,178 6,179 2,181 1,182 5,184 1,186 4,188 4,189 1,192 4,196 3,198 4,199 2,203 3,207 3,209 5,212 2,219 6,225 2,227 5,228 1,229 600,230 13.828,231 13.828,232 13.828,233 13.828,234 13.828,235 12.789,236 10.939,237 8.381,238 13.894,239 10.206,240 10.206,241 10.206,242 10.206,243 10.206,244 8.646,245 8.824,246 3.733,247 10.312,248 3.927,249 2.041,250 1.043,251 0.597,252 0.534,253 0.534,254 3.734,255 1,256 350,257 4.416,259 83.799,261 1.306,262 27.598,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 45.5,271 180,272 4.215,273 3.852,274 6.577,275 4.058,276 3.059,277 3.588,278 10.255,279 3.928,280 3.695,281 5.952,282 3.712,283 2.728,284 3.169,285 1.906,286 8.31,287 2.671,288 3.7,289 3.236,290 5.592,291 3.379,292 2.373,293 2.912,294 0.262,295 7.12,296 2.379,297 3.085,298 2.965,299 4.459,300 2.713,301 1.707,302 2.245,304 4.161,305 1.709,306 2.694,307 2.158,308 3.837,309 2.428,310 1.429,311 1.68,313 3.101,314 1.413,315 2.533,316 1.906,317 3.635,318 2.255,319 1.272,320 1.5,321 2.735,322 1.24,323 2.5,324 1.38,325 3.258,326 2,327 1,328 1.48,329 2.136,330 1,331 1.923,332 1.117,333 3.247,334 1.754,335 0.785,336 0.871,337 1.609,338 0.75,339 1.864,340 1,341 2.886,342 1.657,343 0.698,344 0.763,345 1.191,346 0.652,347 0.907,348 0.658,349 2.308,350 0.694,351 -0.193,352 -0.196,353 -0.311,354 -0.167,355 0.795,356 0.499,357 2.14,358 0.545,359 -0.461,360 -0.525,361 -0.795,362 -0.458,363 0.614,364 0.144,365 1.61,366 0.244,367 -0.755,368 -0.964,369 -1.612,370 -0.754,371 0.5,372 -0.579,373 1.57,374 0.065,375 -1,376 -1.094,377 -2,378 -0.927,379 0.473,380 -0.647,381 1.555,383 -1,384 -1.406,385 -2.152,386 -1,387 0.109,388 -0.89,389 1.365,390 -0.057,391 -1,392 -1.5,394 -2.347,395 -1.055,396 10.233,397 0.487,398 0.494,399 0.024,400 20.75,401 0.988,402 9,403 0.429,404 11.75,405 0.56,406 21.857,407 1.041,408 24.567,409 0.558,410 14.169,411 0.675,412 3.562,413 0.17,414 6.445,415 0.307,416 0.277,417 0.293,419 0.75,420 1.236,421 0.964,422 1.128,423 0.69,424 1.1,425 0.418,426 1.239,427 0.931,428 1.156,429 0.453,430 1.154,431 0.802,432 1,433 0.818,434 0.903,435 0.867,436 0.969,437 1.255,438 1.094,439 0.971,440 1.006,441 1.223,442 1.019,443 1.16,444 1.125,445 0.996,446 1.134,447 0.981,448 1.336,449 0.976,450 1.139,451 1.374,452 0.992,453 1.286,454 1.232,455 1.282,456 1.029,457 1.125,458 0.943,459 1.182,460 1.06,461 1.09,462 1.03,463 4,464 0.045,465 2.667,466 1.813,467 1.151,468 0.625,469 0.469,470 0.286,471 0.103,472 0.07,473 3519,474 10508,475 1.842,476 52.3,477 9,478 8,480 3,481 1,482 2,483 1.637,484 1.68,485 3.094,486 1.062,487 1,489 1,490 67.418,491 1.532,492 3.418,493 4.863,494 4.925,495 4.925,496 2.506,497 4.011,498 4.364,499 3.218,500 675.742,501 7.505,502 7294.49,504 1,505 240.215,506 1.557,507 4.284,508 8.398}
{0 CHEMBL275980,1 0.913,2 1.193,3 0.051,4 23.578,5 0.032,6 2,7 2,8 2,9 0.035,10 -0.082,11 1.086,12 1,13 4.257,14 3.058,15 5.058,16 3.058,17 2,18 1.532,19 8,20 3.014,21 9.084,22 85.359,23 7.033,24 0.286,25 3.819,26 3.94,27 3.3,28 3.364,29 4.924,30 3.289,31 4.353,32 4.536,33 3.615,34 3.738,35 5.464,36 3.629,37 4.69,38 4.906,39 3.785,40 3.935,41 5.724,42 3.807,43 4.862,44 5.098,45 3.911,46 3.98,47 6.015,48 3.851,49 4.865,50 5.095,51 3.782,52 3.943,53 6.157,54 3.787,55 4.717,56 4.958,57 3.683,58 3.867,59 5.771,60 3.685,61 4.632,62 4.868,63 3.675,64 3.78,65 5.78,66 3.592,67 4.575,68 4.849,69 3.06,70 3.593,71 5.585,72 3.35,73 0.039,74 0.584,75 10.716,76 4.658,77 12.009,78 5.964,79 0.221,80 0.927,81 19.147,82 7.626,83 50.746,84 10.123,85 0.297,86 1.212,87 26.909,88 9.878,89 60.789,90 13.265,91 0.39,92 1.365,93 34.913,94 10.735,95 81.534,96 14.391,97 0.692,98 1.292,99 36.894,100 11.468,101 155.061,102 14.327,103 0.338,104 1.164,105 31.758,106 10.662,107 83.218,108 13.288,109 0.322,110 1.073,111 31.192,112 10.025,113 76.749,114 12.322,115 0.319,116 0.951,117 30.175,118 9.486,119 70.781,120 11.836,121 64,122 28,123 0.273,124 0.606,125 0.758,126 0.831,127 0.842,128 0.842,129 3.103,130 1.1,131 -3.91,132 -3.86,133 -3.66,134 36.4,135 3,137 3,139 1,141 1,142 5,143 1,145 2,149 1,150 1,151 11,154 1,155 2,156 2,157 1,158 12,159 1,162 2,164 1,165 1,166 4,168 9,169 2,172 5,173 1,176 4,178 6,179 1,181 1,182 5,184 1,186 3,188 5,189 1,192 3,196 3,198 4,199 2,203 3,207 3,209 6,212 2,219 6,225 2,227 5,228 1,229 585,230 13.458,231 13.458,232 13.458,233 13.458,234 13.458,235 12.419,236 10.939,237 7.929,238 13.52,239 10.214,240 10.214,241 10.214,242 10.214,243 10.214,244 8.658,245 8.824,246 3.571,247 10.318,248 3.927,249 2.059,250 1.202,251 0.796,252 0.733,253 0.733,254 3.73,255 1,256 325,257 4.528,259 83.718,261 1.333,262 27.835,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 45.5,271 168,272 4.222,273 3.862,274 6.584,275 4.068,276 3.072,277 3.588,278 10.28,279 4.005,280 3.707,281 6.28,282 3.845,283 2.858,284 3.213,285 1.906,286 9.165,287 2.812,288 3.724,289 3.236,290 5.617,291 3.399,292 2.392,293 2.954,294 0.262,295 7.21,296 2.401,297 3.088,298 2.966,299 4.461,300 2.738,301 1.732,302 2.245,304 4.17,305 1.722,306 2.97,307 2.427,308 4.414,309 2.711,310 1.706,311 1.973,313 4,314 1.709,315 2.607,316 1.91,317 3.747,318 2.277,319 1.301,320 1.592,321 2.968,322 1.258,323 2.5,324 1.38,325 3.305,326 2,327 1,328 1.5,329 2.136,330 1,331 1.911,332 1.261,333 3.247,334 1.723,335 0.777,336 0.861,337 1.674,338 0.722,339 1.785,340 1,341 3,342 1.526,343 0.555,344 0.621,345 1.167,346 0.524,347 0.905,348 0.651,349 2.312,350 0.63,351 -0.257,352 -0.273,353 -0.419,354 -0.222,355 0.635,356 0.499,357 2.142,358 0.254,359 -0.753,360 -0.947,361 -1.612,362 -0.752,363 0.586,364 -0.001,365 1.611,366 0.244,367 -0.791,368 -0.965,369 -2,370 -0.796,371 0.5,372 -0.645,373 1.586,375 -1,376 -1,377 -2,378 -0.983,379 0.338,380 -0.889,381 1.555,383 -1,384 -1.36,385 -2.027,386 -1,388 -1,389 1.365,390 -0.017,391 -1,392 -1.5,394 -2.347,395 -1,396 10.233,397 0.487,398 0.621,399 0.03,400 20.75,401 0.988,402 9,403 0.429,404 11.75,405 0.56,406 22.544,407 1.074,408 24.567,409 0.558,410 14.389,411 0.685,412 3.556,413 0.169,414 6.323,415 0.301,416 0.326,417 0.342,419 0.75,420 1.236,421 0.964,422 1.128,423 0.703,424 1.1,425 0.414,426 1.191,427 0.9,428 1.11,429 0.452,430 1.099,431 0.799,432 1.117,433 0.859,434 0.987,435 0.877,436 1.059,437 1.198,438 1.027,439 0.922,440 0.959,441 1.102,442 0.967,443 1.446,444 1.181,445 0.957,446 1.449,447 0.976,448 1.188,449 0.968,450 1.116,451 1.274,452 0.983,453 1.07,454 1.17,455 1.023,456 1.077,457 1.057,458 1.018,459 1.439,460 1.259,461 1.049,462 1.089,463 4.5,464 0.049,465 2.889,466 2.063,467 1.071,468 0.625,469 0.551,470 0.286,471 0.152,472 0.089,473 3443,474 10376,475 1.817,476 52.3,477 10,478 8,480 3,481 1,482 1,483 1.637,484 1.636,485 2.998,486 1.062,487 1,489 1,490 67.418,491 1.532,492 3.401,493 4.664,494 4.726,495 4.726,496 2.453,497 3.726,498 4.366,499 3.171,500 666.002,501 7.508,502 7162.6,504 1,505 240.215,506 1.585,507 4.267,508 7}
{0 CHEMBL276008,1 0.782,2 1.247,3 -0.024,4 22.807,5 0.005,6 2,7 2,8 1,9 0.046,10 -0.138,11 1.089,12 1.081,13 4.504,14 3.061,15 5.061,16 3.061,17 1,18 1.839,19 8.571,20 2.582,21 6.667,22 76.796,23 8.352,24 0.286,25 3.709,26 3.812,27 3.324,28 3.229,29 4.983,30 3.2,31 4.226,32 4.382,33 3.679,34 3.585,35 5.58,36 3.538,37 4.565,38 4.757,39 3.862,40 3.759,41 6.012,42 3.702,43 4.665,44 4.863,45 3.845,46 3.796,47 5.987,48 3.707,49 4.662,50 4.89,51 3.746,52 3.781,53 6.003,54 3.645,55 4.579,56 4.806,57 3.722,58 3.696,59 5.82,60 3.567,61 4.513,62 4.735,63 3.71,64 3.467,65 6.072,66 3.376,67 4.209,68 4.456,69 3.191,70 3.031,71 5.764,72 2.972,73 0.152,74 0.644,75 7.707,76 4.037,77 29.78,78 4.397,79 0.375,80 1.006,81 15.043,82 6.547,83 75.095,84 7.624,85 0.822,86 1.379,87 22.802,88 8.398,89 143.41,90 9.709,91 0.819,92 1.239,93 27.821,94 9.093,95 155.019,96 10.457,97 0.878,98 1.197,99 31.065,100 9.917,101 179.064,102 11.721,103 0.728,104 1.225,105 28.525,106 9.447,107 146.31,108 10.424,109 0.969,110 1.117,111 31.469,112 8.374,113 184.316,114 8.684,115 0.81,116 0.76,117 20.998,118 5.454,119 146.76,120 6.158,121 74,122 29,123 0.339,124 0.688,125 0.83,126 0.902,127 0.911,128 0.911,129 3.102,130 1,131 -4.19,132 -4.13,133 -3.91,134 36.8,135 2,137 2,139 1,141 1,142 3,143 1,144 2,145 2,149 1,150 1,151 6,154 1,155 2,156 2,157 1,158 7,159 1,162 2,164 1,165 1,166 2,168 6,172 3,173 1,176 2,178 3,179 1,181 1,182 3,184 1,186 3,188 1,189 1,192 2,196 2,198 2,199 2,203 2,207 2,209 2,212 2,219 1,225 1,229 592,230 13.198,231 13.198,232 13.198,233 13.198,234 13.198,235 12.081,236 13.142,237 7.508,238 13.377,239 10.165,240 10.165,241 10.165,242 10.165,243 10.165,244 8.454,245 10.747,246 3.38,247 10.502,248 3.409,249 1.515,250 0.744,251 0.356,252 0.303,253 0.303,254 3.727,255 1,256 348,257 4.301,259 81.512,261 1.361,262 45.276,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 48.5,271 180,272 4.306,273 3.847,274 6.584,275 4.074,276 3.08,277 3.904,278 10.288,279 4.048,280 3.688,281 5.961,282 3.733,283 2.773,284 3.269,285 1.906,286 8.302,287 2.659,288 3.808,289 3.311,290 5.774,291 3.573,292 2.603,293 2.994,294 0.262,295 7.579,296 2.502,297 3.519,298 3.233,299 5.486,300 3.183,301 2.195,302 2.755,304 6.668,305 2.138,306 2.822,307 2.872,308 4.415,309 2.458,310 1.476,311 1.95,313 3.93,314 1.431,315 2.759,316 2.111,317 4.042,318 2.353,319 1.414,320 1.753,321 3.515,322 1.311,323 2.298,324 2.013,325 3.621,326 1.973,327 0.976,328 1.153,329 2.252,330 0.954,331 1.955,332 1.687,333 3.204,334 1.754,335 0.829,336 0.898,337 1.593,338 0.744,339 1.318,340 0.894,341 2.514,342 0.95,343 0.09,344 0.105,345 0.184,346 0.075,347 0.878,348 0.573,349 2.373,350 0.641,351 -0.23,352 -0.237,353 -0.392,354 -0.196,355 0.751,356 0.483,357 2.27,358 0.446,359 -0.586,360 -0.712,361 -1.318,362 -0.579,363 0.691,364 0.169,365 1.928,366 0.278,367 -0.661,368 -0.83,369 -1.694,370 -0.608,371 0.432,372 -0.132,373 1.59,375 -1,376 -1.272,377 -2,378 -0.961,379 0.022,380 -0.817,381 1.356,382 -0.278,383 -1.204,384 -1.379,385 -3.088,386 -1.095,387 -0.172,388 -0.885,389 1.305,390 -0.402,391 -1.396,392 -1.663,394 -3.569,395 -1.25,396 9.805,397 0.467,398 0.727,399 0.035,400 21.25,401 1.012,402 9,403 0.429,404 12.25,405 0.583,406 20.866,407 0.994,408 24.995,409 0.658,410 16.41,411 0.781,412 3.997,413 0.19,414 5.776,415 0.275,416 0.347,417 0.408,418 2,419 0.65,420 1.012,421 0.836,422 1.088,423 0.631,424 1.021,425 0.516,426 1.069,427 0.8,428 1.122,429 0.522,430 1.064,431 0.799,432 0.902,433 0.832,434 0.916,435 0.81,436 1,437 1.009,438 0.88,439 1.017,440 1.006,441 1.018,442 1.089,443 0.703,444 1.062,445 1.012,446 0.731,447 1.016,448 0.973,449 1.013,450 1.125,451 0.984,452 1.047,453 1.165,454 1.258,455 1.159,456 1.044,457 1.208,458 0.902,459 0.914,460 0.817,461 1.208,462 0.856,463 5.5,464 0.058,465 3.556,466 1.813,467 1.293,468 0.736,469 0.59,470 0.318,471 0.144,472 0.131,473 3451,474 15872,475 1.792,476 44.7,477 4,478 6,480 3,481 1,482 3,483 1.636,484 1.595,485 3.104,486 1.156,487 1,489 1,490 69.877,491 1.839,492 3.733,493 4.892,494 4.945,495 4.945,496 2.529,497 4.202,498 4.364,499 3.235,500 679.432,501 7.496,502 7256,503 1,504 1,505 199.421,506 1.554,507 4.249,508 8.301}
{0 CHEMBL416522,1 1.037,2 1.156,3 -0.04,4 24.424,5 -0.037,6 2,7 2,8 3,9 0.043,10 -0.044,11 0.967,12 0.96,13 4.671,14 3.111,15 5.111,16 3.111,17 3,18 1.54,19 10.815,20 3.946,21 15.569,22 107.718,23 7.453,24 0.429,25 4.009,26 4.116,27 3.545,28 3.581,29 5.171,30 3.526,31 4.514,32 4.671,33 3.876,34 3.962,35 5.686,36 3.877,37 4.844,38 5.034,39 4.016,40 4.151,41 5.941,42 4.045,43 4.999,44 5.208,45 4.083,46 4.204,47 6.129,48 4.078,49 5.048,50 5.285,51 4.061,52 4.205,53 6.244,54 4.059,55 5.014,56 5.25,57 4.084,58 4.15,59 6.156,60 4.011,61 4.942,62 5.161,63 3.974,64 4.025,65 6.211,66 3.89,67 4.731,68 4.956,69 3.72,70 3.869,71 5.996,72 3.737,73 0.058,74 0.679,75 11.727,76 5.399,77 17.384,78 6.605,79 0.213,80 1.093,81 20.672,82 8.922,83 52.632,84 11.446,85 0.341,86 1.443,87 29.59,88 11.693,89 70.555,90 15.061,91 0.412,92 1.645,93 37.754,94 13.337,95 95.801,96 17.041,97 0.561,98 1.71,99 41.926,100 14.582,101 134.286,102 18.654,103 0.399,104 1.617,105 40.632,106 14.11,107 99.862,108 17.516,109 0.659,110 1.47,111 43.745,112 13.176,113 135.424,114 15.159,115 0.586,116 1.169,117 30.227,118 10.46,119 121.144,120 13.009,121 54,122 38,123 0.26,124 0.608,125 0.788,126 0.859,127 0.885,128 0.891,129 3.34,130 1.011,131 -4.31,132 -4.25,133 -4.01,134 40.4,135 2,136 1,137 2,139 1,141 1,142 8,143 3,144 1,145 2,149 1,150 1,151 15,154 1,155 2,156 4,157 1,158 19,159 1,162 2,164 1,165 1,166 5,168 16,169 1,172 4,173 1,176 6,178 9,179 3,181 1,182 6,184 1,186 8,188 4,189 3,192 8,196 6,198 5,199 2,203 5,206 1,207 3,208 1,209 8,212 2,215 1,216 1,219 11,223 1,225 4,227 12,228 1,229 1150,230 17.629,231 17.629,232 17.629,233 17.629,234 17.629,235 15.761,236 16.17,237 10.336,238 17.735,239 13.674,240 13.674,241 13.674,242 13.674,243 13.674,244 10.938,245 11.757,246 4.761,247 13.86,248 4.16,249 2.093,250 1.029,251 0.606,252 0.452,253 0.414,254 3.997,255 1,256 596,257 4.472,259 217.641,261 1.539,262 37.073,265 1,266 1,267 1,268 1,269 1,270 58.5,271 292,272 4.327,273 3.856,274 6.682,275 4.116,276 3.117,277 3.852,278 10.619,279 4.078,280 3.701,281 6.07,282 3.815,283 2.828,284 3.625,285 1.906,286 8.718,287 2.782,288 3.941,289 3.24,290 5.882,291 3.595,292 2.598,293 3.198,294 0.262,295 8.005,296 2.59,297 3.755,298 3.131,299 5.35,300 3.455,301 2.469,302 2.948,304 6.863,305 2.422,306 3.377,307 2.816,308 4.875,309 2.999,310 2.029,311 2.647,313 5.614,314 1.955,315 3.126,316 2.454,317 4.822,318 2.817,319 1.808,320 2.261,321 4.878,322 1.815,323 2.86,324 2.23,325 4.122,326 2.414,327 1.414,328 2.01,329 3.364,330 1.414,331 2.633,332 1.922,333 3.671,334 2.296,335 1.324,336 1.629,337 2.973,338 1.273,339 2.5,340 1.509,341 3.579,342 2,343 1,344 1.5,345 2.387,346 1,347 2.349,348 1.378,349 3.414,350 1.99,351 0.984,352 1.214,353 2.275,354 0.973,355 1.939,356 1,357 3.326,358 1.729,359 0.792,360 0.881,361 1.581,362 0.725,363 1.351,364 0.725,365 2.783,366 1.071,367 0.119,368 0.136,369 0.265,370 0.111,371 1.067,372 0.57,373 2.371,374 0.786,375 -0.156,376 -0.176,377 -0.279,378 -0.141,379 0.843,380 0.51,381 2.158,382 0.592,383 -0.345,384 -0.389,385 -0.691,386 -0.328,387 0.787,388 0.123,389 2,390 0.465,391 -0.529,392 -0.644,394 -1.249,395 -0.512,396 13.067,397 0.484,398 0.757,399 0.028,400 31,401 1.148,402 15.5,403 0.574,404 15.5,405 0.574,406 27.263,407 1.01,408 30.133,409 0.579,410 23.906,411 0.885,412 5.841,413 0.216,414 6.988,415 0.259,416 0.242,417 0.344,419 0.813,420 1.087,421 0.916,422 1.013,423 0.765,424 0.977,425 0.452,426 1.154,427 0.887,428 1.096,429 0.471,430 1.067,431 0.858,432 1.078,433 0.919,434 1.001,435 0.908,436 1.076,437 1.079,438 1.15,439 1.003,440 1.068,441 1.09,442 1.101,443 0.799,444 1.013,445 1.031,446 0.811,447 0.994,448 1.094,449 1.005,450 0.954,451 1.094,452 0.918,453 1.54,454 1.406,455 1.596,456 0.974,457 1.138,458 0.808,459 0.995,460 0.857,461 1.17,462 0.9,463 6,464 0.132,465 3.556,466 2.25,467 1.684,468 1.021,469 0.733,470 0.526,471 0.317,472 0.211,473 7864,474 23636,475 1.913,476 48.1,477 7,478 11,480 4,481 1,482 2,483 1.704,484 1.742,485 3.391,486 1.661,490 80.088,491 1.54,492 3.607,493 5.094,494 5.248,495 5.287,496 2.858,497 4.357,498 4.728,499 3.535,500 1240.93,501 8.226,502 16058.1,504 1,505 296.423,506 1.561,507 4.65,508 6.678}
{0 CHEMBL6915,1 0.933,2 1.218,3 0.041,4 23.222,5 0.022,6 2,7 2,8 2,9 0.035,10 -0.11,11 1.073,12 1.039,13 4.385,14 3.051,15 5.051,16 3.051,17 2,18 1.563,19 7.9,20 2.695,21 7.261,22 80.888,23 7.206,24 0.3,25 3.754,26 3.871,27 3.256,28 3.301,29 4.876,30 3.23,31 4.278,32 4.454,33 3.554,34 3.663,35 5.42,36 3.555,37 4.607,38 4.828,39 3.718,40 3.839,41 5.662,42 3.717,43 4.72,44 4.934,45 3.826,46 3.881,47 5.916,48 3.758,49 4.758,50 4.991,51 3.708,52 3.868,53 6.031,54 3.702,55 4.629,56 4.872,57 3.618,58 3.789,59 5.672,60 3.6,61 4.544,62 4.786,63 3.538,64 3.642,65 5.716,66 3.453,67 4.383,68 4.657,69 2.887,70 3.357,71 5.436,72 3.14,73 0.033,74 0.545,75 9.853,76 4.315,77 12.104,78 5.445,79 0.205,80 0.861,81 17.632,82 7.036,83 49.355,84 9.241,85 0.304,86 1.104,87 25.027,88 9.002,89 60.829,90 11.958,91 0.362,92 1.205,93 30.409,94 9.56,95 79.958,96 12.393,97 0.596,98 1.194,99 33.501,100 10.675,101 137.681,102 13.306,103 0.279,104 1.082,105 29.434,106 9.991,107 72.402,108 12.375,109 0.327,110 0.963,111 29.68,112 9.105,113 77.297,114 11.044,115 0.298,116 0.761,117 24.141,118 7.427,119 65.281,120 9.372,121 51,122 26,123 0.283,124 0.629,125 0.794,126 0.863,127 0.875,128 0.875,129 3.057,130 1.1,131 -3.66,132 -3.63,133 -3.45,134 36.6,135 2,136 1,137 2,139 1,141 1,142 5,143 1,145 2,149 1,150 1,151 10,154 1,155 2,156 2,157 1,158 11,159 1,162 2,164 1,165 1,166 3,168 9,169 1,172 4,173 1,176 3,178 6,179 1,181 1,182 4,184 1,186 3,188 4,189 1,192 3,196 3,198 3,199 2,203 3,207 3,209 4,212 2,219 4,225 2,227 3,228 1,229 528,230 13.121,231 13.121,232 13.121,233 13.121,234 13.121,235 12.082,236 10.939,237 7.771,238 13.186,239 9.668,240 9.668,241 9.668,242 9.668,243 9.668,244 8.108,245 8.824,246 3.43,247 9.777,248 3.795,249 1.886,250 0.973,251 0.592,252 0.525,253 0.525,254 3.685,255 1,256 306,257 4.301,259 78.748,261 1.31,262 26.638,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 43.5,271 158,272 4.215,273 3.851,274 6.576,275 4.057,276 3.059,277 3.588,278 10.254,279 3.923,280 3.694,281 5.942,282 3.703,283 2.719,284 3.167,285 1.906,286 8.243,287 2.662,288 3.698,289 3.236,290 5.59,291 3.377,292 2.371,293 2.909,294 0.262,295 7.104,296 2.377,297 3.085,298 2.965,299 4.459,300 2.713,301 1.707,302 2.245,304 4.161,305 1.709,306 2.666,307 2.126,308 3.807,309 2.337,310 1.356,311 1.656,313 3.044,314 1.314,315 2.5,316 1.905,317 3.55,318 2.136,319 1.13,320 1.5,321 2.426,322 1.121,323 2.446,324 1.38,325 3.247,326 2,327 1,328 1.342,329 2.136,330 1,331 1.898,332 1,333 3.224,334 1.705,335 0.771,336 0.847,337 1.518,338 0.704,339 1.348,340 0.706,341 2.635,342 1.212,343 0.239,344 0.251,345 0.354,346 0.228,347 0.904,348 0.552,349 2.253,350 0.624,351 -0.272,352 -0.292,353 -0.429,354 -0.237,355 0.627,356 0.499,357 1.91,358 0.245,359 -0.754,360 -0.95,361 -1.612,362 -0.753,363 0.57,364 -0.093,365 1.607,366 0.237,367 -0.805,368 -0.965,369 -1.786,370 -0.808,371 0.5,372 -0.645,373 1.555,375 -1,376 -1.35,377 -2,378 -0.983,379 0.322,380 -0.889,381 1.367,382 -0.017,383 -1,384 -1.5,385 -2.347,386 -1,387 -0.381,388 -1,389 1.11,390 -0.488,391 -1.495,392 -1.606,394 -4.011,395 -1.474,396 9.733,397 0.487,398 0.494,399 0.025,400 20.25,401 1.013,402 9,403 0.45,404 11.25,405 0.563,406 19.998,407 1,408 23.267,409 0.567,410 13.794,411 0.69,412 3.562,413 0.178,414 5.945,415 0.297,416 0.291,417 0.308,419 0.752,420 1.221,421 0.951,422 1.109,423 0.695,424 1.078,425 0.419,426 1.224,427 0.918,428 1.139,429 0.461,430 1.132,431 0.819,432 1.003,433 0.822,434 0.902,435 0.885,436 0.972,437 1.288,438 1.09,439 1.007,440 1.023,441 1.232,442 1.051,443 1.153,444 1.144,445 0.985,446 1.168,447 0.986,448 1.012,449 1.005,450 1.097,451 1.065,452 1.005,453 1.103,454 1.221,455 1.062,456 1.057,457 1.175,458 0.916,459 1.248,460 1.079,461 1.153,462 1.001,463 4,464 0.037,465 2.667,466 1.813,467 0.991,468 0.569,469 0.469,470 0.224,471 0.103,472 0.07,473 3046,474 9701,475 1.835,476 51.2,477 7,478 8,480 3,481 1,482 2,483 1.623,484 1.667,485 3.001,486 1.103,487 1,489 1,490 64.063,491 1.563,492 3.472,493 4.766,494 4.833,495 4.833,496 2.466,497 3.922,498 4.295,499 3.148,500 598.064,501 7.362,502 6213.64,503 1,504 1,505 219.66,506 1.571,507 4.209,508 8.268}