"molecule_id","MATS4m","SpMin1_Bh.p.","SpMin2_Bh.p.","SsssCH","BLI","GATS4m","GATS7m","X0Av","X1Av","X3Av","X4Av","X5Av","ATSC3m","MATS2i","Eta_alpha_A","GATS1p","GATS3p","Mp","nArX","nHM","SpMax1_Bh.m.","X2Av","ATSC8m","GATS2i","GGI5","GATS4p","X4v","GATS3m","MATS4p","Eta_F_A","ATSC6s","SpMax2_Bh.m.","GATS3s","C.026","CATS2D_04_DL","SpMAD_EA.ri.","SpMax5_Bh.s.","MW","X2v","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","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLTA96","BLTD48","BLTF96","Br.094","C.","C.001","C.002","C.005","C.006","C.007","C.010","C.013","C.014","C.015","C.016","C.024","C.025","C.027","C.028","C.033","C.034","C.040","C.043","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_AP","CATS2D_02_DA","CATS2D_02_DL","CATS2D_02_LL","CATS2D_02_NL","CATS2D_02_PL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AN","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","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_DN","CATS2D_04_LL","CATS2D_04_NL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AP","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_LL","CATS2D_05_NL","CATS2D_05_PL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_LL","CATS2D_06_NL","CATS2D_06_PL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_DN","CATS2D_07_DP","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_PL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DN","CATS2D_08_LL","CATS2D_08_NL","CATS2D_08_PL","CATS2D_09_AL","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_NL","CATS2D_09_PL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.089","CMC.50","CMC.80","CSI","DBI","D.Dtr05","D.Dtr06","D.Dtr09","DECC","DELS","Depressant.50","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_07","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","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.dm.","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.ed.","Eig15_EA.ri.","Eta_alpha","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_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_x","Eta_sh_y","F.083","F.085","GATS1e","GATS1i","GATS1m","GATS1s","GATS1v","GATS2e","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3v","GATS4e","GATS4i","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7p","GATS7s","GATS7v","pXC50"
{1 -0.003,2 2.016,3 1.815,4 -0.498,5 1.135,6 0.448,7 0.601,8 0.666,9 0.378,10 0.138,11 0.083,12 0.051,13 40.055,14 0.032,15 0.535,16 0.775,17 1.038,18 0.712,19 1,20 2,21 6.881,22 0.228,23 28.496,24 1.035,25 0.316,26 0.848,27 3.317,28 0.894,29 -0.029,30 0.665,31 26.866,32 4.17,33 1.036,34 2,35 4,36 1.289,37 4.23,38 368.32,39 6.38,40 1.669,41 10.143,42 3.743,43 14.008,44 91.964,45 9.444,46 0.5,47 3.739,48 3.838,49 3.552,50 3.372,51 4.827,52 3.293,53 4.23,54 4.375,55 3.922,56 3.726,57 5.268,58 3.612,59 4.447,60 4.636,61 4.118,62 3.782,63 5.47,64 3.622,65 4.457,66 4.672,67 3.654,68 3.657,69 5.416,70 3.528,71 4.43,72 4.651,73 3.77,74 3.681,75 5.378,76 3.522,77 4.413,78 4.66,79 3.56,80 3.65,81 5.289,82 3.459,83 4.302,84 4.539,85 3.518,86 3.549,87 5.302,88 3.367,89 4.195,90 4.437,91 3.534,92 3.458,93 5.126,94 3.271,95 0.029,96 0.5,97 6.26,98 3.908,99 10.475,100 4.668,101 0.114,102 0.806,103 14.604,104 6.746,105 17.54,106 7.7,107 0.254,108 0.948,109 9.754,110 32.509,111 10.349,112 0.309,113 0.973,114 24.085,115 8.342,116 31.883,117 9.721,118 0.247,119 0.94,120 27.073,121 8.408,122 31.522,123 10.065,124 0.215,125 0.921,126 35.654,127 8.963,128 10.8,129 0.231,130 0.804,131 22.718,132 7.748,133 34.522,134 9.58,135 0.198,136 0.722,137 7.639,138 26.859,139 8.636,140 13,141 28,142 0.301,143 0.677,144 0.854,145 0.908,146 0.917,147 0.917,148 3.101,149 -3.92,150 -3.88,151 -3.68,152 1,153 41,157 3,162 1,163 1,164 5,165 1,168 1,169 1,177 5,180 3,183 1,184 6,188 3,192 1,193 3,194 3,198 1,200 1,203 2,210 3,211 4,218 3,219 5,224 1,226 3,229 3,233 2,236 1,238 5,244 1,246 3,249 582,250 14.267,251 14.267,252 14.267,253 14.267,254 14.267,255 12.764,256 18.475,257 8.873,258 14.844,259 10.831,260 10.831,261 10.831,262 10.831,263 10.831,264 8.574,265 23.004,266 4.165,267 11.875,268 3.617,269 1.533,270 0.554,271 0.256,272 0.205,273 0.205,274 3.763,276 1,277 1,278 438,279 3.317,280 64.526,281 79.059,283 1.401,284 16.561,286 1,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 44.25,296 213,297 4.199,298 3.225,299 6.138,300 3.817,301 2.872,302 3.803,303 1.151,304 9.034,305 2.75,306 4.17,307 3.152,308 6.066,309 3.76,310 2.835,311 3.759,312 0.765,313 8.75,314 2.566,315 3.414,316 2.751,317 4.993,318 3.062,319 2.198,320 2.581,321 0.657,322 5.87,323 1.813,324 3.014,325 2.343,326 4.458,327 2.699,328 1.777,329 2.133,331 4.526,332 1.621,333 2.941,334 1.871,335 4.021,336 2.517,337 1.552,338 2.109,340 3.457,341 1.493,342 2.741,343 1.589,344 3.652,345 2.264,346 1.325,347 1.695,349 3.092,350 1.248,351 2.582,352 1.485,353 3.37,354 2.199,355 1.267,356 1.597,358 2.449,359 1.119,360 2.209,361 1.199,362 3.284,363 1.724,364 0.876,365 1.103,366 1.958,367 0.705,368 1.982,369 0.721,370 3.201,371 1.514,372 0.648,373 0.865,374 1.575,375 0.544,376 1.738,377 0.679,378 2.586,379 1.267,380 0.347,381 0.447,382 0.6,383 0.316,384 1.111,385 0.277,386 2.359,387 0.815,388 -0.116,389 -0.134,390 -0.232,391 -0.106,392 0.703,393 -0.037,394 2,395 0.331,396 -0.604,397 -0.733,398 -1.221,399 -0.342,400 0.489,401 -0.261,402 1.809,403 0.101,404 -0.764,405 -0.88,406 -1.786,407 -0.561,408 0.429,409 -0.654,410 1.601,411 -0.154,412 -0.877,413 -1.143,414 -2.005,415 -0.851,416 0.103,417 -0.83,418 1.426,419 -0.253,420 -1.226,421 -1.437,422 -2.449,423 -1.118,424 11.233,425 0.383,426 0.018,427 23.75,428 1.131,429 11.5,430 0.548,431 12.25,432 0.583,433 18.585,434 0.885,435 22.367,436 0.574,437 13.962,438 4.663,439 0.222,440 5.54,441 0.264,442 0.193,444 0.223,447 0.939,448 1.052,449 0.532,450 1.069,451 0.854,452 1.204,453 0.66,454 0.856,455 0.994,456 0.93,457 1.122,458 1.141,459 1.034,460 1.356,461 1.076,462 1.158,463 0.939,464 0.994,465 1.094,466 0.737,467 0.921,468 1.075,469 1.048,470 0.779,471 0.966,472 0.998,473 1.021,474 0.689,475 1.033,476 0.686,477 0.947,478 0.813,479 0.862,480 0.96,481 7.745}
{0 CHEMBL193366,1 -0.093,2 2.041,3 1.996,4 -1.038,5 0.899,6 1.072,7 1.048,8 0.544,9 0.3,10 0.087,11 0.049,12 0.028,13 22.085,14 0.274,15 0.457,16 1.09,17 1.147,18 0.647,21 3.928,22 0.156,23 19.565,24 0.763,25 0.854,26 0.979,27 2.323,28 0.82,29 -0.034,30 0.956,31 164.528,32 3.858,33 0.548,34 1,35 6,36 1.364,37 4.884,38 351.4,39 5.477,40 1.627,41 11.16,42 3.983,43 15.866,44 91.481,45 7.809,46 0.462,47 3.891,48 4,49 3.459,50 3.396,51 5.081,52 3.392,53 4.425,54 4.578,55 3.863,56 3.729,57 6.07,58 3.716,59 4.63,60 4.825,61 3.846,62 3.838,63 5.854,64 3.793,65 4.739,66 4.961,67 3.774,68 3.793,69 5.951,70 3.746,71 4.662,72 4.889,73 3.701,74 3.765,75 5.812,76 3.699,77 4.691,78 4.933,79 3.658,80 3.717,81 6.088,82 3.632,83 4.597,84 4.857,85 3.475,86 3.608,87 5.84,88 3.507,89 4.39,90 4.639,91 3.35,92 3.496,93 5.471,94 3.407,95 0.134,96 0.798,97 8.5,98 4.562,99 30.034,100 5.174,101 0.841,102 1.558,103 17.577,104 7.146,105 141.527,106 8.286,107 0.452,108 1.356,109 8.886,110 49.805,111 11.123,112 0.804,113 1.467,114 27.497,115 9.17,116 102.805,117 11.069,118 0.578,119 1.377,120 24.556,121 8.703,122 86.216,123 11.011,124 1.015,125 1.313,126 27.035,127 8.787,128 11.28,129 0.909,130 1.201,131 25.442,132 7.999,133 115.512,134 10.392,135 0.459,136 0.954,137 6.983,138 73.361,139 9.021,140 32,141 35,142 0.284,143 0.605,144 0.779,145 0.872,146 0.909,147 0.909,148 3.266,149 -4.92,150 -4.83,151 -4.53,153 42.2,157 3,160 1,162 1,163 1,164 8,165 3,177 11,180 3,183 2,184 10,188 3,192 1,193 4,194 5,198 1,200 1,203 2,210 5,211 5,218 3,219 6,223 1,224 1,226 3,229 7,233 2,236 1,238 8,241 2,244 1,246 8,249 909,250 16.446,251 16.446,252 16.446,253 16.446,254 16.446,255 14.905,256 21.286,257 10,258 16.918,259 12.805,260 12.805,261 12.805,262 12.805,263 12.805,264 10.445,265 26.956,266 4.678,267 13.668,268 3.865,269 2.027,270 1.028,271 0.495,272 0.283,273 0.283,274 3.928,276 1,277 1,278 568,279 4.123,281 187.645,283 1.619,284 42.984,286 1,287 1,288 1,289 1,290 1,291 0.5,292 1,293 1,294 0.93,295 57,296 279,297 4.461,298 4.461,299 7.118,300 4.188,301 3.323,302 3.887,303 3.825,304 11.698,305 2.937,306 4.197,307 3.177,308 6.138,309 3.814,310 2.848,311 3.802,312 1.151,313 9.033,314 2.75,315 3.946,316 3.132,317 6.02,318 3.7,319 2.745,320 3.19,321 0.765,322 8.564,323 2.567,324 3.138,325 2.352,326 4.692,327 2.829,328 1.898,329 2.269,330 0.657,331 5.046,332 1.743,333 3.009,334 2.155,335 4.457,336 2.677,337 1.748,338 2.133,340 4.512,341 1.609,342 2.936,343 1.84,344 4.098,345 2.512,346 1.538,347 2.102,349 3.512,350 1.493,351 2.741,352 1.529,353 3.655,354 2.272,355 1.305,356 1.695,358 3.108,359 1.255,360 2.601,361 1.47,362 3.484,363 2.235,364 1.263,365 1.631,366 2.52,367 1.215,368 2.539,369 1.232,370 3.37,371 2.089,372 1.109,373 1.552,374 2.449,375 1.076,376 2.031,377 1.062,378 3.237,379 1.765,380 0.826,381 0.961,382 1.878,383 0.771,384 1.744,385 0.685,386 2.738,387 1.273,388 0.35,389 0.452,390 0.607,391 0.32,392 1.124,393 0.51,394 2.608,395 0.832,396 -0.107,397 -0.124,398 -0.215,399 -0.1,400 0.759,401 0.51,402 2.385,403 0.369,404 -0.591,405 -0.728,406 -1.211,407 -0.554,408 0.687,409 0.277,410 2,411 0.285,412 -0.672,413 -0.866,414 -1.597,415 -0.642,416 0.597,417 -0.26,418 2,419 0.151,420 -0.835,421 -1,422 -2.005,423 -0.7,424 11.424,425 0.672,426 0.027,427 28.5,428 1.14,429 13.5,430 0.54,431 15,432 0.6,433 19.689,434 0.788,435 28.776,436 0.639,437 23.892,438 6.271,439 0.251,440 5.643,441 0.226,442 0.148,443 0.044,444 0.219,445 3,447 0.661,448 0.955,449 0.734,450 0.69,451 0.984,452 0.615,453 0.843,454 1.045,455 0.466,456 1.037,457 0.682,458 0.936,459 1.078,460 1.113,461 0.974,462 0.991,463 1.004,464 0.867,465 0.976,466 0.981,467 1.079,468 0.834,469 1.076,470 0.8,471 0.886,472 1.007,473 0.968,474 0.79,475 1.036,476 0.893,477 0.704,478 0.846,479 1.002,480 0.962,481 7.237}
{0 CHEMBL193390,1 -0.073,2 2.043,3 2,4 -1.135,5 0.859,6 1.036,7 1.142,8 0.523,9 0.286,10 0.085,11 0.048,12 0.027,13 18.204,14 0.325,15 0.448,16 0.983,17 1.178,18 0.651,21 3.933,22 0.149,23 13.946,24 0.73,25 0.944,26 1.146,27 2.267,28 0.79,29 -0.196,30 0.999,31 211.221,32 3.875,33 0.558,35 8,36 1.417,37 6.45,38 339.34,39 5.232,40 1.747,41 9.917,42 2.987,43 8.923,44 82.613,45 8.484,46 0.48,47 3.796,48 3.892,49 3.417,50 3.3,51 5.077,52 3.318,53 4.317,54 4.451,55 3.859,56 3.66,57 6.122,58 3.665,59 4.543,60 4.723,61 3.836,62 3.787,63 5.869,64 3.758,65 4.673,66 4.882,67 3.792,68 3.707,69 6.027,70 3.692,71 4.618,72 4.837,73 3.653,74 3.573,75 5.962,76 3.552,77 4.498,78 4.729,79 3.525,80 3.447,81 6.03,82 3.406,83 4.361,84 4.599,85 3.365,86 3.346,87 5.732,88 3.309,89 4.138,90 4.323,91 3.364,92 3.29,93 5.66,94 3.271,95 0.237,96 0.746,97 6.499,98 3.984,99 49.559,100 4.06,101 0.932,102 1.493,103 13.425,104 6.372,105 169.719,106 6.853,107 0.604,108 1.303,109 8.177,110 90.663,111 9.766,112 0.954,113 1.376,114 24.114,115 8.459,116 161.679,117 9.767,118 1.026,119 1.196,120 24.186,121 7.509,122 169.124,123 8.94,124 1.179,125 1.061,126 22.627,127 6.93,128 8.274,129 0.975,130 0.969,131 20.332,132 6.061,133 153.822,134 7,135 0.675,136 0.795,137 5.314,138 126.679,139 5.973,140 41,141 35,142 0.313,143 0.635,144 0.764,145 0.871,146 0.914,147 0.914,148 3.227,149 -4.47,150 -4.4,151 -4.15,153 42.5,157 2,160 1,164 8,165 4,170 1,175 1,176 1,177 12,178 1,180 1,182 1,183 3,184 12,185 2,188 2,192 1,193 7,194 6,195 2,198 2,202 1,204 1,206 1,208 1,209 1,210 6,211 1,218 3,219 4,226 2,227 1,229 8,230 1,233 1,234 1,235 1,236 2,238 10,239 2,241 2,244 2,246 8,247 2,249 780,250 15.369,251 15.369,252 15.369,253 15.369,254 15.369,255 13.813,256 18.717,257 9.025,258 15.716,259 12.313,260 12.313,261 12.313,262 12.313,263 12.313,264 9.952,265 24.469,266 4.223,267 12.962,268 3.575,269 1.778,270 1.057,271 0.457,272 0.219,273 0.219,274 3.884,276 1,277 1,278 485,279 4.123,281 178.686,283 1.521,284 51.118,286 1,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 56,296 238,297 4.461,298 4.461,299 7.118,300 4.188,301 3.323,302 3.928,303 3.825,304 11.698,305 2.952,306 4.317,307 3.612,308 6.403,309 3.958,310 2.959,311 3.887,312 1.437,313 9.738,314 2.935,315 3.946,316 3.154,317 6.02,318 3.703,319 2.749,320 3.19,321 0.765,322 8.565,323 2.568,324 3.378,325 2.776,326 4.914,327 3.008,328 2.018,329 2.598,330 0.657,331 5.343,332 1.982,333 3.131,334 2.165,335 4.688,336 2.795,337 1.854,338 2.267,340 5.015,341 1.711,342 2.937,343 1.817,344 4.11,345 2.526,346 1.545,347 2.104,349 3.567,350 1.511,351 2.602,352 1.486,353 3.753,354 2.254,355 1.296,356 1.632,358 3.175,359 1.227,360 2.541,361 1.319,362 3.484,363 2.089,364 1.109,365 1.552,366 2.52,367 1.076,368 2.531,369 1.225,370 3.466,371 2.005,372 1,373 1.475,374 2.305,375 0.994,376 2,377 1.061,378 3.237,379 1.753,380 0.818,381 0.938,382 1.862,383 0.759,384 1.14,385 0.51,386 2.736,387 0.888,388 -0.07,389 -0.079,390 -0.162,391 -0.066,392 0.752,393 0.51,394 2.554,395 0.353,396 -0.636,397 -0.784,398 -1.529,399 -0.623,400 0.674,401 0.476,402 2,403 0.266,404 -0.698,405 -0.868,406 -1.622,407 -0.658,408 0.596,409 0.269,410 2,411 0.147,412 -0.837,413 -1,414 -2,415 -0.7,416 0.453,417 -0.369,418 2,419 0.082,420 -0.896,421 -1,422 -2.13,423 -0.7,424 10.757,425 0.799,426 0.033,427 28,428 1.167,429 13.5,430 0.563,431 14.5,432 0.604,433 18.286,434 0.762,435 27.643,436 0.691,437 23.978,438 6.105,439 0.254,440 5.182,441 0.216,442 0.173,443 0.046,444 0.279,445 3,447 0.685,448 0.895,449 0.696,450 0.713,451 0.893,452 0.457,453 0.747,454 1.017,455 0.418,456 1.027,457 0.59,458 0.925,459 1.129,460 0.993,461 1.047,462 0.952,463 1.121,464 1.002,465 0.892,466 1.062,467 0.975,468 1.003,469 1.031,470 0.909,471 0.888,472 1.052,473 0.909,474 0.906,475 1.003,476 1.136,477 0.683,478 0.73,479 1.202,480 0.868,481 5.602}
{0 CHEMBL193792,1 -0.105,2 2.053,3 1.999,4 -1.779,5 0.839,6 1.024,7 0.945,8 0.524,9 0.28,10 0.081,11 0.045,12 0.024,13 17.917,14 0.385,15 0.436,16 1.122,17 1.205,18 0.634,21 3.972,22 0.14,23 18.422,24 0.623,25 1.347,26 1.168,27 2.575,28 0.703,29 -0.201,30 1.062,31 317.665,32 3.859,33 0.538,34 1,35 6,36 1.375,37 7.999,38 393.36,39 5.756,40 1.776,41 9.963,42 4.309,43 18.565,44 88.292,45 8.94,46 0.429,47 3.902,48 4.001,49 3.564,50 3.355,51 5.18,52 3.397,53 4.483,54 4.627,55 4.077,56 3.706,57 6.469,58 3.755,59 4.62,60 4.787,61 4.033,62 3.852,63 6.009,64 3.865,65 4.818,66 5.013,67 4.066,68 3.835,69 6.252,70 3.869,71 4.844,72 5.059,73 4,74 3.754,75 6.395,76 3.776,77 4.781,78 5.025,79 3.905,80 3.613,81 6.342,82 3.634,83 4.68,84 4.902,85 4.038,86 3.472,87 6.836,88 3.535,89 4.336,90 4.553,91 3.501,92 3.401,93 5.683,94 3.404,95 0.398,96 1.043,97 6.261,98 4.609,99 73.596,100 4.346,101 1.628,102 2.149,103 16.543,104 7.285,105 275.035,106 7.137,107 0.98,108 1.746,109 8.907,110 133.692,111 9.733,112 1.609,113 1.945,114 26.243,115 9.817,116 239.722,117 9.997,118 1.983,119 1.737,120 29.82,121 9.497,122 331.809,123 10.123,124 1.997,125 1.559,126 31.176,127 8.491,128 9.716,129 2.807,130 2.357,131 29.422,132 7.757,133 477.656,134 7.84,135 1.08,136 1.094,137 6.443,138 176.868,139 6.694,140 74,141 41,142 0.313,143 0.607,144 0.751,145 0.838,146 0.889,147 0.889,148 3.34,149 -5.38,150 -5.26,151 -4.92,153 40.9,156 1,157 2,160 2,164 7,165 4,177 10,180 2,183 2,184 10,188 2,192 1,193 4,194 5,198 1,200 1,210 5,211 1,218 2,219 3,223 1,224 1,226 2,229 6,233 2,236 1,238 8,241 2,246 7,249 1189,250 17.004,251 17.004,252 17.004,253 17.004,254 17.004,255 15.63,256 22.154,257 9.733,258 17.769,259 13.729,260 13.729,261 13.729,262 13.729,263 13.729,264 11.54,265 27.815,266 4.481,267 15.033,268 3.683,269 2.018,270 1.197,271 0.705,272 0.415,273 0.415,274 3.994,277 1,278 544,279 4.637,281 201.902,283 1.383,284 71.423,287 0.75,288 1,289 1,290 1,291 1,292 1,293 1,294 0.96,295 65.5,296 269,297 4.617,298 4.481,299 7.291,300 4.33,301 3.432,302 4.131,303 3.825,304 12.445,305 3.135,306 4.352,307 4.453,308 7.103,309 4.113,310 3.272,311 3.8,312 3.825,313 11.638,314 2.76,315 4.192,316 3.182,317 6.13,318 3.806,319 2.838,320 3.532,321 0.86,322 8.981,323 2.745,324 3.75,325 3.122,326 6.057,327 3.545,328 2.641,329 2.85,330 0.765,331 8.551,332 2.331,333 3.131,334 2.264,335 4.775,336 2.814,337 1.898,338 2.257,339 0.657,340 5.172,341 1.697,342 2.947,343 2.12,344 4.528,345 2.61,346 1.667,347 2.106,349 4.36,350 1.56,351 2.917,352 1.754,353 4.406,354 2.457,355 1.483,356 2.069,358 4.14,359 1.436,360 2.669,361 1.612,362 3.901,363 2.286,364 1.359,365 1.714,366 3.124,367 1.235,368 2.544,369 1.354,370 3.63,371 2.152,372 1.184,373 1.556,374 2.951,375 1.13,376 2.042,377 1.068,378 3.264,379 1.778,380 0.836,381 0.981,382 1.909,383 0.782,384 1.656,385 0.939,386 3.011,387 1.38,388 0.498,389 0.563,390 0.799,391 0.435,392 1.061,393 0.51,394 2.76,395 0.83,396 -0.104,397 -0.114,398 -0.212,399 -0.096,400 0.905,401 0.51,402 2.654,403 0.559,404 -0.39,405 -0.473,406 -1.05,407 -0.366,408 0.62,409 0.51,410 2.431,411 0.238,412 -0.699,413 -0.803,414 -1.429,415 -0.638,416 0.579,417 0.51,418 2.199,419 0.143,420 -0.829,421 -1,422 -2.084,423 -0.7,424 11.781,425 1.05,426 0.039,427 29.25,428 1.083,429 12.5,430 0.463,431 16.75,432 0.62,433 23.819,434 0.882,435 32.619,436 0.741,437 28.683,438 6.495,439 0.241,440 6.041,441 0.224,442 0.216,443 0.085,444 0.255,445 6,447 0.64,448 0.928,449 0.62,450 0.668,451 0.972,452 0.519,453 0.669,454 0.895,455 0.407,456 0.906,457 0.61,458 0.914,459 1.119,460 1.003,461 1.074,462 0.946,463 1.141,464 0.987,465 1.032,466 1.08,467 1.082,468 0.992,469 1.125,470 0.938,471 0.893,472 0.994,473 0.866,474 0.987,475 0.926,476 0.823,477 0.624,478 0.704,479 0.874,480 0.834,481 5}
{0 CHEMBL193844,1 -0.01,2 2.018,3 1.855,4 -0.551,5 1.125,6 0.468,7 0.648,8 0.659,9 0.375,10 0.133,11 0.081,12 0.048,13 45.043,14 0.045,15 0.519,16 0.834,17 0.951,18 0.689,19 1,20 2,21 6.881,22 0.219,23 30.029,24 1.062,25 0.483,26 0.922,27 3.56,28 0.883,29 -0.088,30 0.706,31 40.266,32 4.171,33 1.087,34 2,35 4,36 1.308,37 4.33,38 413.37,39 7.022,40 1.748,41 11.5,42 2.748,43 7.551,44 100.503,45 9.186,46 0.44,47 3.885,48 3.993,49 3.659,50 3.461,51 4.973,52 3.397,53 4.401,54 4.563,55 4.028,56 3.819,57 5.473,58 3.718,59 4.627,60 4.826,61 4.212,62 3.882,63 5.728,64 3.741,65 4.597,66 4.804,67 3.794,68 3.769,69 5.626,70 3.658,71 4.614,72 4.832,73 3.901,74 3.773,75 5.645,76 3.644,77 4.572,78 4.812,79 3.759,80 3.734,81 5.546,82 3.596,83 4.453,84 4.656,85 3.754,86 3.704,87 5.595,88 3.579,89 4.446,90 4.66,91 3.745,92 3.723,93 5.428,94 3.564,95 0.066,96 0.619,97 7.78,98 4.488,99 10.777,100 5.329,101 0.243,102 0.972,103 18.386,104 7.702,105 25.271,106 9.008,107 0.561,108 1.103,109 10.564,110 56.324,111 11.578,112 0.399,113 1.07,114 26.587,115 9.08,116 43.418,117 10.897,118 0.428,119 1.064,120 32.051,121 9.356,122 51.7,123 11.157,124 0.386,125 1.025,126 39.545,127 9.378,128 11.305,129 0.44,130 0.934,131 23.584,132 7.989,133 51.268,134 9.695,135 0.286,136 0.931,137 8.872,138 36.512,139 10.414,140 22,141 32,142 0.306,143 0.673,144 0.843,145 0.904,146 0.911,147 0.911,148 3.227,149 -2.97,150 -2.97,151 -2.87,152 1,153 37.8,154 1,157 4,164 5,165 1,168 1,169 1,170 1,177 4,180 2,182 1,183 2,184 6,187 1,188 2,191 1,192 1,193 3,194 3,198 2,200 1,206 3,210 5,215 2,218 4,219 2,223 1,224 2,225 1,226 3,229 4,233 2,236 1,238 7,244 1,246 4,249 932,250 16.129,251 16.129,252 16.129,253 16.129,254 16.129,255 14.601,256 21.367,257 9.921,258 16.759,259 12.297,260 12.297,261 12.297,262 12.297,263 12.297,264 9.96,265 25.895,266 4.634,267 13.36,268 3.744,269 1.648,270 0.675,271 0.328,272 0.283,273 0.283,274 3.89,277 1,278 563,279 3.873,280 74.839,281 93.298,283 1.833,284 24.592,287 1,288 1,289 0.83,290 1,291 1,292 1,293 1,294 0.98,295 51.75,296 276,297 4.201,298 3.608,299 6.14,300 3.821,301 2.873,302 3.803,303 2.03,304 9.04,305 2.754,306 4.171,307 3.224,308 6.066,309 3.761,310 2.839,311 3.759,312 0.892,313 8.75,314 2.567,315 3.644,316 3.121,317 5.031,318 3.344,319 2.347,320 2.82,321 0.765,322 6.067,323 2.323,324 3.414,325 2.75,326 4.993,327 3.061,328 2.196,329 2.581,330 0.657,331 5.869,332 1.811,333 2.956,334 2.211,335 4.427,336 2.631,337 1.695,338 2.111,339 0.141,340 4.429,341 1.572,342 2.916,343 1.743,344 4.019,345 2.461,346 1.492,347 2.066,349 3.438,350 1.439,351 2.582,352 1.537,353 3.64,354 2.206,355 1.318,356 1.598,358 3.061,359 1.12,360 2.21,361 1.511,362 3.285,363 2.046,364 1.089,365 1.144,366 1.997,367 1.036,368 2.161,369 1.244,370 3.249,371 1.728,372 0.877,373 1.099,374 1.932,375 0.709,376 1.983,377 1.185,378 3.199,379 1.518,380 0.652,381 0.87,382 1.576,383 0.546,384 1.767,385 0.715,386 2.724,387 1.449,388 0.526,389 0.612,390 1.035,391 0.477,392 1.111,393 0.431,394 2.473,395 0.866,396 -0.071,397 -0.078,398 -0.158,399 -0.065,400 0.721,401 0.153,402 2,403 0.445,404 -0.518,405 -0.556,406 -0.858,407 -0.341,408 0.64,409 -0.037,410 1.956,411 0.349,412 -0.646,413 -0.784,414 -1.379,415 -0.488,416 0.489,417 -0.179,418 1.756,419 0.103,420 -0.764,421 -0.88,422 -1.786,423 -0.639,424 12.467,425 0.489,426 0.02,427 26.5,428 1.104,429 12,430 0.5,431 14.5,432 0.604,433 22.647,434 0.944,435 26.533,436 0.59,437 16.937,438 5.123,439 0.213,440 6.474,441 0.27,442 0.201,444 0.241,447 0.88,448 1.183,449 0.543,450 0.785,451 0.899,452 1.005,453 0.65,454 0.863,455 0.761,456 0.933,457 1.041,458 0.977,459 0.977,460 1.217,461 1.139,462 1.092,463 1.003,464 1.216,465 1.083,466 0.739,467 0.908,468 1.196,469 1.021,470 1.055,471 0.934,472 0.991,473 0.945,474 0.843,475 0.917,476 0.984,477 0.874,478 0.796,479 1.237,480 0.967,481 7.495}
{0 CHEMBL193845,1 -0.031,2 2.018,3 1.882,4 -0.593,5 1.068,6 0.499,7 0.653,8 0.638,9 0.356,10 0.129,11 0.077,12 0.045,13 45.502,14 0.104,15 0.507,16 0.854,17 0.997,18 0.683,19 1,20 2,21 6.881,22 0.209,23 33.7,24 1.026,25 0.594,26 0.929,27 3.63,28 0.913,29 -0.09,30 0.807,31 65,32 4.171,33 1.141,34 2,35 4,36 1.315,37 4.636,38 456.4,39 7.519,40 1.82,41 12.963,42 1.672,43 2.797,44 108.709,45 9.314,46 0.393,47 3.978,48 4.087,49 3.751,50 3.52,51 5.12,52 3.475,53 4.488,54 4.649,55 4.118,56 3.876,57 5.629,58 3.797,59 4.711,60 4.894,61 4.295,62 3.951,63 5.912,64 3.832,65 4.71,66 4.91,67 3.89,68 3.846,69 5.803,70 3.753,71 4.723,72 4.951,73 4.029,74 3.848,75 5.88,76 3.738,77 4.661,78 4.881,79 3.894,80 3.815,81 5.783,82 3.7,83 4.589,84 4.789,85 3.853,86 3.781,87 5.771,88 3.675,89 4.56,90 4.777,91 3.877,92 3.785,93 5.602,94 3.661,95 0.12,96 0.697,97 8.016,98 4.674,99 14.96,100 5.416,101 0.386,102 1.064,103 19.109,104 7.898,105 35.952,106 9.14,107 0.741,108 1.183,109 11.002,110 77.129,111 11.879,112 0.602,113 1.172,114 28.654,115 9.527,116 69.073,117 11.314,118 0.666,119 1.169,120 35.53,121 9.922,122 84.518,123 12.259,124 0.628,125 1.101,126 40.157,127 9.655,128 11.684,129 0.614,130 1.026,131 26.556,132 8.784,133 72.155,134 10.426,135 0.464,136 1.008,137 9.393,138 51.795,139 10.922,140 33,141 36,142 0.311,143 0.671,144 0.841,145 0.909,146 0.916,147 0.916,148 3.339,149 -1.99,150 -2.04,151 -2.04,152 1,153 36.7,156 1,157 4,164 5,165 1,168 1,169 1,170 2,177 4,180 2,182 2,183 1,184 6,187 1,188 2,191 2,192 2,193 3,194 3,198 1,200 1,205 1,206 2,208 1,210 5,214 1,215 2,216 1,218 4,219 2,223 1,224 2,225 1,226 3,229 2,233 4,236 3,238 5,241 2,244 2,246 3,249 1346,250 17.991,251 17.991,252 17.991,253 17.991,254 17.991,255 16.308,256 22.806,257 10.894,258 18.629,259 13.725,260 13.725,261 13.725,262 13.725,263 13.725,264 11.063,265 25.802,266 5.111,267 14.772,268 3.794,269 1.692,270 0.701,271 0.301,272 0.26,273 0.26,274 4.002,277 1,278 711,279 4.359,280 85.701,281 108.289,283 2.189,284 32.872,287 1,288 0.67,289 0.83,290 1,291 1,292 1,293 1,294 0.93,295 59.25,296 350,297 4.201,298 3.651,299 6.14,300 3.822,301 2.873,302 3.803,303 2.04,304 9.04,305 2.754,306 4.171,307 3.529,308 6.066,309 3.761,310 2.839,311 3.759,312 1.945,313 8.75,314 2.567,315 3.726,316 3.224,317 5.125,318 3.444,319 2.448,320 2.908,321 0.893,322 6.304,323 2.423,324 3.531,325 3.12,326 4.993,327 3.198,328 2.202,329 2.695,330 0.765,331 5.87,332 2.194,333 3.414,334 2.75,335 4.874,336 3.061,337 2.18,338 2.581,339 0.657,340 5.603,341 1.811,342 2.955,343 2.211,344 4.424,345 2.627,346 1.687,347 2.111,348 0.305,349 4.419,350 1.57,351 2.914,352 1.743,353 4.019,354 2.456,355 1.485,356 2.064,357 0.061,358 3.437,359 1.434,360 2.582,361 1.536,362 3.639,363 2.206,364 1.317,365 1.598,366 3.06,367 1.12,368 2.209,369 1.438,370 3.285,371 1.761,372 0.88,373 1.105,374 1.969,375 0.762,376 2.006,377 1.244,378 3.236,379 1.705,380 0.826,381 0.915,382 1.79,383 0.696,384 1.882,385 1.185,386 3.198,387 1.515,388 0.647,389 0.826,390 1.569,391 0.544,392 1.699,393 1.089,394 2.803,395 1.409,396 0.48,397 0.541,398 0.919,399 0.439,400 1.447,401 0.715,402 2.502,403 1.097,404 0.101,405 0.12,406 0.155,407 0.098,408 1.111,409 0.436,410 2.206,411 0.849,412 -0.101,413 -0.115,414 -0.221,415 -0.094,416 0.707,417 0.212,418 2,419 0.358,420 -0.59,421 -0.687,422 -1.364,423 -0.342,424 13.7,425 0.596,426 0.022,427 30.25,428 1.12,429 13.5,430 0.5,431 16.75,432 0.62,433 25.024,434 0.927,435 30.1,436 0.614,437 21.779,438 6.148,439 0.228,440 6.843,441 0.253,442 0.207,444 0.255,447 0.861,448 1.252,449 0.547,450 0.707,451 0.894,452 0.946,453 0.661,454 0.851,455 0.713,456 0.916,457 1.044,458 0.982,459 1.045,460 1.27,461 1.137,462 1.193,463 1.039,464 0.889,465 1.002,466 0.703,467 0.863,468 0.691,469 0.945,470 0.941,471 0.951,472 1.015,473 0.998,474 0.933,475 0.991,476 1.105,477 0.872,478 0.8,479 1.23,480 0.975,481 6.921}
{0 CHEMBL194037,1 -0.014,2 2.013,3 1.811,4 -0.481,5 1.143,6 0.442,7 0.679,8 0.684,9 0.381,10 0.142,11 0.087,12 0.055,13 36.568,14 0.151,15 0.539,16 0.758,17 1.07,18 0.714,19 1,20 2,21 6.881,22 0.23,23 23.145,24 0.919,25 0.288,26 0.92,27 3.227,28 0.91,29 -0.119,30 0.624,31 24.813,32 4.17,33 1.035,34 2,35 4,36 1.293,37 4.172,38 342.28,39 5.984,40 1.721,41 8.895,42 3.126,43 9.771,44 82.801,45 9.779,46 0.55,47 3.642,48 3.738,49 3.488,50 3.273,51 4.724,52 3.195,53 4.141,54 4.289,55 3.866,56 3.64,57 5.167,58 3.526,59 4.323,60 4.5,61 4.073,62 3.702,63 5.35,64 3.54,65 4.359,66 4.568,67 3.569,68 3.561,69 5.332,70 3.423,71 4.355,72 4.593,73 3.643,74 3.529,75 5.28,76 3.346,77 4.26,78 4.533,79 3.374,80 3.412,81 5.063,82 3.2,83 4.003,84 4.225,85 3.382,86 3.287,87 5.023,88 3.118,89 3.9,90 4.103,91 3.45,92 3.251,93 4.929,94 3.082,95 0.039,96 0.456,97 5.141,98 3.527,99 8.868,100 4.122,101 0.155,102 0.738,103 13.511,104 6.193,105 16.414,106 6.882,107 0.239,108 0.847,109 8.787,110 25.284,111 9.152,112 0.28,113 0.888,114 20.966,115 7.599,116 28.24,117 8.829,118 0.273,119 0.86,120 26.706,121 7.936,122 32.006,123 9.335,124 0.256,125 0.771,126 36.186,127 7.954,128 9.299,129 0.222,130 0.576,131 18.471,132 5.952,133 25.781,134 7.035,135 0.167,136 0.527,137 5.975,138 20.672,139 6.293,140 11,141 26,142 0.32,143 0.683,144 0.835,145 0.897,146 0.908,147 0.908,148 3.008,149 -3.52,150 -3.49,151 -3.33,152 1,153 40,156 1,157 2,164 5,165 1,168 1,169 1,177 4,180 2,183 1,184 6,188 2,192 1,193 3,194 3,198 1,200 1,210 3,218 2,219 2,224 1,226 2,229 2,233 2,236 1,238 5,246 3,249 410,250 12.853,251 12.853,252 12.853,253 12.853,254 12.853,255 11.48,256 16.456,257 7.739,258 13.471,259 9.793,260 9.793,261 9.793,262 9.793,263 9.793,264 7.735,265 21.121,266 3.566,267 10.797,268 3.409,269 1.461,270 0.639,271 0.307,272 0.25,273 0.25,274 3.665,276 1,277 1,278 350,279 3,280 57.934,281 70.019,283 1.291,284 14.428,286 1,287 1,288 1,289 1,290 1,291 0.5,292 1,293 1,294 0.93,295 40.25,296 169,297 4.195,298 3.224,299 6.13,300 3.812,301 2.87,302 3.8,303 0.86,304 8.981,305 2.747,306 4.17,307 3.128,308 6.066,309 3.759,310 2.828,311 3.759,312 0.765,313 8.75,314 2.566,315 3.414,316 2.75,317 4.993,318 3.062,319 2.197,320 2.581,321 0.657,322 5.87,323 1.812,324 2.956,325 2.175,326 4.415,327 2.632,328 1.698,329 2.111,331 4.346,332 1.572,333 2.917,334 1.707,335 4.018,336 2.457,337 1.487,338 2.072,340 3.421,341 1.436,342 2.582,343 1.527,344 3.63,345 2.206,346 1.317,347 1.598,349 3.038,350 1.12,351 2.209,352 1.202,353 3.285,354 1.728,355 0.877,356 1.104,358 1.962,359 0.71,360 1.981,361 0.94,362 3.202,363 1.516,364 0.652,365 0.873,366 1.579,367 0.545,368 1.646,369 0.714,370 2.724,371 1.369,372 0.49,373 0.554,374 0.786,375 0.426,376 1.014,377 0.305,378 2.427,379 0.789,380 -0.131,381 -0.143,382 -0.261,383 -0.119,384 0.59,385 -0.037,386 2,387 0.227,388 -0.695,389 -0.798,390 -1.418,391 -0.343,392 0.489,393 -0.3,394 1.803,395 0.083,396 -0.767,397 -0.881,398 -1.786,399 -0.639,400 0.429,401 -0.687,402 1.601,403 -0.154,404 -0.897,405 -1.192,406 -2.084,407 -0.871,408 0.035,409 -0.837,410 1.392,411 -0.397,412 -1.254,413 -1.437,414 -3.25,415 -1.118,416 -0.273,417 -1.261,418 1.192,419 -0.481,420 -1.448,421 -1.701,422 -4.003,423 -1.306,424 10.233,425 0.383,426 0.02,427 21.75,428 1.145,429 10.5,430 0.553,431 11.25,432 0.592,433 16.634,434 0.875,435 20.367,436 0.582,437 11.852,438 4.192,439 0.221,440 5.01,441 0.264,442 0.212,444 0.244,447 0.944,448 1.058,449 0.524,450 1.011,451 0.838,452 1.23,453 0.643,454 0.76,455 1.004,456 0.835,457 0.978,458 1.185,459 1.079,460 1.17,461 1.199,462 1.151,463 1.039,464 0.975,465 1.12,466 0.72,467 0.924,468 1.109,469 1.076,470 0.822,471 0.797,472 1.028,473 0.943,474 0.687,475 0.916,476 0.75,477 0.82,478 0.77,479 0.899,480 0.865,481 7.301}
{0 CHEMBL194518,1 -0.056,2 2.04,3 1.994,4 -4.137,5 0.849,6 0.991,7 1.144,8 0.517,9 0.283,10 0.084,11 0.047,12 0.026,13 17.567,14 0.379,15 0.44,16 1.1,17 1.18,18 0.639,21 3.928,22 0.146,23 15.32,24 0.637,25 0.938,26 1.076,27 2.244,28 0.741,29 -0.137,30 0.986,31 268.494,32 3.86,33 0.462,34 1,35 6,36 1.358,37 7.999,38 361.34,39 5.256,40 1.77,41 10.6,42 4.188,43 17.542,44 82.327,45 8.813,46 0.462,47 3.831,48 3.929,49 3.485,50 3.294,51 5.094,52 3.331,53 4.397,54 4.537,55 3.944,56 3.639,57 6.29,58 3.667,59 4.539,60 4.72,61 3.852,62 3.76,63 5.837,64 3.742,65 4.684,66 4.895,67 3.837,68 3.704,69 6.024,70 3.701,71 4.643,72 4.866,73 3.797,74 3.614,75 5.99,76 3.623,77 4.637,78 4.876,79 3.697,80 3.485,81 6.248,82 3.487,83 4.419,84 4.662,85 3.45,86 3.355,87 5.834,88 3.336,89 4.199,90 4.404,91 3.376,92 3.29,93 5.516,94 3.289,95 0.328,96 0.92,97 6.062,98 4.227,99 59.856,100 4.075,101 1.425,102 1.687,103 15.097,104 6.629,105 214.386,106 6.65,107 0.809,108 1.399,109 8.114,110 103.301,111 9.503,112 1.273,113 1.513,114 24.279,115 8.502,116 176.658,117 9.517,118 1.203,119 1.525,120 23.818,121 8.024,122 179.987,123 9.068,124 1.746,125 1.284,126 27.141,127 7.506,128 8.205,129 1.3,130 1.025,131 22.02,132 6.343,133 183.588,134 7.02,135 0.839,136 0.95,137 5.666,138 139.675,139 5.851,140 42,141 36,142 0.317,143 0.61,144 0.766,145 0.871,146 0.912,147 0.912,148 3.266,149 -4.78,150 -4.69,151 -4.4,153 41.5,157 2,159 1,160 1,164 8,165 3,177 10,180 2,183 2,184 10,188 2,192 1,193 4,194 5,198 1,200 1,210 5,211 1,218 2,219 3,223 1,224 1,226 2,229 6,233 2,236 1,238 8,241 2,246 7,249 890,250 16.024,251 16.024,252 16.024,253 16.024,254 16.024,255 14.612,256 19.996,257 9.524,258 16.735,259 12.84,260 12.84,261 12.84,262 12.84,263 12.84,264 10.711,265 25.539,266 4.509,267 14.093,268 3.588,269 1.948,270 1.08,271 0.494,272 0.262,273 0.262,274 3.924,277 1,278 539,279 4.243,281 187.339,283 1.568,284 55.848,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 60,296 265,297 4.461,298 4.461,299 7.118,300 4.188,301 3.323,302 3.887,303 3.825,304 11.698,305 2.937,306 4.206,307 3.514,308 6.156,309 3.826,310 2.87,311 3.806,312 2.621,313 9.114,314 2.752,315 3.946,316 3.155,317 6.02,318 3.701,319 2.747,320 3.19,321 0.765,322 8.564,323 2.567,324 3.211,325 2.982,326 4.766,327 2.941,328 2.138,329 2.289,330 0.657,331 5.364,332 1.758,333 3.13,334 2.184,335 4.688,336 2.803,337 1.878,338 2.26,339 0.302,340 5.029,341 1.671,342 2.938,343 2.008,344 4.191,345 2.548,346 1.591,347 2.104,349 3.908,350 1.513,351 2.75,352 1.592,353 4.072,354 2.33,355 1.385,356 1.816,358 3.436,359 1.275,360 2.601,361 1.476,362 3.616,363 2.245,364 1.288,365 1.632,366 2.996,367 1.217,368 2.539,369 1.233,370 3.484,371 2.089,372 1.109,373 1.552,374 2.52,375 1.076,376 2.015,377 1.062,378 3.238,379 1.763,380 0.826,381 0.956,382 1.881,383 0.769,384 1.312,385 0.606,386 2.74,387 1.044,388 0.131,389 0.149,390 0.304,391 0.118,392 0.852,393 0.51,394 2.631,395 0.572,396 -0.327,397 -0.358,398 -0.785,399 -0.289,400 0.721,401 0.51,402 2.404,403 0.312,404 -0.66,405 -0.862,406 -1.594,407 -0.639,408 0.598,409 0.51,410 2,411 0.16,412 -0.823,413 -0.981,414 -1.96,415 -0.7,416 0.453,417 0.181,418 2,419 0.095,420 -0.851,421 -1,422 -2,423 -0.7,424 10.995,425 0.816,426 0.033,427 28,428 1.12,429 12.5,430 0.5,431 15.5,432 0.62,433 19.74,434 0.79,435 29.805,436 0.727,437 24.651,438 6.215,439 0.249,440 5.555,441 0.222,442 0.16,443 0.045,444 0.273,445 5,447 0.647,448 0.923,449 0.633,450 0.666,451 0.957,452 0.518,453 0.789,454 0.929,455 0.486,456 1.007,457 0.54,458 0.818,459 1.153,460 0.9,461 0.936,462 0.819,463 1.098,464 0.922,465 1.036,466 0.95,467 1.113,468 0.886,469 1.077,470 1.074,471 0.903,472 1.161,473 0.85,474 1.095,475 0.975,476 1.062,477 0.726,478 0.736,479 1.138,480 0.892,481 6.585}
{0 CHEMBL195704,1 -0.166,2 2.04,3 1.994,4 -0.882,5 0.887,6 1.123,7 0.812,8 0.548,9 0.296,10 0.089,11 0.051,12 0.029,13 19.209,14 0.325,15 0.453,16 1.101,17 1.194,18 0.642,21 3.925,22 0.154,23 18.729,24 0.702,25 0.66,26 1.12,27 2.205,28 0.812,29 -0.171,30 0.925,31 63.878,32 3.854,33 0.543,34 1,35 6,36 1.372,37 4.863,38 325.36,39 5.078,40 1.667,41 10.478,42 3.366,43 11.333,44 82.318,45 7.936,46 0.5,47 3.808,48 3.916,49 3.389,50 3.298,51 5.002,52 3.303,53 4.353,54 4.509,55 3.804,56 3.643,57 6.026,58 3.639,59 4.528,60 4.714,61 3.786,62 3.763,63 5.775,64 3.723,65 4.665,66 4.884,67 3.677,68 3.701,69 5.931,70 3.649,71 4.599,72 4.857,73 3.389,74 3.589,75 5.687,76 3.484,77 4.42,78 4.698,79 3.281,80 3.462,81 5.319,82 3.348,83 4.345,84 4.565,85 3.497,86 3.374,87 5.908,88 3.332,89 4.284,90 4.525,91 3.306,92 3.303,93 5.633,94 3.258,95 0.154,96 0.752,97 7.614,98 4.158,99 28.209,100 4.631,101 0.883,102 1.481,103 16.424,104 6.526,105 143.433,106 7.473,107 0.448,108 1.282,109 8.073,110 45.429,111 9.979,112 0.802,113 1.362,114 25.074,115 8.442,116 93.39,117 10.194,118 0.753,119 1.117,120 24.885,121 7.739,122 104.489,123 10.193,124 0.472,125 0.879,126 20.599,127 6.694,128 9.609,129 0.903,130 0.923,131 19.001,132 6.293,133 142.537,134 7.839,135 0.779,136 0.931,137 5.725,138 99.846,139 6.784,140 30,141 33,142 0.299,143 0.603,144 0.736,145 0.823,146 0.865,147 0.865,148 3.187,149 -4.55,150 -4.47,151 -4.21,153 41.5,156 1,157 2,160 1,164 8,165 3,177 10,180 2,183 2,184 10,188 2,192 1,193 4,194 5,198 1,200 1,210 5,211 1,218 2,219 3,223 1,224 1,226 2,229 6,233 2,236 1,238 8,241 2,246 7,249 731,250 15.032,251 15.032,252 15.032,253 15.032,254 15.032,255 13.62,256 19.267,257 8.82,258 15.546,259 11.75,260 11.75,261 11.75,262 11.75,263 11.75,264 9.6,265 23.602,266 4.043,267 12.573,268 3.69,269 1.988,270 1.247,271 0.759,272 0.525,273 0.525,274 3.845,276 1,277 1,278 493,279 3.873,281 174,283 1.762,284 39.643,285 1,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 53,296 241,297 4.444,298 4.46,299 7.111,300 4.174,301 3.315,302 3.852,303 3.825,304 11.658,305 2.903,306 4.192,307 3.166,308 6.13,309 3.81,310 2.842,311 3.8,312 0.86,313 8.981,314 2.747,315 3.982,316 3.115,317 6.017,318 3.724,319 2.76,320 3.27,321 0.765,322 8.538,323 2.621,324 3.128,325 2.224,326 4.688,327 2.821,328 1.893,329 2.236,330 0.657,331 5.058,332 1.729,333 2.948,334 2.119,335 4.418,336 2.612,337 1.672,338 2.105,340 4.352,341 1.557,342 2.917,343 1.681,344 4.147,345 2.457,346 1.485,347 2.069,349 3.618,350 1.436,351 2.6,352 1.505,353 3.632,354 2.276,355 1.323,356 1.619,358 3.05,359 1.242,360 2.5,361 1.18,362 3.414,363 2,364 1,365 1.5,366 2.275,367 1,368 2.047,369 1,370 3.266,371 1.796,372 0.863,373 0.991,374 1.95,375 0.799,376 1.656,377 0.94,378 2.809,379 1.381,380 0.499,381 0.563,382 0.799,383 0.435,384 1.05,385 0.51,386 2.679,387 0.824,388 -0.108,389 -0.119,390 -0.217,391 -0.1,392 0.818,393 0.51,394 2.401,395 0.452,396 -0.51,397 -0.631,398 -1.19,399 -0.485,400 0.586,401 0.31,402 2,403 0.211,404 -0.709,405 -0.809,406 -1.443,407 -0.642,408 0.5,409 -0.116,410 2,411 0.079,412 -0.897,413 -1,414 -2.084,415 -0.7,416 0.457,417 -0.302,418 2,420 -1,421 -1,422 -3,423 -0.7,424 10.424,425 0.672,426 0.029,427 26.5,428 1.152,429 12.5,430 0.543,431 14,432 0.609,433 17.494,434 0.761,435 26.776,436 0.653,437 21.284,438 5.8,439 0.252,440 5.114,441 0.222,442 0.162,443 0.048,444 0.24,445 3,447 0.665,448 0.958,449 0.718,450 0.672,451 0.983,452 0.624,453 0.808,454 0.944,455 0.459,456 0.954,457 0.634,458 0.955,459 1.124,460 1.047,461 1.035,462 0.959,463 1.149,464 0.898,465 0.824,466 1.088,467 0.973,468 0.867,469 1.071,470 0.475,471 0.615,472 0.727,473 0.879,474 0.403,475 0.899,476 0.685,477 0.874,478 0.942,479 0.715,480 0.941,481 5}
{0 CHEMBL195716,1 -0.108,2 2.041,3 2.005,4 -0.6,5 0.935,6 1.121,7 0.983,8 0.573,9 0.312,10 0.094,11 0.053,12 0.029,13 25.966,14 0.039,15 0.478,16 1.062,17 1.156,18 0.664,21 3.917,22 0.17,23 25.924,24 1.032,25 0.653,26 1.086,27 2.836,28 1.033,29 -0.129,30 0.947,31 36.698,32 3.854,33 1.003,34 2,35 5,36 1.377,37 4.366,38 363.49,39 6.305,40 1.376,41 12.407,42 3.991,43 15.93,44 107.42,45 6.99,46 0.621,47 4.025,48 4.134,49 3.53,50 3.575,51 5.111,52 3.542,53 4.529,54 4.687,55 3.804,56 3.92,57 5.556,58 3.863,59 4.756,60 4.95,61 3.861,62 4.025,63 5.757,64 3.937,65 4.832,66 5.056,67 3.741,68 3.967,69 5.774,70 3.856,71 4.807,72 5.051,73 3.683,74 3.937,75 5.728,76 3.816,77 4.741,78 4.981,79 3.652,80 3.938,81 5.638,82 3.813,83 4.729,84 4.963,85 3.66,86 3.939,87 5.697,88 3.811,89 4.714,90 4.972,91 3.557,92 3.875,93 5.598,94 3.738,95 0.046,96 0.666,97 11.351,98 5.126,99 11.851,100 6.566,101 0.184,102 1.055,103 20.168,104 8.087,105 23.864,106 10.467,107 0.234,108 1.285,109 10.313,110 36.69,111 13.739,112 0.351,113 1.345,114 29.199,115 10.618,116 44.834,117 14.301,118 0.417,119 1.317,120 28.803,121 10.335,122 47.94,123 14.235,124 0.311,125 1.255,126 26.454,127 10.01,128 13.805,129 0.323,130 1.233,131 25.986,132 10.154,133 45.591,134 13.945,135 0.242,136 1.218,137 9.755,138 36.822,139 13.638,140 6,141 37,142 0.23,143 0.509,144 0.682,145 0.815,146 0.884,147 0.893,148 3.339,149 -4.51,150 -4.43,151 -4.17,153 44.2,156 1,157 3,164 13,165 3,177 14,180 5,183 2,184 14,188 6,192 1,193 4,194 7,198 4,200 1,203 2,206 1,208 1,210 4,211 7,216 1,218 3,219 12,223 1,224 1,226 4,229 13,233 3,236 3,238 11,241 2,244 2,246 7,249 1230,250 18.698,251 18.698,252 18.698,253 18.698,254 18.698,255 16.496,256 22.357,257 11.493,258 19.08,259 14.276,260 14.276,261 14.276,262 14.276,263 14.276,264 11.025,265 30.069,266 5.392,267 14.809,268 4.325,269 2.657,270 1.623,271 0.827,272 0.414,273 0.361,274 4.027,276 1,277 1,278 711,279 3.391,281 290.393,283 1.904,284 19.043,286 1,287 1,288 1,289 0.83,290 0.8,291 0.5,292 1,293 1,294 0.88,295 57.5,296 335,297 4.202,298 3.202,299 6.14,300 3.835,301 2.866,302 3.805,303 1.151,304 9.042,305 2.778,306 4.15,307 3.163,308 6.062,309 3.804,310 2.833,311 3.72,312 0.86,313 8.753,314 2.745,315 3.887,316 2.759,317 5.338,318 3.493,319 2.5,320 3.44,321 0.765,322 6.957,323 2.481,324 3.549,325 2.73,326 5.248,327 3.252,328 2.317,329 2.779,330 0.657,331 6.559,332 2.158,333 3.002,334 2.152,335 4.445,336 2.685,337 1.743,338 2.162,340 4.488,341 1.637,342 2.95,343 1.787,344 4.152,345 2.536,346 1.567,347 2.117,349 3.757,350 1.517,351 2.859,352 1.629,353 3.668,354 2.42,355 1.447,356 2.006,358 3.178,359 1.402,360 2.794,361 1.504,362 3.599,363 2.402,364 1.414,365 1.891,366 3.02,367 1.389,368 2.544,369 1.316,370 3.488,371 2.15,372 1.168,373 1.556,374 2.584,375 1.145,376 2.5,377 1.067,378 3.247,379 2,380 1,381 1.5,382 2.136,383 1,384 2.043,385 1,386 3.24,387 1.773,388 0.833,389 0.978,390 1.895,391 0.778,392 1.831,393 0.957,394 3.07,395 1.534,396 0.626,397 0.736,398 1.427,399 0.562,400 1.583,401 0.935,402 2.697,403 1.292,404 0.427,405 0.479,406 0.621,407 0.366,408 1.163,409 0.355,410 2.563,411 0.917,412 -0.03,413 -0.034,414 -0.069,415 -0.028,416 0.821,417 -0.114,418 2.24,419 0.501,420 -0.454,421 -0.535,422 -1.059,423 -0.428,424 12.9,425 0.414,426 0.015,427 35.25,428 1.306,429 19,430 0.704,431 16.25,432 0.602,433 19.877,434 0.736,435 29.1,436 0.56,437 25.564,438 7.484,439 0.277,440 5.774,441 0.214,442 0.065,444 0.233,447 0.946,448 1.137,449 0.873,450 1.008,451 0.971,452 1.324,453 1.062,454 1.007,455 1.078,456 0.994,457 1.057,458 1.184,459 1.103,460 1.322,461 1.131,462 1.264,463 1.079,464 1.132,465 0.963,466 1.018,467 0.916,468 1.129,469 0.942,470 0.979,471 0.926,472 1.006,473 0.927,474 0.938,475 0.96,476 0.842,477 1.023,478 1.004,479 1.142,480 1.013,481 7.081}
{0 CHEMBL195834,1 0.006,2 2.027,3 1.969,4 -0.499,5 1.128,6 0.44,7 0.609,8 0.658,9 0.376,10 0.139,11 0.082,12 0.049,13 50.935,14 0.099,15 0.518,16 0.92,17 0.94,18 0.677,19 1,20 2,21 6.881,22 0.225,23 33.078,24 1.027,25 0.351,26 0.969,27 4.278,28 0.846,29 -0.133,30 0.632,31 35.745,32 4.171,33 1.031,34 2,35 4,36 1.297,37 4.35,38 441.43,39 8.083,40 1.681,41 12.269,42 2.952,43 8.716,44 109.895,45 8.655,46 0.393,47 4.021,48 4.13,49 3.753,50 3.572,51 5.005,52 3.511,53 4.591,54 4.762,55 4.114,56 3.957,57 5.529,58 3.862,59 4.823,60 5.036,61 4.269,62 4.061,63 5.724,64 3.905,65 4.821,66 5.06,67 3.845,68 3.964,69 5.65,70 3.807,71 4.84,72 5.102,73 3.936,74 3.91,75 5.662,76 3.747,77 4.694,78 4.94,79 3.794,80 3.848,81 5.524,82 3.69,83 4.58,84 4.806,85 3.836,86 3.871,87 5.496,88 3.732,89 4.636,90 4.848,91 3.905,92 3.942,93 5.514,94 3.784,95 0.037,96 0.709,97 10.155,98 5.262,99 7.906,100 6.455,101 0.275,102 1.158,103 23.984,104 8.861,105 22.676,106 10.652,107 0.551,108 1.342,109 12.484,110 39.422,111 14.531,112 0.329,113 1.33,114 33.92,115 11.624,116 32.405,117 15.018,118 0.464,119 1.279,120 42.323,121 11.697,122 43.151,123 14.795,124 0.491,125 1.143,126 42.369,127 10.37,128 13.009,129 0.32,130 1.093,131 27.133,132 9.324,133 31.814,134 12.063,135 0.205,136 1.151,137 10.674,138 25.513,139 13.183,140 5,141 36,142 0.286,143 0.601,144 0.76,145 0.848,146 0.873,147 0.873,148 3.303,149 -3.1,150 -3.09,151 -2.98,152 1,153 37.3,157 8,164 5,165 1,168 1,169 1,177 4,180 2,183 1,184 6,187 2,188 2,192 1,193 3,194 3,198 1,200 1,206 2,210 3,214 1,215 2,218 2,219 2,223 1,224 2,226 2,229 2,233 4,236 1,238 5,241 2,246 3,249 1186,250 17.828,251 17.828,252 17.828,253 17.828,254 17.828,255 16.455,256 24.64,257 10.991,258 18.683,259 13.848,260 13.848,261 13.848,262 13.848,263 13.848,264 11.813,265 31.904,266 5.245,267 15.291,268 3.991,269 2.144,270 1.213,271 0.696,272 0.549,273 0.549,274 3.988,277 1,278 679,279 3.391,280 80.097,281 190.464,283 2.115,284 21.082,287 1,288 1,289 0.83,290 1,291 1,292 1,293 1,294 0.98,295 55.75,296 319,297 4.199,298 3.225,299 6.138,300 3.818,301 2.872,302 3.802,303 0.86,304 9.034,305 2.751,306 4.17,307 3.15,308 6.066,309 3.76,310 2.836,311 3.759,312 0.86,313 8.75,314 2.566,315 3.52,316 2.885,317 5.34,318 3.431,319 2.517,320 2.581,321 0.8,322 6.964,323 2.297,324 3.414,325 2.75,326 4.993,327 3.062,328 2.197,329 2.521,330 0.765,331 5.87,332 1.813,333 2.971,334 2.281,335 4.456,336 2.675,337 1.757,338 2.113,339 0.657,340 4.52,341 1.599,342 2.932,343 2.128,344 4.021,345 2.509,346 1.568,347 2.095,349 3.464,350 1.477,351 2.582,352 1.755,353 3.69,354 2.37,355 1.461,356 1.598,358 3.216,359 1.311,360 2.549,361 1.54,362 3.62,363 2.206,364 1.318,365 1.55,366 3.049,367 1.12,368 2.211,369 1.293,370 3.287,371 1.952,372 1,373 1.122,374 2.199,375 0.946,376 2.122,377 1.256,378 3.28,379 1.914,380 1,381 1.073,382 2.136,383 0.903,384 2,385 1.193,386 3.247,387 1.717,388 0.874,389 1,390 1.954,391 0.7,392 1.944,393 0.715,394 3.2,395 1.513,396 0.645,397 0.85,398 1.573,399 0.543,400 1.288,401 0.482,402 2.654,403 1.071,404 0.148,405 0.163,406 0.342,407 0.136,408 0.904,409 0.205,410 2.45,411 0.711,412 -0.201,413 -0.214,414 -0.465,415 -0.181,416 0.589,417 -0.037,418 2,419 0.319,420 -0.608,421 -0.658,422 -1.362,423 -0.343,424 13.467,425 0.452,426 0.017,427 27,428 1.038,429 10.5,430 0.404,431 16.5,432 0.635,433 26.228,434 1.009,435 29.133,436 0.571,437 16.431,438 5.189,439 0.2,440 7.531,441 0.29,442 0.124,444 0.215,447 0.938,448 1.32,449 0.545,450 0.96,451 0.962,452 1.403,453 0.66,454 0.817,455 1.052,456 0.914,457 1.118,458 0.98,459 1.014,460 0.88,461 1.182,462 0.944,463 1.066,464 1.108,465 0.949,466 0.655,467 0.803,468 1.081,469 0.896,470 1.019,471 0.89,472 0.99,473 0.912,474 0.802,475 0.924,476 0.659,477 0.862,478 0.786,479 0.752,480 0.919,481 7.745}
{0 CHEMBL195936,1 -0.011,2 2.019,3 1.851,4 -0.551,5 1.114,6 0.469,7 0.567,8 0.645,9 0.371,10 0.139,11 0.083,12 0.05,13 45.089,14 0.001,15 0.517,16 0.805,17 0.981,18 0.692,19 1,20 2,21 6.881,22 0.223,23 32.116,24 1.092,25 0.316,26 0.865,27 3.574,28 0.873,29 -0.043,30 0.689,31 35.069,32 4.171,33 0.998,34 2,35 4,36 1.313,37 4.636,38 414.35,39 7.126,40 1.734,41 11.583,42 3.151,43 9.931,44 98.34,45 9.417,46 0.44,47 3.869,48 3.961,49 3.657,50 3.453,51 5.001,52 3.395,53 4.378,54 4.52,55 4.031,56 3.821,57 5.559,58 3.722,59 4.634,60 4.827,61 4.19,62 3.883,63 5.689,64 3.739,65 4.613,66 4.821,67 3.771,68 3.752,69 5.636,70 3.641,71 4.585,72 4.796,73 3.884,74 3.767,75 5.668,76 3.625,77 4.543,78 4.783,79 3.695,80 3.764,81 5.412,82 3.594,83 4.496,84 4.722,85 3.748,86 3.727,87 5.541,88 3.587,89 4.47,90 4.686,91 3.812,92 3.674,93 5.588,94 3.548,95 0.099,96 0.574,97 7.142,98 4.541,99 15.893,100 5.115,101 0.305,102 0.922,103 16.519,104 7.808,105 46.152,106 8.831,107 0.502,108 1.088,109 11.048,110 59.024,111 11.725,112 0.521,113 1.075,114 27.58,115 9.223,116 57.326,117 10.767,118 0.636,119 1.038,120 30.724,121 9.267,122 69.984,123 11.042,124 0.351,125 1.017,126 38.261,127 9.725,128 11.958,129 0.358,130 0.956,131 26.02,132 8.924,133 41.109,134 11.081,135 0.361,136 0.911,137 9.031,138 47.303,139 10.225,140 22,141 32,142 0.305,143 0.692,144 0.866,145 0.912,146 0.92,147 0.92,148 3.227,149 -3.37,150 -3.35,151 -3.21,152 1,153 38.6,155 2,157 3,164 5,165 1,168 1,169 1,170 1,175 1,176 1,177 5,178 1,180 4,182 1,183 2,184 6,185 1,188 4,192 1,193 4,194 3,198 1,199 1,200 1,203 2,205 1,208 1,210 3,211 4,218 3,219 5,220 2,223 2,224 1,226 5,229 3,230 2,233 4,236 3,237 1,238 5,239 1,241 1,242 1,243 1,244 2,246 3,249 956,250 15.966,251 15.966,252 15.966,253 15.966,254 15.966,255 14.386,256 20.677,257 9.839,258 16.548,259 12.348,260 12.348,261 12.348,262 12.348,263 12.348,264 9.992,265 25.484,266 4.694,267 13.387,268 3.726,269 1.527,270 0.537,271 0.273,272 0.227,273 0.227,274 3.89,277 1,278 567,279 3.873,280 75.015,281 93.56,283 1.917,284 27.624,287 1,288 0.83,289 0.83,290 1,291 1,292 1,293 1,294 0.95,295 52.25,296 278,297 4.199,298 3.596,299 6.138,300 3.818,301 2.872,302 3.802,303 2.341,304 9.034,305 2.751,306 4.17,307 3.225,308 6.066,309 3.76,310 2.835,311 3.759,312 0.86,313 8.75,314 2.566,315 3.549,316 3.145,317 4.993,318 3.235,319 2.232,320 2.71,321 0.765,322 5.87,323 2.213,324 3.414,325 2.75,326 4.661,327 3.062,328 2.197,329 2.581,330 0.657,331 5.187,332 1.813,333 2.979,334 2.274,335 4.455,336 2.683,337 1.758,338 2.115,340 4.52,341 1.608,342 2.935,343 1.802,344 4.021,345 2.508,346 1.542,347 2.103,349 3.461,350 1.483,351 2.582,352 1.561,353 3.655,354 2.244,355 1.323,356 1.598,358 3.104,359 1.222,360 2.45,361 1.458,362 3.433,363 2.197,364 1.246,365 1.428,366 2.661,367 1.118,368 2.208,369 1.2,370 3.285,371 1.724,372 0.876,373 1.101,374 1.96,375 0.706,376 1.967,377 0.985,378 3.202,379 1.514,380 0.648,381 0.862,382 1.578,383 0.544,384 1.584,385 0.715,386 2.724,387 1.35,388 0.421,389 0.467,390 0.908,391 0.385,392 1.1,393 0.48,394 2.471,395 0.876,396 -0.066,397 -0.072,398 -0.148,399 -0.061,400 0.734,401 0.303,402 2,403 0.445,404 -0.501,405 -0.553,406 -1.148,407 -0.34,408 0.49,409 -0.036,410 1.956,411 0.121,412 -0.762,413 -0.879,414 -1.786,415 -0.469,416 0.479,417 -0.123,418 1.758,419 0.029,420 -0.853,421 -0.986,422 -1.966,423 -0.813,424 12.4,425 0.527,426 0.022,427 26.25,428 1.094,429 12,430 0.5,431 14.25,432 0.594,433 22.742,434 0.948,435 26.6,436 0.605,437 16.525,438 5.011,439 0.209,440 6.547,441 0.273,442 0.188,444 0.242,447 0.895,448 1.083,449 0.542,450 0.839,451 0.87,452 0.842,453 0.652,454 0.903,455 0.585,456 0.987,457 1.091,458 1.074,459 1.022,460 1.186,461 1.089,462 0.975,463 0.975,464 0.849,465 1.038,466 0.745,467 0.891,468 0.851,469 1.055,470 0.63,471 0.973,472 0.985,473 1.015,474 0.429,475 1.035,476 0.608,477 0.957,478 0.81,479 0.578,480 0.928,481 7.602}
{0 CHEMBL195974,1 -0.009,2 2.028,3 1.951,4 -0.516,5 1.07,6 0.466,7 0.614,8 0.639,9 0.357,10 0.126,11 0.075,12 0.044,13 41.295,14 -0.016,15 0.525,16 0.769,17 1.042,18 0.722,19 1,20 2,21 6.881,22 0.211,23 29.467,24 1.074,25 0.462,26 0.937,27 3.804,28 0.894,29 -0.095,30 0.774,31 27.384,32 4.171,33 1.068,34 2,35 4,36 1.325,37 4.3,38 419.37,39 7.39,40 1.7,41 11.6,42 3.987,43 15.899,44 104.885,45 9.531,46 0.63,47 3.877,48 3.975,49 3.696,50 3.52,51 4.975,52 3.456,53 4.372,54 4.511,55 4.066,56 3.884,57 5.434,58 3.789,59 4.595,60 4.782,61 4.232,62 3.938,63 5.629,64 3.797,65 4.589,66 4.799,67 3.787,68 3.793,69 5.555,70 3.673,71 4.569,72 4.794,73 3.898,74 3.795,75 5.512,76 3.658,77 4.516,78 4.748,79 3.776,80 3.801,81 5.416,82 3.656,83 4.455,84 4.659,85 3.801,86 3.805,87 5.497,88 3.673,89 4.46,90 4.675,91 3.786,92 3.784,93 5.42,94 3.624,95 0.037,96 0.583,97 6.486,98 4.177,99 9.797,100 4.915,101 0.135,102 0.953,103 14.931,104 7.242,105 18.084,106 8.178,107 0.336,108 1.141,109 10.544,110 35.247,111 11.322,112 0.32,113 1.125,114 25.413,115 9.401,116 34.507,117 10.901,118 0.322,119 1.084,120 30.588,121 9.517,122 36.821,123 11.12,124 0.264,125 1.052,126 36.905,127 9.499,128 11.286,129 0.28,130 0.996,131 21.966,132 8.251,133 33.646,134 10.206,135 0.21,136 0.99,137 9.187,138 29.025,139 10.723,140 5,141 35,142 0.295,143 0.644,144 0.81,145 0.904,146 0.923,147 0.923,148 3.266,149 -3.64,150 -3.61,151 -3.44,152 1,153 43.2,157 3,164 8,165 1,166 1,167 1,168 1,169 1,177 6,180 4,183 1,184 7,187 1,188 4,192 1,193 3,194 3,198 2,200 1,206 3,210 3,211 2,215 2,218 2,219 6,223 1,224 2,226 3,229 7,233 2,236 2,238 8,244 1,246 4,249 1033,250 17.121,251 17.121,252 17.121,253 17.121,254 17.121,255 14.996,256 19.688,257 10.505,258 17.747,259 13.348,260 13.348,261 13.348,262 13.348,263 13.348,264 10.269,265 25.782,266 5.018,267 14.468,268 3.76,269 1.747,270 0.79,271 0.244,272 0.136,273 0.136,274 3.951,277 1,278 619,279 3.24,280 76.278,281 177.796,283 1.856,284 18.726,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 52.75,296 290,297 4.203,298 3.227,299 6.14,300 3.823,301 2.874,302 3.805,303 1.151,304 9.042,305 2.754,306 4.171,307 3.172,308 6.066,309 3.761,310 2.84,311 3.759,312 0.765,313 8.75,314 2.567,315 3.887,316 2.766,317 5.338,318 3.462,319 2.5,320 3.44,321 0.657,322 6.957,323 2.401,324 3.414,325 2.736,326 4.993,327 3.062,328 2.197,329 2.581,331 5.87,332 1.812,333 2.998,334 2.149,335 4.441,336 2.655,337 1.722,338 2.161,340 4.469,341 1.593,342 2.942,343 1.747,344 4.02,345 2.515,346 1.543,347 2.11,349 3.451,350 1.495,351 2.857,352 1.567,353 3.666,354 2.397,355 1.414,356 2.004,358 3.154,359 1.385,360 2.582,361 1.495,362 3.598,363 2.205,364 1.316,365 1.598,366 3.011,367 1.12,368 2.5,369 1.201,370 3.285,371 1.959,372 1,373 1.5,374 2.136,375 0.956,376 2.209,377 1,378 3.247,379 1.731,380 0.878,381 1.105,382 1.965,383 0.713,384 1.997,385 0.957,386 3.204,387 1.536,388 0.666,389 0.886,390 1.597,391 0.564,392 1.821,393 0.714,394 3.067,395 1.499,396 0.607,397 0.723,398 1.408,399 0.531,400 1.152,401 0.354,402 2.53,403 0.898,404 -0.039,405 -0.044,406 -0.089,407 -0.036,408 0.806,409 -0.036,410 2.222,411 0.479,412 -0.459,413 -0.539,414 -1.068,415 -0.339,416 0.56,417 -0.114,418 2,419 0.153,420 -0.758,421 -0.879,422 -1.734,423 -0.432,424 13.133,425 0.452,426 0.018,427 31.75,428 1.27,429 16.5,430 0.66,431 15.25,432 0.61,433 21.32,434 0.853,435 25.867,436 0.588,437 19.355,438 6.156,439 0.246,440 6.065,441 0.243,442 0.127,444 0.228,447 0.921,448 1.068,449 0.523,450 0.984,451 0.819,452 1.195,453 0.66,454 0.868,455 1.008,456 0.933,457 1.08,458 1.092,459 1.059,460 1.339,461 1.128,462 1.178,463 1.024,464 1.188,465 1.012,466 0.732,467 0.877,468 1.134,469 0.969,470 0.911,471 0.908,472 1.016,473 0.959,474 0.717,475 0.933,476 0.746,477 0.907,478 0.815,479 0.854,480 0.967,481 7.367}
{0 CHEMBL196339,1 -0.036,2 2.038,3 1.993,4 -0.605,5 0.963,6 0.941,7 0.805,8 0.584,9 0.321,10 0.098,11 0.056,12 0.031,13 26.8,14 -0.035,15 0.492,16 0.909,17 1.13,18 0.691,19 1,20 1,21 4.008,22 0.181,23 24.589,24 1.1,25 0.535,26 0.987,27 2.9,28 0.991,29 -0.045,30 0.912,31 34.583,32 3.892,33 0.987,34 2,35 5,36 1.371,37 4.322,38 367.9,39 6.52,40 1.455,41 11.731,42 4.672,43 21.828,44 105.762,45 7.665,46 0.643,47 3.946,48 4.052,49 3.531,50 3.552,51 5.037,52 3.509,53 4.444,54 4.591,55 3.845,56 3.912,57 5.498,58 3.841,59 4.711,60 4.907,61 3.887,62 4.008,63 5.726,64 3.9,65 4.751,66 4.977,67 3.758,68 3.905,69 5.707,70 3.784,71 4.684,72 4.918,73 3.718,74 3.86,75 5.661,76 3.737,77 4.622,78 4.86,79 3.633,80 3.866,81 5.531,82 3.734,83 4.577,84 4.797,85 3.652,86 3.874,87 5.561,88 3.746,89 4.587,90 4.821,91 3.569,92 3.833,93 5.524,94 3.692,95 0.038,96 0.598,97 9.54,98 4.547,99 10.336,100 5.818,101 0.117,102 0.965,103 17.51,104 7.466,105 19.202,106 9.567,107 0.219,108 1.204,109 10.231,110 36.912,111 13.335,112 0.343,113 1.233,114 28.926,115 10.278,116 44.56,117 13.27,118 0.371,119 1.162,120 28.889,121 9.661,122 49.212,123 12.605,124 0.28,125 1.107,126 26.979,127 9.329,128 12.537,129 0.245,130 1.066,131 22.84,132 9.163,133 34.912,134 12.352,135 0.183,136 1.066,137 9.253,138 33.236,139 12.397,140 5,141 36,142 0.247,143 0.522,144 0.675,145 0.821,146 0.89,147 0.9,148 3.303,149 -5.31,150 -5.2,151 -4.86,153 45.8,157 3,164 13,165 3,177 14,180 3,183 2,184 16,188 4,192 1,193 4,194 9,198 3,200 1,203 3,206 1,210 5,211 7,218 4,219 12,223 1,224 1,226 4,229 13,233 2,236 3,238 12,241 1,244 2,246 8,249 1128,250 17.828,251 17.828,252 17.828,253 17.828,254 17.828,255 15.574,256 19.645,257 10.991,258 18.167,259 13.848,260 13.848,261 13.848,262 13.848,263 13.848,264 10.603,265 25.722,266 5.246,267 14.46,268 4.129,269 2.513,270 1.617,271 0.756,272 0.349,273 0.292,274 3.99,275 1,277 1,278 649,279 3.24,281 277.928,283 1.905,284 19.05,286 1,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 54.833,296 305,297 4.202,298 3.213,299 6.14,300 3.828,301 2.863,302 3.805,303 1.151,304 9.042,305 2.762,306 4.134,307 3.169,308 6.052,309 3.791,310 2.824,311 3.702,312 0.765,313 8.696,314 2.726,315 3.887,316 2.808,317 5.338,318 3.493,319 2.5,320 3.44,321 0.657,322 6.957,323 2.481,324 3.494,325 2.749,326 5.001,327 3.124,328 2.232,329 2.728,331 5.922,332 1.941,333 3.001,334 2.152,335 4.443,336 2.673,337 1.734,338 2.162,340 4.48,341 1.618,342 2.947,343 1.774,344 4.106,345 2.528,346 1.557,347 2.116,349 3.668,350 1.509,351 2.858,352 1.612,353 3.668,354 2.402,355 1.414,356 2.005,358 3.174,359 1.392,360 2.766,361 1.503,362 3.598,363 2.368,364 1.414,365 1.857,366 3.018,367 1.305,368 2.544,369 1.292,370 3.476,371 2.137,372 1.157,373 1.556,374 2.559,375 1.122,376 2.5,377 1.064,378 3.247,379 2,380 1,381 1.5,382 2.136,383 1,384 2.042,385 1,386 3.236,387 1.772,388 0.832,389 0.976,390 1.893,391 0.776,392 1.831,393 0.957,394 3.069,395 1.534,396 0.626,397 0.736,398 1.427,399 0.562,400 1.164,401 0.356,402 2.575,403 0.917,404 -0.03,405 -0.034,406 -0.069,407 -0.028,408 0.931,409 0.208,410 2.24,411 0.505,412 -0.402,413 -0.504,414 -0.893,415 -0.255,416 0.811,417 -0.114,418 2,419 0.406,420 -0.459,421 -0.542,422 -1.069,423 -0.429,424 12.781,425 0.452,426 0.017,427 34,428 1.308,429 18.5,430 0.712,431 15.5,432 0.596,433 19.431,434 0.747,435 27.419,436 0.571,437 23.716,438 7.072,439 0.272,440 5.648,441 0.217,442 0.082,444 0.235,447 0.865,448 1.059,449 0.686,450 0.937,451 0.885,452 1.098,453 0.848,454 0.997,455 0.937,456 1.015,457 1.045,458 1.174,459 1.094,460 1.405,461 1.083,462 1.225,463 1.009,464 1.249,465 0.971,466 0.994,467 0.943,468 1.151,469 0.947,470 0.969,471 0.887,472 1.02,473 0.943,474 0.885,475 0.947,476 0.653,477 1.029,478 0.998,479 0.747,480 1.011,481 7.509}
{0 CHEMBL196724,1 -0.034,2 2.018,3 1.959,4 -0.585,5 1.015,6 0.491,7 0.566,8 0.612,9 0.338,10 0.108,11 0.061,12 0.035,13 45.159,14 0.079,15 0.51,16 0.79,17 1.017,18 0.72,19 1,20 2,21 6.881,22 0.19,23 31.788,24 0.999,25 0.546,26 0.964,27 4.858,28 0.844,29 -0.127,30 0.915,31 47.272,32 4.171,33 0.921,34 2,35 4,36 1.398,37 4.686,38 501.43,39 8.936,40 1.734,41 13.323,42 3.807,43 14.492,44 124.048,45 9.643,46 0.5,47 4.06,48 4.149,49 3.877,50 3.691,51 5.199,52 3.649,53 4.582,54 4.712,55 4.283,56 4.088,57 5.714,58 4.022,59 4.828,60 4.996,61 4.464,62 4.167,63 5.984,64 4.076,65 4.856,66 5.033,67 4.121,68 4.04,69 6.111,70 3.971,71 4.816,72 5.009,73 4.106,74 3.984,75 5.987,76 3.879,77 4.734,78 4.964,79 3.916,80 3.957,81 5.662,82 3.817,83 4.701,84 4.924,85 4.003,86 3.942,87 5.762,88 3.843,89 4.63,90 4.808,91 4.093,92 3.974,93 5.788,94 3.889,95 0.086,96 0.691,97 6.918,98 4.881,99 13.735,100 5.421,101 0.323,102 1.164,103 16.623,104 8.524,105 25.713,106 9.349,107 0.485,108 1.4,109 12.688,110 46.723,111 13.313,112 0.659,113 1.436,114 28.874,115 11.372,116 97.266,117 12.297,118 0.769,119 1.347,120 33.864,121 11.302,122 95.084,123 12.354,124 0.414,125 1.284,126 41.723,127 11.56,128 13.745,129 0.502,130 1.232,131 30.94,132 10.502,133 49.569,134 12.607,135 0.393,136 1.13,137 10.241,138 49.651,139 11.11,140 17,141 47,142 0.287,143 0.632,144 0.765,145 0.856,146 0.875,147 0.875,148 3.471,149 -4.14,150 -4.09,151 -3.87,152 1,153 44.2,157 4,164 9,165 3,168 1,169 1,170 2,177 10,179 2,180 6,183 1,184 12,187 1,188 8,192 1,193 3,194 6,197 1,198 7,200 1,205 2,206 6,210 3,215 4,218 2,219 2,223 7,224 2,226 2,229 6,233 6,236 1,238 13,241 2,242 2,244 2,246 13,249 1784,250 21.035,251 21.035,252 21.035,253 21.035,254 21.035,255 18.776,256 23.941,257 12.463,258 21.678,259 16.744,260 16.744,261 16.744,262 16.744,263 16.744,264 13.253,265 28.966,266 5.861,267 17.846,268 3.967,269 1.89,270 1.087,271 0.538,272 0.423,273 0.423,274 4.166,278 897,279 3.674,280 163.204,281 204.636,282 136.828,283 2.227,284 37.971,287 0.75,288 0.83,289 0.67,290 0.7,291 0.5,292 0.83,293 1,294 0.75,295 66.75,296 413,297 4.586,298 3.952,299 6.964,300 4.291,301 3.301,302 4.146,303 1.349,304 11.689,305 3.262,306 4.198,307 3.256,308 6.138,309 3.817,310 2.872,311 3.802,312 0.86,313 9.034,314 2.75,315 4.17,316 3.225,317 6.066,318 3.76,319 2.834,320 3.759,321 0.8,322 8.75,323 2.566,324 3.539,325 3.146,326 5.685,327 3.201,328 2.239,329 2.812,330 0.765,331 7.257,332 2.148,333 3.441,334 2.75,335 5.491,336 3.066,337 2.197,338 2.65,339 0.657,340 6.426,341 2.093,342 3.414,343 2.446,344 4.993,345 3.062,346 2.026,347 2.581,349 5.87,350 1.813,351 2.98,352 2.268,353 4.459,354 2.674,355 1.746,356 2.116,358 4.525,359 1.603,360 2.936,361 1.91,362 4.021,363 2.508,364 1.54,365 2.105,366 3.462,367 1.486,368 2.812,369 1.698,370 3.749,371 2.392,372 1.403,373 1.927,374 3.15,375 1.383,376 2.582,377 1.532,378 3.641,379 2.207,380 1.318,381 1.598,382 3.033,383 1.121,384 2.48,385 1.35,386 3.618,387 2.048,388 1.077,389 1.387,390 2.447,391 1.036,392 2.359,393 1.261,394 3.499,395 1.942,396 0.914,397 1.293,398 2.21,399 0.934,400 2.207,401 1.223,402 3.285,403 1.722,404 0.876,405 1.1,406 1.959,407 0.703,408 1.969,409 1.174,410 3.203,411 1.514,412 0.647,413 0.858,414 1.576,415 0.543,416 1.71,417 0.715,418 2.988,419 1.312,420 0.337,421 0.419,422 0.798,423 0.321,424 15.8,425 0.716,426 0.023,427 39,428 1.258,429 19.5,430 0.629,431 19.5,432 0.629,433 28.139,434 0.908,435 32.2,436 0.619,437 28.378,438 7.593,439 0.245,440 7.449,441 0.24,442 0.148,444 0.31,447 0.775,448 1.104,449 0.519,450 0.665,451 0.81,452 0.887,453 0.639,454 0.831,455 0.694,456 0.884,457 1.013,458 1.093,459 0.993,460 1.337,461 1.182,462 1.289,463 1.058,464 1.221,465 1.061,466 0.769,467 0.938,468 1.288,469 1.094,470 0.792,471 1.013,472 0.994,473 1.036,474 0.593,475 1.046,476 0.847,477 0.735,478 0.688,479 0.602,480 0.769,481 6.602}
{0 CHEMBL196793,1 -0.017,2 2.019,3 1.895,4 -0.576,5 1.096,6 0.469,7 0.643,8 0.651,9 0.365,10 0.132,11 0.079,12 0.046,13 46.084,14 0.155,15 0.512,16 0.881,17 1.006,18 0.678,19 1,20 2,21 6.881,22 0.217,23 31.622,24 0.984,25 0.538,26 0.952,27 3.693,28 0.888,29 -0.124,30 0.754,31 58.951,32 4.171,33 0.981,34 2,35 4,36 1.313,37 4.636,38 443.4,39 7.608,40 1.756,41 12.192,42 2.066,43 4.267,44 106.944,45 9.049,46 0.407,47 3.974,48 4.078,49 3.725,50 3.515,51 5.085,52 3.462,53 4.496,54 4.661,55 4.092,56 3.88,57 5.565,58 3.794,59 4.719,60 4.905,61 4.29,62 3.981,63 5.849,64 3.852,65 4.77,66 4.979,67 3.903,68 3.895,69 5.827,70 3.786,71 4.803,72 5.037,73 3.993,74 3.867,75 5.905,76 3.743,77 4.662,78 4.892,79 3.852,80 3.813,81 5.703,82 3.687,83 4.556,84 4.753,85 3.858,86 3.818,87 5.685,88 3.704,89 4.59,90 4.793,91 3.87,92 3.866,93 5.601,94 3.716,95 0.1,96 0.672,97 8.825,98 4.927,99 15.84,100 5.773,101 0.351,102 1.056,103 20.814,104 8.122,105 31.715,106 9.493,107 0.647,108 1.202,109 11.307,110 60.145,111 12.607,112 0.522,113 1.231,114 31.049,115 10.436,116 62.145,117 12.761,118 0.738,119 1.201,120 40.07,121 10.828,122 94.27,123 13.138,124 0.575,125 1.093,126 41.361,127 9.853,128 12.043,129 0.498,130 1.031,131 25.421,132 8.781,133 53.43,134 10.759,135 0.318,136 1.076,137 10.019,138 40.625,139 11.999,140 32,141 35,142 0.302,143 0.662,144 0.844,145 0.906,146 0.913,147 0.913,148 3.303,149 -2.42,150 -2.45,151 -2.4,152 1,153 36.7,156 1,157 5,164 5,165 1,168 1,169 1,170 1,177 4,179 1,180 2,183 1,184 6,187 2,188 2,191 1,192 1,193 3,194 3,198 1,200 1,206 4,208 1,210 3,215 4,216 1,218 2,219 2,223 2,224 3,226 2,229 2,233 2,236 3,238 5,244 2,246 3,249 1178,250 17.336,251 17.336,252 17.336,253 17.336,254 17.336,255 15.833,256 21.303,257 10.536,258 18.021,259 13.248,260 13.248,261 13.248,262 13.248,263 13.248,264 10.933,265 25.887,266 4.89,267 14.437,268 3.859,269 1.764,270 0.701,271 0.342,272 0.301,273 0.301,274 3.965,277 1,278 644,279 4.243,280 81.878,281 103.024,283 2.038,284 30.929,287 1,288 0.83,289 0.83,290 1,291 1,292 1,293 1,294 0.95,295 56.75,296 317,297 4.203,298 3.726,299 6.142,300 3.828,301 2.876,302 3.804,303 2.055,304 9.045,305 2.757,306 4.171,307 3.224,308 6.066,309 3.762,310 2.846,311 3.759,312 0.933,313 8.75,314 2.583,315 3.887,316 3.128,317 5.867,318 3.649,319 2.684,320 3.058,321 0.765,322 7.915,323 2.564,324 3.414,325 2.75,326 4.993,327 3.062,328 2.197,329 2.581,330 0.657,331 5.87,332 1.812,333 2.965,334 2.287,335 4.467,336 2.674,337 1.75,338 2.112,339 0.51,340 4.543,341 1.602,342 2.929,343 2.168,344 4.046,345 2.529,346 1.565,347 2.085,349 3.578,350 1.5,351 2.669,352 1.741,353 3.997,354 2.394,355 1.414,356 1.643,358 3.363,359 1.374,360 2.582,361 1.536,362 3.631,363 2.205,364 1.316,365 1.597,366 3.026,367 1.12,368 2.209,369 1.437,370 3.285,371 1.781,372 0.885,373 1.104,374 1.964,375 0.782,376 1.999,377 1.244,378 3.204,379 1.716,380 0.862,381 0.921,382 1.602,383 0.701,384 1.894,385 1.185,386 3.09,387 1.514,388 0.647,389 0.844,390 1.51,391 0.544,392 1.718,393 0.715,394 2.64,395 1.358,396 0.416,397 0.499,398 0.843,399 0.383,400 1.111,401 0.418,402 2.454,403 0.85,404 -0.092,405 -0.104,406 -0.208,407 -0.085,408 0.705,409 0.052,410 2,411 0.357,412 -0.576,413 -0.589,414 -0.899,415 -0.342,416 0.489,417 -0.037,418 1.962,419 0.283,420 -0.609,421 -0.705,422 -1.37,423 -0.509,424 13.3,425 0.579,426 0.022,427 28,428 1.077,429 12,430 0.462,431 16,432 0.615,433 25.308,434 0.973,435 29.3,436 0.598,437 19.613,438 5.596,439 0.215,440 6.912,441 0.266,442 0.213,444 0.256,447 0.914,448 1.286,449 0.552,450 0.852,451 0.932,452 1.077,453 0.662,454 0.804,455 0.838,456 0.879,457 0.944,458 1.049,459 1.048,460 1.157,461 1.174,462 1.155,463 1.053,464 1.189,465 0.934,466 0.684,467 0.788,468 1.031,469 0.9,470 0.982,471 0.914,472 0.994,473 0.929,474 0.891,475 0.917,476 0.905,477 0.884,478 0.803,479 1.012,480 0.968,481 6.959}
{0 CHEMBL196799,1 -0.009,2 2.016,3 1.815,4 -0.521,5 1.134,6 0.453,7 0.595,8 0.66,9 0.378,10 0.138,11 0.083,12 0.051,13 41.819,14 0.057,15 0.527,16 0.772,17 0.959,18 0.698,19 1,20 2,21 6.881,22 0.227,23 27.855,24 1.031,25 0.316,26 0.902,27 3.324,28 0.878,29 -0.085,30 0.638,31 33.493,32 4.17,33 0.915,34 2,35 4,36 1.281,37 4.317,38 372.31,39 6.352,40 1.736,41 10.143,42 2.587,43 6.69,44 89.094,45 9.546,46 0.5,47 3.754,48 3.848,49 3.562,50 3.346,51 4.853,52 3.28,53 4.257,54 4.399,55 3.931,56 3.712,57 5.317,58 3.607,59 4.483,60 4.674,61 4.127,62 3.768,63 5.549,64 3.615,65 4.437,66 4.644,67 3.662,68 3.641,69 5.413,70 3.518,71 4.448,72 4.667,73 3.787,74 3.663,75 5.422,76 3.512,77 4.45,78 4.693,79 3.592,80 3.615,81 5.377,82 3.44,83 4.352,84 4.591,85 3.541,86 3.496,87 5.423,88 3.335,89 4.166,90 4.392,91 3.542,92 3.41,93 5.148,94 3.241,95 0.079,96 0.512,97 6.326,98 4.025,99 13.127,100 4.574,101 0.209,102 0.818,103 14.967,104 6.918,105 23.922,106 7.653,107 0.48,108 0.948,109 9.841,110 45.351,111 10.348,112 0.348,113 0.939,114 22.827,115 7.996,116 31.92,117 9.472,118 0.313,119 0.934,120 27.218,121 8.383,122 34.786,123 10.037,124 0.307,125 0.913,126 36.859,127 8.931,128 10.653,129 0.438,130 0.793,131 25.313,132 7.719,133 49.146,134 9.21,135 0.275,136 0.669,137 7.238,138 32.208,139 7.963,140 13,141 28,142 0.315,143 0.673,144 0.831,145 0.913,146 0.922,147 0.922,148 3.101,149 -2.95,150 -2.96,151 -2.86,152 1,153 38.5,157 4,164 5,165 1,168 1,169 1,177 4,180 2,183 1,184 6,188 2,191 1,192 1,193 3,194 3,198 1,200 1,210 5,218 4,219 2,224 1,225 1,226 3,229 2,233 2,236 1,238 5,246 3,249 582,250 14.267,251 14.267,252 14.267,253 14.267,254 14.267,255 12.894,256 17.219,257 8.873,258 14.889,259 10.831,260 10.831,261 10.831,262 10.831,263 10.831,264 8.795,265 21.943,266 4.165,267 11.954,268 3.549,269 1.581,270 0.708,271 0.256,272 0.205,273 0.205,274 3.763,276 1,277 1,278 438,279 3.317,280 64.526,281 79.059,283 1.401,284 20.47,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 45.25,296 213,297 4.198,298 3.225,299 6.138,300 3.817,301 2.872,302 3.802,303 0.86,304 9.034,305 2.75,306 4.17,307 3.146,308 6.066,309 3.76,310 2.835,311 3.759,312 0.765,313 8.75,314 2.566,315 3.414,316 2.75,317 4.993,318 3.062,319 2.198,320 2.581,321 0.657,322 5.87,323 1.813,324 2.982,325 2.291,326 4.458,327 2.693,328 1.777,329 2.116,331 4.526,332 1.611,333 2.935,334 1.84,335 4.021,336 2.512,337 1.552,338 2.105,340 3.457,341 1.484,342 2.582,343 1.593,344 3.652,345 2.236,346 1.325,347 1.598,349 3.092,350 1.197,351 2.434,352 1.498,353 3.37,354 2.192,355 1.267,356 1.429,358 2.449,359 1.118,360 2.207,361 1.2,362 3.284,363 1.723,364 0.876,365 1.101,366 1.958,367 0.705,368 1.964,369 0.915,370 3.201,371 1.514,372 0.648,373 0.86,374 1.575,375 0.543,376 1.468,377 0.714,378 2.586,379 1.219,380 0.347,381 0.379,382 0.6,383 0.298,384 1.012,385 0.34,386 2.359,387 0.79,388 -0.116,389 -0.126,390 -0.232,391 -0.104,392 0.637,393 -0.037,394 2,395 0.305,396 -0.604,397 -0.675,398 -1.221,399 -0.342,400 0.489,401 -0.2,402 1.809,403 0.098,404 -0.764,405 -0.88,406 -1.786,407 -0.546,408 0.429,409 -0.647,410 1.601,411 -0.154,412 -0.877,413 -1.096,414 -2.005,415 -0.846,416 0.035,417 -0.831,418 1.426,419 -0.295,420 -1.226,421 -1.433,422 -2.449,423 -1.117,424 11.067,425 0.383,426 0.018,427 23,428 1.095,429 10.5,430 0.5,431 12.5,432 0.595,433 19.156,434 0.912,435 23.133,436 0.593,437 13.391,438 4.446,439 0.212,440 5.757,441 0.274,442 0.181,444 0.226,447 0.989,448 1.064,449 0.537,450 1.046,451 0.85,452 1.164,453 0.661,454 0.843,455 1.004,456 0.935,457 1.003,458 1.04,459 0.986,460 1.04,461 1.158,462 0.849,463 1.002,464 0.861,465 1.158,466 0.73,467 0.956,468 0.857,469 1.09,470 0.819,471 1.018,472 0.979,473 1.039,474 0.746,475 1.051,476 0.925,477 0.774,478 0.699,479 1.099,480 0.853,481 8.097}
{0 CHEMBL196878,1 -0.108,2 2.04,3 2.004,4 -0.611,5 0.935,6 1.121,7 0.912,8 0.573,9 0.312,10 0.094,11 0.053,12 0.03,13 25.966,14 0.039,15 0.478,16 1.062,17 1.156,18 0.664,21 3.917,22 0.17,23 23.57,24 1.032,25 0.542,26 1.086,27 2.863,28 1.033,29 -0.129,30 0.944,31 37.33,32 3.85,33 1.005,34 2,35 5,36 1.379,37 4.393,38 363.49,39 6.305,40 1.376,41 12.481,42 3.991,43 15.93,44 107.42,45 6.99,46 0.621,47 4.025,48 4.134,49 3.53,50 3.575,51 5.111,52 3.542,53 4.529,54 4.687,55 3.804,56 3.92,57 5.556,58 3.863,59 4.756,60 4.95,61 3.861,62 4.025,63 5.757,64 3.937,65 4.832,66 5.056,67 3.741,68 3.967,69 5.776,70 3.856,71 4.807,72 5.051,73 3.662,74 3.929,75 5.737,76 3.804,77 4.738,78 4.989,79 3.592,80 3.904,81 5.613,82 3.771,83 4.674,84 4.911,85 3.617,86 3.879,87 5.637,88 3.756,89 4.63,90 4.866,91 3.583,92 3.827,93 5.6,94 3.713,95 0.046,96 0.666,97 11.351,98 5.126,99 11.851,100 6.566,101 0.184,102 1.055,103 20.168,104 8.087,105 23.864,106 10.467,107 0.234,108 1.285,109 10.313,110 36.583,111 13.739,112 0.351,113 1.345,114 29.199,115 10.618,116 44.61,117 14.301,118 0.414,119 1.316,120 28.797,121 10.333,122 48.904,123 14.235,124 0.326,125 1.239,126 26.654,127 9.944,128 13.783,129 0.309,130 1.147,131 24.684,132 9.728,133 41.806,134 13.294,135 0.204,136 1.1,137 9.164,138 36.827,139 12.452,140 6,141 37,142 0.23,143 0.509,144 0.682,145 0.815,146 0.884,147 0.893,148 3.339,149 -4.51,150 -4.43,151 -4.17,153 44.2,156 1,157 3,164 13,165 3,177 14,180 5,183 2,184 14,188 6,192 1,193 4,194 7,198 4,200 1,203 2,206 1,208 1,210 4,211 7,216 1,218 2,219 12,223 1,224 1,226 3,229 13,233 3,236 4,238 11,241 2,244 4,246 6,249 1245,250 18.698,251 18.698,252 18.698,253 18.698,254 18.698,255 16.496,256 22.357,257 11.489,258 19.08,259 14.276,260 14.276,261 14.276,262 14.276,263 14.276,264 11.025,265 30.069,266 5.382,267 14.809,268 4.325,269 2.657,270 1.623,271 0.827,272 0.414,273 0.361,274 4.027,276 1,277 1,278 715,279 3.391,281 299.913,283 2.241,284 19.039,286 1,287 1,288 1,289 0.83,290 0.8,291 0.5,292 1,293 1,294 0.88,295 57.5,296 337,297 4.193,298 3.203,299 6.13,300 3.834,301 2.863,302 3.8,303 1.151,304 8.981,305 2.778,306 4.155,307 3.127,308 6.063,309 3.796,310 2.826,311 3.724,312 0.86,313 8.764,314 2.739,315 3.897,316 2.929,317 5.394,318 3.52,319 2.54,320 3.442,321 0.765,322 7.087,323 2.494,324 3.547,325 2.56,326 5.212,327 3.236,328 2.288,329 2.782,330 0.657,331 6.544,332 2.153,333 2.974,334 2.178,335 4.42,336 2.672,337 1.729,338 2.122,340 4.376,341 1.628,342 2.924,343 1.792,344 4.158,345 2.513,346 1.545,347 2.094,349 3.773,350 1.497,351 2.917,352 1.634,353 3.641,354 2.459,355 1.484,356 2.073,358 3.138,359 1.437,360 2.784,361 1.533,362 3.628,363 2.396,364 1.414,365 1.882,366 3.054,367 1.382,368 2.544,369 1.3,370 3.489,371 2.149,372 1.167,373 1.556,374 2.594,375 1.144,376 2.5,377 1.067,378 3.247,379 2,380 1,381 1.5,382 2.136,383 1,384 2.034,385 1,386 3.243,387 1.772,388 0.832,389 0.972,390 1.892,391 0.777,392 1.821,393 0.956,394 3.071,395 1.506,396 0.6,397 0.711,398 1.398,399 0.537,400 1.653,401 0.939,402 2.735,403 1.378,404 0.496,405 0.56,406 0.793,407 0.433,408 1.032,409 0.306,410 2.474,411 0.807,412 -0.121,413 -0.133,414 -0.241,415 -0.111,416 0.918,417 -0.092,418 2.298,419 0.553,420 -0.41,421 -0.514,422 -0.988,423 -0.391,424 12.9,425 0.414,426 0.015,427 35.25,428 1.306,429 19,430 0.704,431 16.25,432 0.602,433 19.8,434 0.733,435 29.1,436 0.56,437 25.475,438 7.484,439 0.277,440 5.774,441 0.214,442 0.065,444 0.233,447 0.946,448 1.137,449 0.873,450 1.008,451 0.971,452 1.324,453 1.062,454 1.007,455 1.078,456 0.994,457 1.057,458 1.184,459 1.103,460 1.322,461 1.131,462 1.258,463 1.079,464 1.136,465 0.995,466 1.046,467 0.949,468 1.139,469 0.977,470 0.987,471 0.863,472 0.996,473 0.887,474 0.979,475 0.93,476 0.826,477 0.923,478 0.946,479 1.143,480 0.943,481 5}
{0 CHEMBL196924,1 -0.04,2 2.02,3 1.914,4 -0.562,5 1.097,6 0.517,7 0.595,8 0.643,9 0.366,10 0.133,11 0.08,12 0.048,13 51.571,14 0.065,15 0.507,16 0.896,17 0.976,18 0.672,19 1,20 2,21 6.881,22 0.215,23 38.686,24 1.069,25 0.427,26 0.9,27 3.939,28 0.879,29 -0.062,30 0.765,31 53.373,32 4.171,33 1.151,34 2,35 4,36 1.312,37 4.636,38 484.46,39 8.182,40 1.756,41 14.552,42 2.028,43 4.114,44 118.013,45 8.808,46 0.367,47 4.08,48 4.195,49 3.805,50 3.619,51 5.181,52 3.566,53 4.607,54 4.779,55 4.161,56 3.981,57 5.692,58 3.888,59 4.851,60 5.056,61 4.325,62 4.058,63 5.946,64 3.928,65 4.846,66 5.056,67 3.949,68 3.957,69 5.911,70 3.854,71 4.843,72 5.077,73 4.065,74 3.977,75 5.967,76 3.841,77 4.808,78 5.052,79 3.885,80 3.972,81 5.724,82 3.816,83 4.778,84 5.011,85 3.905,86 3.933,87 5.811,88 3.799,89 4.73,90 4.964,91 3.974,92 3.902,93 5.797,94 3.77,95 0.094,96 0.774,97 10.279,98 5.363,99 13.755,100 6.517,101 0.356,102 1.191,103 23.249,104 9.097,105 36.094,106 11.071,107 0.636,108 1.341,109 12.51,110 72.974,111 14.229,112 0.637,113 1.319,114 33.863,115 10.62,116 76.13,117 13.13,118 0.776,119 1.315,120 39.254,121 11.138,122 98.07,123 14.382,124 0.455,125 1.273,126 44.677,127 11.637,128 14.843,129 0.539,130 1.217,131 33.925,132 10.812,133 67.409,134 13.704,135 0.569,136 1.174,137 10.69,138 64.982,139 13.171,140 35,141 38,142 0.293,143 0.65,144 0.849,145 0.908,146 0.915,147 0.915,148 3.406,149 -2.44,150 -2.47,151 -2.42,152 1,153 36.4,155 2,156 1,157 4,164 5,165 1,168 1,169 1,170 2,177 5,180 4,182 2,183 2,184 6,188 4,191 1,192 2,193 4,194 3,198 1,200 1,203 2,205 2,206 1,208 2,210 4,211 4,215 1,218 4,219 5,223 2,224 1,226 5,229 3,232 1,233 4,234 1,236 3,238 5,241 1,242 1,243 1,244 2,246 3,249 1698,250 19.405,251 19.405,252 19.405,253 19.405,254 19.405,255 17.722,256 25.444,257 11.88,258 20.063,259 14.725,260 14.725,261 14.725,262 14.725,263 14.725,264 12.063,265 28.982,266 5.586,267 15.794,268 4.026,269 1.889,270 0.698,271 0.341,272 0.305,273 0.305,274 4.073,278 858,279 4.583,280 93.512,281 119.004,283 2.464,284 33.563,287 1,288 0.67,289 0.83,290 1,291 1,292 0.83,293 0.5,294 0.83,295 63.25,296 422,297 4.199,298 3.634,299 6.138,300 3.818,301 2.872,302 3.802,303 1.97,304 9.034,305 2.751,306 4.17,307 3.511,308 6.066,309 3.76,310 2.835,311 3.759,312 1.891,313 8.75,314 2.566,315 3.731,316 3.225,317 5.125,318 3.462,319 2.461,320 2.911,321 0.86,322 6.305,323 2.449,324 3.536,325 3.145,326 4.993,327 3.22,328 2.203,329 2.697,330 0.765,331 5.87,332 2.228,333 3.414,334 2.75,335 4.87,336 3.062,337 2.195,338 2.581,339 0.657,340 5.597,341 1.813,342 2.981,343 2.274,344 4.459,345 2.691,346 1.766,347 2.115,348 0.313,349 4.532,350 1.615,351 2.935,352 1.803,353 4.021,354 2.514,355 1.549,356 2.104,357 0.062,358 3.466,359 1.49,360 2.582,361 1.561,362 3.666,363 2.278,364 1.327,365 1.598,366 3.122,367 1.263,368 2.467,369 1.458,370 3.525,371 2.201,372 1.282,373 1.454,374 2.792,375 1.119,376 2.208,377 1.438,378 3.285,379 1.729,380 0.877,381 1.102,382 1.962,383 0.713,384 1.97,385 1.2,386 3.203,387 1.657,388 0.735,389 0.867,390 1.589,391 0.669,392 1.808,393 1.09,394 3.072,395 1.514,396 0.646,397 0.757,398 1.487,399 0.543,400 1.568,401 0.967,402 2.693,403 1.332,404 0.392,405 0.433,406 0.763,407 0.364,408 1.446,409 0.715,410 2.485,411 1.094,412 0.098,413 0.116,414 0.152,415 0.096,416 1.1,417 0.403,418 2.178,419 0.864,420 -0.092,421 -0.104,422 -0.199,423 -0.086,424 14.7,425 0.596,426 0.021,427 31.25,428 1.078,429 13.5,430 0.466,431 17.75,432 0.612,433 28.641,434 0.988,435 32.7,436 0.595,437 22.18,438 6.172,439 0.213,440 7.818,441 0.27,442 0.193,444 0.238,447 0.848,448 1.273,449 0.56,450 0.696,451 0.942,452 0.913,453 0.663,454 0.897,455 0.691,456 0.97,457 1.157,458 1.002,459 1.008,460 1.399,461 1.09,462 1.336,463 1.018,464 0.775,465 0.952,466 0.712,467 0.874,468 0.721,469 0.998,470 0.836,471 0.973,472 0.96,473 1.018,474 0.724,475 1.036,476 0.971,477 0.93,478 0.801,479 0.962,480 0.939,481 7.523}
{0 CHEMBL197046,1 0.005,2 2.02,3 1.878,4 -0.496,5 1.176,6 0.447,7 0.582,8 0.67,9 0.392,10 0.144,11 0.086,12 0.052,13 48.149,14 0.03,15 0.528,16 0.817,17 0.958,18 0.68,19 1,20 2,21 6.881,22 0.237,23 32.987,24 1.074,25 0.316,26 0.856,27 3.597,28 0.826,29 -0.035,30 0.601,31 27.405,32 4.171,33 0.978,34 2,35 4,36 1.284,37 4.351,38 399.39,39 7.124,40 1.664,41 11.435,42 2.939,43 8.639,44 100.26,45 8.682,46 0.458,47 3.896,48 4.016,49 3.624,50 3.478,51 4.925,52 3.397,53 4.422,54 4.594,55 3.98,56 3.852,57 5.383,58 3.726,59 4.675,60 4.904,61 4.167,62 3.916,63 5.595,64 3.742,65 4.65,66 4.887,67 3.737,68 3.787,69 5.555,70 3.646,71 4.625,72 4.866,73 3.845,74 3.795,75 5.538,76 3.631,77 4.578,78 4.83,79 3.664,80 3.786,81 5.381,82 3.599,83 4.515,84 4.755,85 3.685,86 3.759,87 5.437,88 3.586,89 4.508,90 4.755,91 3.721,92 3.732,93 5.411,94 3.55,95 0.053,96 0.633,97 9.351,98 4.695,99 10.798,100 5.888,101 0.147,102 0.995,103 20.409,104 8.229,105 19.709,106 10.059,107 0.333,108 1.149,109 11.522,110 36.691,111 13.252,112 0.352,113 1.121,114 30.019,115 9.524,116 36.563,117 12.015,118 0.38,119 1.084,120 33.71,121 9.594,122 41.925,123 12.11,124 0.265,125 1.041,126 38.776,127 9.894,128 12.456,129 0.255,130 0.993,131 26.743,132 9.08,133 32.673,134 11.721,135 0.219,136 0.988,137 9.355,138 29.885,139 11.493,140 15,141 30,142 0.291,143 0.647,144 0.831,145 0.906,146 0.913,147 0.913,148 3.187,149 -3.43,150 -3.41,151 -3.26,152 1,153 37,155 2,157 4,164 5,165 1,168 1,169 1,172 1,173 1,174 1,177 5,180 3,183 2,184 6,186 1,188 3,192 1,193 4,194 3,196 1,198 1,200 1,203 2,207 1,208 1,210 3,211 4,218 3,219 5,224 1,226 5,229 3,231 2,233 2,236 3,238 5,240 2,243 1,244 2,245 1,246 3,248 1,249 828,250 15.681,251 15.681,252 15.681,253 15.681,254 15.681,255 14.308,256 19.116,257 9.873,258 16.276,259 11.831,260 11.831,261 11.831,262 11.831,263 11.831,264 9.795,265 22.284,266 4.669,267 12.895,268 3.859,269 1.826,270 0.774,271 0.348,272 0.304,273 0.304,274 3.852,277 1,278 538,279 3.606,280 71.491,281 88.687,283 1.845,284 18.933,287 1,288 0.83,289 0.83,290 1,291 1,292 1,293 1,294 0.95,295 48.75,296 263,297 4.199,298 3.225,299 6.138,300 3.817,301 2.872,302 3.802,303 0.86,304 9.034,305 2.751,306 4.17,307 3.146,308 6.066,309 3.76,310 2.835,311 3.759,312 0.765,313 8.75,314 2.566,315 3.414,316 2.75,317 4.993,318 3.063,319 2.198,320 2.581,321 0.657,322 5.87,323 1.816,324 2.994,325 2.281,326 4.461,327 2.787,328 1.842,329 2.12,331 4.543,332 1.734,333 2.938,334 1.842,335 4.022,336 2.595,337 1.636,338 2.107,340 3.498,341 1.555,342 2.701,343 1.647,344 3.725,345 2.449,346 1.476,347 1.712,349 3.278,350 1.429,351 2.582,352 1.528,353 3.608,354 2.206,355 1.317,356 1.598,358 3.016,359 1.12,360 2.21,361 1.254,362 3.285,363 1.944,364 1,365 1.114,366 1.971,367 0.937,368 2.102,369 1.191,370 3.203,371 1.72,372 0.875,373 1.063,374 1.832,375 0.702,376 1.946,377 0.716,378 3.059,379 1.513,380 0.646,381 0.852,382 1.569,383 0.543,384 1.381,385 0.567,386 2.54,387 1.195,388 0.274,389 0.295,390 0.495,391 0.251,392 1.01,393 0.285,394 2.291,395 0.824,396 -0.105,397 -0.113,398 -0.21,399 -0.096,400 0.669,401 -0.037,402 2,403 0.402,404 -0.53,405 -0.577,406 -1.053,407 -0.341,408 0.489,409 -0.21,410 1.816,411 0.114,412 -0.762,413 -0.879,414 -1.781,415 -0.493,416 0.429,417 -0.622,418 1.601,419 -0.039,420 -0.855,421 -0.986,422 -1.815,423 -0.819,424 12.133,425 0.383,426 0.017,427 24,428 1.043,429 10.5,430 0.457,431 13.5,432 0.587,433 22.728,434 0.988,435 25.667,436 0.558,437 13.831,438 4.411,439 0.192,440 6.791,441 0.295,442 0.17,444 0.206,447 1.006,448 1.1,449 0.556,450 1.114,451 0.912,452 1.141,453 0.655,454 0.899,455 0.959,456 0.995,457 1.087,458 1.036,459 0.967,460 1.308,461 1.06,462 1.12,463 0.94,464 1.115,465 0.981,466 0.721,467 0.871,468 1.067,469 0.993,470 0.9,471 0.948,472 0.986,473 1.001,474 0.664,475 1.014,476 0.662,477 1,478 0.837,479 0.711,480 0.976,481 7.658}
{0 CHEMBL197047,1 -0.063,2 2.042,3 1.994,4 -1.248,5 0.887,6 1,7 0.83,8 0.548,9 0.296,10 0.087,11 0.049,12 0.028,13 19.265,14 0.325,15 0.453,16 1.101,17 1.148,18 0.642,21 3.934,22 0.153,23 16.731,24 0.702,25 0.66,26 1.209,27 2.348,28 0.78,29 -0.243,30 0.944,31 134.819,32 3.854,33 0.565,34 1,35 6,36 1.372,37 4.863,38 325.36,39 5.044,40 1.667,41 9.217,42 3.366,43 11.333,44 82.318,45 7.936,46 0.5,47 3.808,48 3.916,49 3.389,50 3.298,51 5.003,52 3.303,53 4.353,54 4.509,55 3.804,56 3.643,57 6.025,58 3.639,59 4.528,60 4.714,61 3.805,62 3.772,63 5.74,64 3.736,65 4.669,66 4.872,67 3.831,68 3.742,69 5.953,70 3.721,71 4.735,72 4.966,73 3.727,74 3.655,75 6.235,76 3.612,77 4.607,78 4.896,79 3.324,80 3.487,81 5.791,82 3.384,83 4.266,84 4.508,85 3.276,86 3.358,87 5.408,88 3.28,89 4.215,90 4.447,91 3.293,92 3.317,93 5.456,94 3.277,95 0.154,96 0.752,97 7.614,98 4.158,99 28.32,100 4.631,101 0.883,102 1.481,103 16.424,104 6.526,105 143.238,106 7.473,107 0.451,108 1.29,109 8.082,110 53.197,111 9.979,112 0.703,113 1.493,114 24.041,115 8.612,116 87.454,117 10.196,118 1.256,119 1.459,120 28.685,121 8.592,122 195.317,123 10.233,124 1.063,125 1.149,126 27.593,127 7.364,128 9.667,129 0.531,130 0.845,131 17.321,132 6.118,133 72.063,134 7.835,135 0.538,136 0.875,137 5.81,138 80.345,139 6.778,140 30,141 33,142 0.299,143 0.603,144 0.74,145 0.824,146 0.88,147 0.9,148 3.187,149 -4.55,150 -4.47,151 -4.21,153 41.5,156 1,157 2,160 1,164 8,165 3,177 10,180 2,183 2,184 10,188 2,192 1,193 4,194 5,198 1,200 1,210 5,211 1,218 2,219 3,223 1,224 1,226 2,229 6,233 2,236 1,238 8,241 2,246 7,249 707,250 15.085,251 15.085,252 15.085,253 15.085,254 15.085,255 13.645,256 17.699,257 8.954,258 15.598,259 11.771,260 11.771,261 11.771,262 11.771,263 11.771,264 9.592,265 22.191,266 4.109,267 12.59,268 3.69,269 1.988,270 1.226,271 0.757,272 0.445,273 0.33,274 3.845,276 1,277 1,278 433,279 3.873,281 168.014,283 1.338,284 42.142,285 1,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 53,296 212,297 4.562,298 4.473,299 7.279,300 4.286,301 3.396,302 4.028,303 3.825,304 12.391,305 3.083,306 4.192,307 3.18,308 6.13,309 3.806,310 2.838,311 3.8,312 0.86,313 8.98,314 2.746,315 3.79,316 3.121,317 6.055,318 3.566,319 2.658,320 2.929,321 0.765,322 8.529,323 2.348,324 3.156,325 2.224,326 4.708,327 2.83,328 1.886,329 2.333,330 0.657,331 4.854,332 1.761,333 2.946,334 2.056,335 4.406,336 2.606,337 1.654,338 2.107,340 4.283,341 1.573,342 2.917,343 1.625,344 3.887,345 2.456,346 1.48,347 2.07,349 3.103,350 1.436,351 2.602,352 1.373,353 3.635,354 2.222,355 1.249,356 1.636,358 2.895,359 1.209,360 2.542,361 1.329,362 3.59,363 2.112,364 1.146,365 1.555,366 2.805,367 1.09,368 2.042,369 1.068,370 3.23,371 1.777,372 0.836,373 0.981,374 1.878,375 0.782,376 1.656,377 0.939,378 2.783,379 1.38,380 0.498,381 0.563,382 0.798,383 0.435,384 1.046,385 0.51,386 2.688,387 0.823,388 -0.108,389 -0.119,390 -0.218,391 -0.1,392 0.786,393 0.51,394 2.415,395 0.422,396 -0.539,397 -0.659,398 -1.3,399 -0.513,400 0.594,401 0.309,402 2,403 0.214,404 -0.709,405 -0.811,406 -1.467,407 -0.643,408 0.572,409 -0.119,410 2,411 0.107,412 -0.884,413 -1,414 -2.084,415 -0.7,416 0.451,417 -0.302,418 2,419 0.074,420 -0.898,421 -1,422 -2.148,423 -0.7,424 10.424,425 0.655,426 0.028,427 26.5,428 1.152,429 12.5,430 0.543,431 14,432 0.609,433 18.015,434 0.783,435 26.776,436 0.653,437 21.722,438 5.816,439 0.253,440 5.115,441 0.222,442 0.162,443 0.048,444 0.24,445 3,447 0.665,448 0.958,449 0.718,450 0.671,451 0.983,452 0.624,453 0.808,454 0.944,455 0.459,456 0.954,457 0.632,458 0.935,459 1.073,460 1,461 1.161,462 0.934,463 1.141,464 1.132,465 1.133,466 1.175,467 1.064,468 1.144,469 1.113,470 1.086,471 0.68,472 1.139,473 0.692,474 1.14,475 0.854,476 0.704,477 0.757,478 0.914,479 0.725,480 0.927,481 5}
{0 CHEMBL197085,1 -0.112,2 2.039,3 1.989,4 -1.062,5 0.875,6 1.095,7 1.088,8 0.529,9 0.292,10 0.088,11 0.05,12 0.028,13 18.303,14 0.308,15 0.451,16 0.985,17 1.205,18 0.647,21 3.925,22 0.153,23 12.589,24 0.745,25 0.764,26 1.057,27 2.044,28 0.818,29 -0.129,30 0.94,31 177.623,32 3.847,33 0.571,34 1,35 7,36 1.391,37 6.449,38 311.33,39 4.899,40 1.702,41 9.727,42 3.115,43 9.706,44 77.549,45 8.193,46 0.522,47 3.742,48 3.846,49 3.338,50 3.244,51 4.983,52 3.254,53 4.266,54 4.41,55 3.776,56 3.601,57 6.011,58 3.599,59 4.495,60 4.685,61 3.738,62 3.706,63 5.797,64 3.667,65 4.608,66 4.835,67 3.612,68 3.597,69 5.913,70 3.555,71 4.481,72 4.729,73 3.474,74 3.457,75 5.687,76 3.411,77 4.385,78 4.616,79 3.438,80 3.344,81 5.94,82 3.303,83 4.273,84 4.52,85 3.282,86 3.249,87 5.713,88 3.203,89 4.013,90 4.216,91 3.146,92 3.174,93 5.306,94 3.135,95 0.19,96 0.723,97 6.734,98 3.825,99 39.85,100 4.074,101 0.811,102 1.447,103 13.647,104 6.114,105 143.381,106 6.796,107 0.506,108 1.229,109 7.734,110 67.618,111 9.471,112 0.879,113 1.268,114 24.127,115 7.827,116 137.347,117 9.322,118 0.708,119 1.1,120 21.754,121 6.78,122 116.973,123 8.561,124 1.008,125 0.975,126 20.279,127 6.24,128 7.458,129 0.891,130 0.897,131 18.896,132 5.543,133 129.465,134 6.617,135 0.436,136 0.73,137 4.814,138 75.656,139 5.483,140 27,141 32,142 0.31,143 0.615,144 0.753,145 0.868,146 0.914,147 0.914,148 3.145,149 -4.31,150 -4.25,151 -4.01,153 42.1,157 2,160 1,164 8,165 3,177 10,183 4,184 10,192 1,193 6,194 5,201 1,210 5,211 1,218 2,219 3,225 1,226 3,229 6,236 3,238 8,244 2,246 7,249 648,250 14.162,251 14.162,252 14.162,253 14.162,254 14.162,255 12.697,256 17.111,257 8.346,258 14.537,259 11.329,260 11.329,261 11.329,262 11.329,263 11.329,264 9.179,265 21.878,266 3.93,267 12.044,268 3.546,269 1.872,270 1.112,271 0.481,272 0.23,273 0.23,274 3.801,276 1,277 1,278 439,279 3.742,281 162.888,283 1.504,284 43.673,285 1,286 1,287 1,288 1,289 1,290 1,291 0.5,292 1,293 1,294 0.93,295 51,296 214,297 4.461,298 4.461,299 7.118,300 4.188,301 3.323,302 3.887,303 3.825,304 11.698,305 2.937,306 4.161,307 3.158,308 6.029,309 3.775,310 2.802,311 3.773,312 0.765,313 8.583,314 2.724,315 3.946,316 3.041,317 6.012,318 3.697,319 2.74,320 3.19,321 0.657,322 8.528,323 2.566,324 3.136,325 2.181,326 4.691,327 2.819,328 1.885,329 2.268,331 5.039,332 1.732,333 2.94,334 1.976,335 4.247,336 2.573,337 1.612,338 2.105,340 4.019,341 1.543,342 2.851,343 1.554,344 4.077,345 2.392,346 1.414,347 1.988,349 3.438,350 1.375,351 2.601,352 1.472,353 3.606,354 2.248,355 1.289,356 1.632,358 2.982,359 1.222,360 2.539,361 1.232,362 3.484,363 2.089,364 1.109,365 1.552,366 2.52,367 1.076,368 2.015,369 1.062,370 3.238,371 1.764,372 0.826,373 0.956,374 1.879,375 0.769,376 1.253,377 0.51,378 2.737,379 0.996,380 0.059,381 0.067,382 0.129,383 0.055,384 0.789,385 0.51,386 2.568,387 0.457,388 -0.475,389 -0.543,390 -1.049,391 -0.434,392 0.706,393 0.434,394 2,395 0.302,396 -0.665,397 -0.864,398 -1.597,399 -0.641,400 0.597,401 -0.105,402 2,403 0.153,404 -0.834,405 -1,406 -2.035,407 -0.7,408 0.452,409 -0.381,410 2,411 0.087,412 -0.875,413 -1,414 -2.406,415 -0.7,417 -0.525,418 2,419 -0.3,420 -1,421 -1.091,422 -3,423 -0.815,424 9.924,425 0.71,426 0.032,427 25.75,428 1.17,429 12.5,430 0.568,431 13.25,432 0.602,433 16.237,434 0.738,435 25.476,436 0.67,437 20.687,438 5.556,439 0.253,440 4.82,441 0.219,442 0.154,443 0.05,444 0.252,445 3,447 0.692,448 0.894,449 0.721,450 0.73,451 0.908,452 0.498,453 0.776,454 1.056,455 0.451,456 1.049,457 0.617,458 0.934,459 1.15,460 1.045,461 0.995,462 1.018,463 1.09,464 0.911,465 0.919,466 0.942,467 0.966,468 0.874,469 0.964,470 0.931,471 0.934,472 1.031,473 0.931,474 0.939,475 0.995,476 1.079,477 0.686,478 0.711,479 1.156,480 0.841,481 7}
{0 CHEMBL197086,1 0.001,2 2.032,3 1.964,4 -0.506,5 1.085,6 0.454,7 0.601,8 0.644,9 0.362,10 0.13,11 0.077,12 0.045,13 42.112,14 0.016,15 0.529,16 0.754,17 1.088,18 0.723,19 1,20 2,21 6.881,22 0.216,23 31.654,24 1.023,25 0.462,26 0.895,27 3.904,28 0.877,29 -0.055,30 0.762,31 25.717,32 4.171,33 1.033,34 2,35 4,36 1.336,37 4.299,38 418.38,39 7.554,40 1.606,41 11.6,42 4.709,43 22.178,44 107.414,45 9.297,46 0.63,47 3.89,48 3.986,49 3.69,50 3.553,51 4.963,52 3.48,53 4.388,54 4.524,55 4.06,56 3.925,57 5.421,58 3.819,59 4.622,60 4.807,61 4.229,62 3.984,63 5.618,64 3.831,65 4.643,66 4.861,67 3.788,68 3.83,69 5.581,70 3.699,71 4.585,72 4.811,73 3.893,74 3.823,75 5.508,76 3.679,77 4.529,78 4.758,79 3.768,80 3.846,81 5.404,82 3.69,83 4.486,84 4.687,85 3.798,86 3.859,87 5.488,88 3.712,89 4.518,90 4.744,91 3.786,92 3.825,93 5.442,94 3.653,95 0.034,96 0.56,97 7.17,98 4.361,99 9.591,100 5.28,101 0.115,102 0.93,103 15.884,104 7.633,105 17.298,106 8.874,107 0.241,108 1.141,109 11.289,110 31.754,111 12.416,112 0.322,113 1.184,114 28.015,115 10.174,116 36.294,117 11.905,118 0.302,119 1.1,120 31.38,121 9.835,122 35.95,123 11.596,124 0.233,125 1.05,126 36.76,127 9.908,128 11.904,129 0.211,130 0.988,131 22.691,132 8.964,133 31.062,134 11.299,135 0.197,136 1.04,137 9.959,138 29.504,139 11.837,140 5,141 35,142 0.277,143 0.591,144 0.735,145 0.836,146 0.884,147 0.894,148 3.266,149 -4.67,150 -4.59,151 -4.32,152 1,153 44.4,157 3,164 10,165 2,168 1,169 1,177 10,180 3,183 1,184 12,188 4,192 1,193 3,194 6,198 3,200 1,203 2,206 1,210 3,211 6,218 3,219 11,224 1,226 4,229 10,233 2,236 3,238 9,244 2,246 4,249 1033,250 17.121,251 17.121,252 17.121,253 17.121,254 17.121,255 14.996,256 19.688,257 10.505,258 17.679,259 13.348,260 13.348,261 13.348,262 13.348,263 13.348,264 10.269,265 25.782,266 5.018,267 14.36,268 3.886,269 2.065,270 1.235,271 0.647,272 0.372,273 0.311,274 3.951,277 1,278 619,279 3.24,280 76.278,281 177.796,283 1.856,284 16.663,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 52.25,296 290,297 4.203,298 3.227,299 6.14,300 3.823,301 2.874,302 3.805,303 1.151,304 9.042,305 2.755,306 4.171,307 3.172,308 6.066,309 3.761,310 2.84,311 3.759,312 0.765,313 8.75,314 2.567,315 3.887,316 2.766,317 5.338,318 3.493,319 2.5,320 3.44,321 0.657,322 6.957,323 2.481,324 3.414,325 2.736,326 4.993,327 3.062,328 2.197,329 2.581,331 5.87,332 1.812,333 2.998,334 2.149,335 4.441,336 2.657,337 1.722,338 2.161,340 4.469,341 1.596,342 2.942,343 1.747,344 4.02,345 2.518,346 1.543,347 2.11,349 3.451,350 1.502,351 2.857,352 1.567,353 3.666,354 2.402,355 1.414,356 2.004,358 3.154,359 1.392,360 2.582,361 1.495,362 3.598,363 2.205,364 1.316,365 1.598,366 3.011,367 1.12,368 2.5,369 1.201,370 3.285,371 2,372 1,373 1.5,374 2.136,375 1,376 2.209,377 1,378 3.247,379 1.731,380 0.878,381 1.105,382 1.965,383 0.713,384 1.997,385 0.957,386 3.204,387 1.541,388 0.666,389 0.886,390 1.597,391 0.567,392 1.821,393 0.714,394 3.067,395 1.501,396 0.607,397 0.723,398 1.408,399 0.533,400 1.152,401 0.354,402 2.53,403 0.901,404 -0.039,405 -0.044,406 -0.089,407 -0.036,408 0.806,409 -0.036,410 2.222,411 0.488,412 -0.459,413 -0.539,414 -1.068,415 -0.339,416 0.56,417 -0.114,418 2,419 0.162,420 -0.758,421 -0.879,422 -1.734,423 -0.435,424 13.233,425 0.452,426 0.018,427 31.25,428 1.25,429 16.5,430 0.66,431 14.75,432 0.59,433 21.614,434 0.865,435 25.767,436 0.573,437 19.06,438 6.071,439 0.243,440 6.149,441 0.246,442 0.126,444 0.227,447 0.917,448 0.98,449 0.527,450 1.001,451 0.817,452 1.174,453 0.66,454 0.871,455 0.998,456 0.946,457 1.057,458 1.19,459 1.097,460 1.424,461 1.107,462 1.195,463 0.978,464 1.236,465 0.982,466 0.732,467 0.855,468 1.165,469 0.945,470 0.892,471 0.87,472 1.015,473 0.957,474 0.708,475 0.94,476 0.656,477 1.034,478 0.874,479 0.789,480 1.018,481 8}
{0 CHEMBL197321,1 -0.03,2 2.02,3 1.929,4 -0.55,5 1.124,6 0.492,7 0.554,8 0.655,9 0.375,10 0.136,11 0.082,12 0.05,13 51.919,14 0.109,15 0.511,16 0.922,17 0.986,18 0.668,19 1,20 2,21 6.881,22 0.224,23 37.07,24 1.033,25 0.372,26 0.904,27 4.04,28 0.859,29 -0.074,30 0.713,31 48.087,32 4.171,33 1.008,34 2,35 4,36 1.31,37 4.636,38 471.46,39 8.271,40 1.694,41 13.714,42 2.422,43 5.864,44 116.248,45 8.572,46 0.379,47 4.077,48 4.187,49 3.78,50 3.615,51 5.148,52 3.553,53 4.615,54 4.79,55 4.136,56 3.985,57 5.632,58 3.885,59 4.858,60 5.065,61 4.321,62 4.084,63 5.888,64 3.946,65 4.898,66 5.116,67 3.955,68 4.007,69 5.925,70 3.889,71 4.908,72 5.145,73 4.031,74 4.013,75 5.978,76 3.859,77 4.85,78 5.112,79 3.841,80 3.98,81 5.681,82 3.8,83 4.793,84 5.046,85 3.871,86 3.909,87 5.742,88 3.764,89 4.678,90 4.902,91 3.958,92 3.877,93 5.732,94 3.752,95 0.075,96 0.749,97 11.054,98 5.62,99 14.302,100 6.857,101 0.318,102 1.183,103 24.775,104 9.314,105 30.822,106 11.398,107 0.532,108 1.362,109 12.808,110 55.731,111 14.898,112 0.571,113 1.382,114 36.174,115 11.518,116 68.868,117 14.519,118 0.776,119 1.364,120 42.431,121 12.13,122 100.002,123 15.542,124 0.399,125 1.304,126 47.121,127 12.384,128 16.035,129 0.508,130 1.201,131 36.545,132 11.155,133 56.765,134 14.273,135 0.491,136 1.117,137 10.274,138 55.33,139 12.473,140 34,141 37,142 0.284,143 0.633,144 0.84,145 0.906,146 0.912,147 0.912,148 3.373,149 -2.87,150 -2.88,151 -2.78,152 1,153 36.4,155 2,156 1,157 5,164 5,165 1,168 1,169 1,170 1,177 5,179 1,180 5,183 1,184 6,188 5,191 1,192 1,193 3,194 3,198 1,200 1,203 2,205 2,208 1,210 4,211 4,218 4,219 5,223 4,224 1,226 3,229 3,233 6,234 1,236 1,238 5,241 2,242 2,244 1,246 3,249 1494,250 18.75,251 18.75,252 18.75,253 18.75,254 18.75,255 17.247,256 23.942,257 11.522,258 19.454,259 14.248,260 14.248,261 14.248,262 14.248,263 14.248,264 11.933,265 29.065,266 5.364,267 15.459,268 4.088,269 2.003,270 0.77,271 0.377,272 0.341,273 0.341,274 4.038,277 1,278 780,279 4.472,280 89.602,281 113.672,283 2.378,284 31.429,287 1,288 0.67,289 0.83,290 1,291 1,292 0.83,293 0.5,294 0.83,295 60.75,296 384,297 4.199,298 3.7,299 6.138,300 3.818,301 2.872,302 3.802,303 1.94,304 9.034,305 2.751,306 4.17,307 3.225,308 6.066,309 3.76,310 2.835,311 3.759,312 0.86,313 8.75,314 2.615,315 3.896,316 3.145,317 5.871,318 3.675,319 2.707,320 3.063,321 0.765,322 7.926,323 2.566,324 3.414,325 2.75,326 4.993,327 3.062,328 2.198,329 2.581,330 0.657,331 5.87,332 1.814,333 2.986,334 2.283,335 4.461,336 2.744,337 1.811,338 2.117,339 0.555,340 4.545,341 1.677,342 2.937,343 2.231,344 4.096,345 2.592,346 1.632,347 2.106,349 3.774,350 1.553,351 2.734,352 1.802,353 4.019,354 2.472,355 1.501,356 1.727,358 3.443,359 1.448,360 2.582,361 1.561,362 3.653,363 2.217,364 1.32,365 1.598,366 3.083,367 1.178,368 2.407,369 1.458,370 3.445,371 2.182,372 1.215,373 1.366,374 2.542,375 1.118,376 2.208,377 1.437,378 3.285,379 1.734,380 0.877,381 1.102,382 1.96,383 0.726,384 1.969,385 1.2,386 3.202,387 1.693,388 0.786,389 0.87,390 1.58,391 0.691,392 1.851,393 0.966,394 2.934,395 1.513,396 0.646,397 0.809,398 1.352,399 0.543,400 1.564,401 0.715,402 2.576,403 1.285,404 0.33,405 0.381,406 0.686,407 0.309,408 1.1,409 0.39,410 2.417,411 0.865,412 -0.084,413 -0.093,414 -0.187,415 -0.078,416 0.73,417 0.043,418 2,419 0.442,420 -0.514,421 -0.564,422 -0.896,423 -0.341,424 14.3,425 0.579,426 0.021,427 29,428 1.036,429 12,430 0.429,431 17,432 0.607,433 28.939,434 1.034,435 31.9,436 0.58,437 19.966,438 5.62,439 0.201,440 7.887,441 0.282,442 0.198,444 0.238,447 0.902,448 1.305,449 0.566,450 0.84,451 0.978,452 1.043,453 0.665,454 0.854,455 0.814,456 0.938,457 1.071,458 1.062,459 1.013,460 1.313,461 1.098,462 1.326,463 1.021,464 0.936,465 0.964,466 0.697,467 0.864,468 1.021,469 1.014,470 0.727,471 0.974,472 0.902,473 0.99,474 0.604,475 1.006,476 0.926,477 0.838,478 0.711,479 0.704,480 0.816,481 7.585}
{0 CHEMBL197348,1 0.007,2 2.014,3 1.812,4 -0.506,5 1.118,6 0.439,7 0.625,8 0.672,9 0.373,10 0.137,11 0.082,12 0.05,13 37.733,14 0.233,15 0.527,16 0.832,17 1.126,18 0.698,19 1,20 2,21 6.881,22 0.226,23 30.405,24 0.841,25 0.316,26 0.841,27 3.291,28 0.931,29 -0.031,30 0.653,31 30.52,32 4.17,33 0.996,34 2,35 4,36 1.292,37 4.174,38 372.31,39 6.331,40 1.736,41 10.143,42 2.977,43 8.864,44 88.654,45 9.546,46 0.5,47 3.754,48 3.847,49 3.571,50 3.334,51 4.837,52 3.272,53 4.27,54 4.415,55 3.932,56 3.692,57 5.322,58 3.593,59 4.405,60 4.578,61 4.122,62 3.761,63 5.431,64 3.609,65 4.488,66 4.705,67 3.672,68 3.631,69 5.449,70 3.513,71 4.434,72 4.648,73 3.791,74 3.624,75 5.397,76 3.486,77 4.415,78 4.649,79 3.581,80 3.59,81 5.306,82 3.422,83 4.289,84 4.508,85 3.531,86 3.524,87 5.275,88 3.356,89 4.251,90 4.497,91 3.548,92 3.444,93 5.164,94 3.267,95 0.061,96 0.511,97 6.158,98 4.026,99 9.658,100 4.581,101 0.375,102 0.807,103 16.505,104 6.875,105 25.136,106 7.427,107 0.275,108 0.91,109 9.308,110 26.544,111 9.832,112 0.41,113 0.962,114 25.388,115 8.344,116 34.685,117 9.733,118 0.335,119 0.907,120 27.23,121 8.155,122 33.401,123 9.556,124 0.401,125 0.87,126 36.253,127 8.514,128 9.937,129 0.305,130 0.767,131 21.741,132 7.493,133 31.54,134 9.045,135 0.313,136 0.732,137 7.687,138 29.744,139 8.629,140 13,141 28,142 0.315,143 0.679,144 0.846,145 0.9,146 0.91,147 0.91,148 3.101,149 -3.36,150 -3.34,151 -3.2,152 1,153 38.5,156 1,157 2,158 1,164 5,165 1,168 1,169 1,177 4,179 1,180 2,183 1,184 6,188 2,192 1,193 3,194 3,198 3,200 1,206 2,210 3,215 1,216 1,218 2,219 2,224 1,226 2,229 2,233 2,236 1,238 5,242 1,246 3,249 582,250 14.267,251 14.267,252 14.267,253 14.267,254 14.267,255 12.894,256 17.981,257 8.873,258 14.823,259 10.831,260 10.831,261 10.831,262 10.831,263 10.831,264 8.795,265 22.184,266 4.165,267 11.838,268 3.549,269 1.547,270 0.625,271 0.327,272 0.276,273 0.276,274 3.763,276 1,277 1,278 438,279 3.317,280 64.526,281 79.059,283 1.401,284 17.811,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 45.25,296 213,297 4.198,298 3.226,299 6.138,300 3.821,301 2.872,302 3.802,303 1.392,304 9.034,305 2.759,306 4.17,307 3.157,308 6.066,309 3.76,310 2.835,311 3.759,312 0.765,313 8.75,314 2.567,315 3.414,316 2.751,317 4.993,318 3.063,319 2.198,320 2.581,321 0.657,322 5.87,323 1.816,324 2.982,325 2.432,326 4.458,327 2.723,328 1.777,329 2.116,330 0.532,331 4.526,332 1.662,333 2.935,334 1.975,335 4.021,336 2.523,337 1.552,338 2.105,340 3.457,341 1.502,342 2.582,343 1.647,344 3.652,345 2.25,346 1.325,347 1.598,349 3.092,350 1.224,351 2.434,352 1.515,353 3.37,354 2.196,355 1.267,356 1.429,358 2.449,359 1.118,360 2.207,361 1.201,362 3.284,363 1.723,364 0.876,365 1.101,366 1.958,367 0.705,368 1.964,369 0.916,370 3.201,371 1.514,372 0.648,373 0.86,374 1.575,375 0.544,376 1.468,377 0.714,378 2.586,379 1.258,380 0.347,381 0.379,382 0.6,383 0.312,384 1.012,385 0.353,386 2.359,387 0.815,388 -0.116,389 -0.126,390 -0.232,391 -0.106,392 0.637,393 -0.036,394 2,395 0.316,396 -0.604,397 -0.675,398 -1.221,399 -0.342,400 0.489,401 -0.116,402 1.809,403 0.099,404 -0.764,405 -0.88,406 -1.786,407 -0.552,408 0.429,409 -0.555,410 1.601,411 -0.154,412 -0.877,413 -1.096,414 -2.005,415 -0.847,416 0.035,417 -0.762,418 1.426,419 -0.287,420 -1.226,421 -1.433,422 -2.449,423 -1.117,424 11.067,425 0.383,426 0.018,427 23.25,428 1.107,429 10.5,430 0.5,431 12.75,432 0.607,433 18.844,434 0.897,435 23.133,436 0.593,437 13.703,438 4.633,439 0.221,440 5.57,441 0.265,442 0.196,444 0.226,447 0.948,448 1.155,449 0.531,450 1.008,451 0.888,452 1.302,453 0.662,454 0.71,455 1.082,456 0.812,457 0.879,458 1.257,459 1.131,460 1.191,461 1.084,462 1.14,463 0.93,464 1.012,465 1.142,466 0.743,467 0.943,468 1.102,469 1.057,470 0.975,471 0.871,472 1.028,473 0.975,474 0.779,475 0.999,476 0.752,477 1.005,478 0.851,479 0.848,480 1.021,481 7.456}
{0 CHEMBL197369,1 -0.013,2 2.018,3 1.822,4 -0.564,5 1.098,6 0.467,7 0.576,8 0.642,9 0.366,10 0.136,11 0.081,12 0.05,13 41.965,14 0.02,15 0.517,16 0.778,17 0.995,18 0.699,19 1,20 2,21 6.881,22 0.218,23 29.483,24 1.068,25 0.372,26 0.864,27 3.417,28 0.897,29 -0.045,30 0.707,31 35.779,32 4.17,33 1.035,34 2,35 4,36 1.313,37 4.636,38 400.32,39 6.772,40 1.771,41 10.913,42 2.83,43 8.01,44 93.585,45 9.764,46 0.458,47 3.807,48 3.894,49 3.626,50 3.396,51 4.965,52 3.342,53 4.305,54 4.437,55 4.007,56 3.761,57 5.523,58 3.67,59 4.549,60 4.729,61 4.17,62 3.817,63 5.648,64 3.682,65 4.526,66 4.72,67 3.751,68 3.688,69 5.658,70 3.579,71 4.495,72 4.714,73 3.832,74 3.715,75 5.464,76 3.572,77 4.486,78 4.718,79 3.702,80 3.7,81 5.454,82 3.547,83 4.435,84 4.65,85 3.733,86 3.617,87 5.603,88 3.503,89 4.348,90 4.541,91 3.71,92 3.531,93 5.581,94 3.406,95 0.114,96 0.535,97 5.954,98 4.175,99 16.831,100 4.549,101 0.321,102 0.855,103 14.193,104 7.166,105 46.192,106 7.822,107 0.514,108 1.003,109 10.235,110 58.316,111 10.374,112 0.67,113 0.996,114 24.341,115 8.475,116 67.234,117 9.725,118 0.411,119 0.977,120 28.273,121 8.76,122 43.795,123 10.419,124 0.358,125 0.96,126 36.927,127 9.218,128 11.042,129 0.431,130 0.876,131 24.878,132 8.226,133 50.819,134 9.697,135 0.539,136 0.779,137 7.974,138 67.69,139 8.313,140 21,141 31,142 0.316,143 0.706,144 0.863,145 0.913,146 0.922,147 0.922,148 3.187,149 -3.14,150 -3.13,151 -3.01,152 1,153 39,155 1,157 3,164 5,165 1,168 1,169 1,170 1,175 1,176 1,177 4,178 1,180 4,182 1,183 2,184 6,188 2,189 1,192 1,193 3,194 3,197 1,198 1,200 2,203 2,210 3,211 2,212 2,215 2,218 5,219 3,220 2,223 2,224 1,226 4,227 1,229 2,230 1,233 3,234 1,235 1,236 2,238 5,244 1,246 3,249 811,250 15.259,251 15.259,252 15.259,253 15.259,254 15.259,255 13.679,256 19.192,257 9.339,258 15.841,259 11.848,260 11.848,261 11.848,262 11.848,263 11.848,264 9.492,265 23.658,266 4.446,267 12.882,268 3.587,269 1.406,270 0.527,271 0.244,272 0.195,273 0.195,274 3.848,277 1,278 513,279 3.742,280 71.408,281 88.57,283 1.664,284 27.24,287 1,288 1,289 0.83,290 1,291 1,292 1,293 1,294 0.98,295 50.25,296 251,297 4.199,298 3.599,299 6.138,300 3.818,301 2.872,302 3.802,303 2.341,304 9.034,305 2.751,306 4.17,307 3.225,308 6.066,309 3.76,310 2.835,311 3.759,312 0.86,313 8.75,314 2.566,315 3.547,316 3.142,317 4.993,318 3.223,319 2.225,320 2.709,321 0.765,322 5.87,323 2.195,324 3.414,325 2.75,326 4.667,327 3.062,328 2.195,329 2.581,330 0.657,331 5.196,332 1.812,333 2.968,334 2.258,335 4.437,336 2.652,337 1.721,338 2.112,340 4.47,341 1.585,342 2.93,343 1.778,344 4.02,345 2.48,346 1.513,347 2.092,349 3.447,350 1.457,351 2.582,352 1.546,353 3.643,354 2.207,355 1.318,356 1.598,358 3.075,359 1.12,360 2.23,361 1.37,362 3.285,363 1.951,364 1,365 1.165,366 2.132,367 0.936,368 2.194,369 1.197,370 3.229,371 1.717,372 0.874,373 1.091,374 1.95,375 0.699,376 1.951,377 0.75,378 3.193,379 1.513,380 0.645,381 0.851,382 1.572,383 0.543,384 1.298,385 0.712,386 2.549,387 1.046,388 0.104,389 0.118,390 0.235,391 0.097,392 0.901,393 0.389,394 2.301,395 0.657,396 -0.275,397 -0.299,398 -0.63,399 -0.249,400 0.589,401 0.134,402 2,403 0.203,404 -0.737,405 -0.839,406 -1.683,407 -0.346,408 0.489,409 -0.037,410 1.816,411 0.085,412 -0.773,413 -0.882,414 -1.788,415 -0.688,416 0.429,417 -0.289,418 1.602,419 -0.021,420 -0.901,421 -1.162,422 -2,423 -0.871,424 11.9,425 0.527,426 0.023,427 25.75,428 1.12,429 12,430 0.522,431 13.75,432 0.598,433 21.009,434 0.913,435 25.3,436 0.617,437 16.264,438 5.011,439 0.218,440 6.047,441 0.263,442 0.196,444 0.252,447 0.904,448 1.061,449 0.536,450 0.848,451 0.839,452 0.86,453 0.654,454 0.881,455 0.597,456 0.96,457 1.133,458 1.087,459 1.038,460 0.977,461 1.082,462 0.878,463 1.005,464 0.767,465 1.088,466 0.732,467 0.919,468 0.616,469 1.055,470 0.662,471 1.008,472 0.982,473 1.039,474 0.527,475 1.038,476 0.848,477 0.939,478 0.785,479 0.908,480 0.888,481 7.237}
{0 CHEMBL197372,1 0.001,2 2.028,3 1.951,4 -0.514,5 1.069,6 0.458,7 0.599,8 0.639,9 0.356,10 0.127,11 0.075,12 0.044,13 40.528,14 0.05,15 0.525,16 0.769,17 1.111,18 0.722,19 1,20 2,21 6.881,22 0.212,23 31.247,24 1.01,25 0.462,26 0.854,27 3.813,28 0.894,29 -0.015,30 0.773,31 26.47,32 4.171,33 1.041,34 2,35 4,36 1.326,37 4.317,38 419.37,39 7.43,40 1.7,41 11.6,42 3.559,43 12.665,44 105.257,45 9.531,46 0.63,47 3.877,48 3.975,49 3.696,50 3.52,51 4.977,52 3.456,53 4.372,54 4.512,55 4.063,56 3.889,57 5.429,58 3.793,59 4.591,60 4.771,61 4.232,62 3.947,63 5.614,64 3.804,65 4.623,66 4.842,67 3.79,68 3.796,69 5.589,70 3.675,71 4.546,72 4.765,73 3.894,74 3.802,75 5.488,76 3.663,77 4.522,78 4.753,79 3.774,80 3.821,81 5.413,82 3.671,83 4.472,84 4.676,85 3.806,86 3.815,87 5.5,88 3.679,89 4.487,90 4.717,91 3.79,92 3.77,93 5.45,94 3.612,95 0.037,96 0.583,97 6.486,98 4.177,99 10.131,100 4.915,101 0.144,102 0.952,103 15.015,104 7.23,105 18.033,106 8.16,107 0.255,108 1.124,109 10.705,110 31.485,111 11.518,112 0.419,113 1.164,114 27.451,115 9.625,116 40.034,117 11.151,118 0.295,119 1.059,120 29.311,121 9.337,122 34.423,123 10.987,124 0.254,125 1.048,126 36.899,127 9.706,128 11.598,129 0.232,130 1,131 22.269,132 8.565,133 32.084,134 10.66,135 0.274,136 1.038,137 9.24,138 32.879,139 10.766,140 5,141 35,142 0.295,143 0.645,144 0.822,145 0.907,146 0.923,147 0.923,148 3.266,149 -3.64,150 -3.61,151 -3.44,152 1,153 43.2,157 3,164 7,165 2,166 2,168 1,169 1,177 6,180 5,183 1,184 7,188 4,192 1,193 3,194 3,197 1,198 2,200 1,203 2,210 3,211 4,215 2,218 3,219 7,223 2,224 1,226 3,229 5,233 3,234 1,236 2,238 6,244 1,246 3,249 1033,250 17.121,251 17.121,252 17.121,253 17.121,254 17.121,255 14.996,256 19.688,257 10.505,258 17.744,259 13.348,260 13.348,261 13.348,262 13.348,263 13.348,264 10.269,265 25.782,266 5.018,267 14.455,268 3.76,269 1.739,270 0.719,271 0.227,272 0.136,273 0.136,274 3.951,277 1,278 619,279 3.24,280 76.278,281 177.796,283 1.856,284 18.448,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 52.75,296 290,297 4.203,298 3.227,299 6.14,300 3.823,301 2.874,302 3.805,303 1.151,304 9.042,305 2.755,306 4.171,307 3.172,308 6.066,309 3.761,310 2.84,311 3.759,312 0.765,313 8.75,314 2.567,315 3.887,316 2.766,317 5.338,318 3.483,319 2.5,320 3.44,321 0.657,322 6.957,323 2.455,324 3.414,325 2.736,326 4.993,327 3.062,328 2.197,329 2.581,331 5.87,332 1.812,333 2.998,334 2.149,335 4.441,336 2.652,337 1.722,338 2.161,340 4.469,341 1.587,342 2.942,343 1.747,344 4.02,345 2.504,346 1.543,347 2.11,349 3.451,350 1.479,351 2.857,352 1.567,353 3.666,354 2.384,355 1.414,356 2.004,358 3.154,359 1.367,360 2.582,361 1.495,362 3.598,363 2.205,364 1.316,365 1.598,366 3.011,367 1.12,368 2.5,369 1.201,370 3.285,371 1.956,372 1,373 1.5,374 2.136,375 0.954,376 2.209,377 1,378 3.247,379 1.731,380 0.878,381 1.105,382 1.965,383 0.713,384 1.997,385 0.957,386 3.204,387 1.538,388 0.666,389 0.886,390 1.597,391 0.565,392 1.821,393 0.714,394 3.067,395 1.5,396 0.607,397 0.723,398 1.408,399 0.532,400 1.152,401 0.354,402 2.53,403 0.898,404 -0.039,405 -0.044,406 -0.089,407 -0.036,408 0.806,409 -0.036,410 2.222,411 0.476,412 -0.459,413 -0.539,414 -1.068,415 -0.339,416 0.56,417 -0.114,418 2,419 0.151,420 -0.758,421 -0.879,422 -1.734,423 -0.43,424 13.133,425 0.452,426 0.018,427 31.75,428 1.27,429 16.5,430 0.66,431 15.25,432 0.61,433 21.34,434 0.854,435 25.867,436 0.588,437 19.335,438 6.152,439 0.246,440 6.069,441 0.243,442 0.127,444 0.228,447 0.921,448 1.068,449 0.523,450 0.975,451 0.819,452 1.209,453 0.662,454 0.845,455 1.017,456 0.916,457 1.065,458 1.206,459 1.119,460 1.375,461 0.997,462 1.193,463 0.953,464 1.105,465 1.016,466 0.745,467 0.905,468 1.114,469 1.001,470 0.858,471 0.896,472 1.007,473 0.972,474 0.688,475 0.954,476 0.694,477 1.073,478 0.873,479 0.798,480 1.013,481 7.745}
{0 CHEMBL197403,1 -0.039,2 2.039,3 1.988,4 -0.976,5 0.895,6 1.027,7 1.152,8 0.537,9 0.298,10 0.091,11 0.052,12 0.029,13 18.169,14 0.308,15 0.457,16 1.006,17 1.182,18 0.652,21 3.923,22 0.159,23 11.684,24 0.725,25 0.764,26 1.025,27 1.989,28 0.827,29 -0.098,30 0.897,31 153.646,32 3.829,33 0.517,35 6,36 1.391,37 4.761,38 295.33,39 4.756,40 1.621,41 9.667,42 3.383,43 11.443,44 75.855,45 7.982,46 0.545,47 3.702,48 3.815,49 3.288,50 3.235,51 4.891,52 3.229,53 4.241,54 4.395,55 3.715,56 3.587,57 5.967,58 3.566,59 4.457,60 4.662,61 3.637,62 3.681,63 5.69,64 3.615,65 4.546,66 4.794,67 3.517,68 3.554,69 5.774,70 3.492,71 4.402,72 4.649,73 3.421,74 3.414,75 5.598,76 3.363,77 4.336,78 4.575,79 3.386,80 3.315,81 5.893,82 3.262,83 4.216,84 4.474,85 3.157,86 3.218,87 5.552,88 3.149,89 3.934,90 4.153,91 3.018,92 3.137,93 5.134,94 3.065,95 0.121,96 0.713,97 6.688,98 3.756,99 28.653,100 4.184,101 0.759,102 1.437,103 13.966,104 6.04,105 135.999,106 6.913,107 0.374,108 1.21,109 7.654,110 45.556,111 9.657,112 0.64,113 1.246,114 23.102,115 7.655,116 102.395,117 9.379,118 0.518,119 1.074,120 19.815,121 6.525,122 87.098,123 8.151,124 0.877,125 0.969,126 19.372,127 6.131,128 7.377,129 0.723,130 0.892,131 17.875,132 5.419,133 100.493,134 6.448,135 0.307,136 0.715,137 4.679,138 55.264,139 5.518,140 18,141 30,142 0.297,143 0.567,144 0.69,145 0.812,146 0.871,147 0.871,148 3.102,149 -4.88,150 -4.79,151 -4.49,153 43.2,157 2,160 1,164 9,165 3,177 12,183 2,184 12,192 1,193 5,194 6,210 5,211 1,218 3,219 4,226 2,229 8,236 1,238 10,246 8,249 586,250 13.662,251 13.662,252 13.662,253 13.662,254 13.662,255 12.25,256 16.439,257 8.207,258 14.004,259 10.868,260 10.868,261 10.868,262 10.868,263 10.868,264 8.795,265 22.146,266 3.907,267 11.512,268 3.588,269 2.113,270 1.44,271 0.777,272 0.453,273 0.453,274 3.759,276 1,277 1,278 418,279 3.674,281 155.471,283 1.524,284 36.616,285 1,286 1,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 48,296 203,297 4.461,298 4.461,299 7.118,300 4.188,301 3.323,302 3.887,303 3.825,304 11.698,305 2.937,306 3.951,307 3.154,308 6.021,309 3.707,310 2.753,311 3.444,312 0.765,313 8.565,314 2.576,315 3.892,316 2.75,317 5.34,318 3.509,319 2.515,320 3.19,321 0.657,322 6.965,323 2.496,324 3.133,325 2.161,326 4.689,327 2.808,328 1.874,329 2.267,331 5.033,332 1.721,333 2.937,334 1.759,335 4.111,336 2.535,337 1.558,338 2.104,340 3.588,341 1.517,342 2.602,343 1.482,344 3.647,345 2.255,346 1.297,347 1.633,349 3.108,350 1.229,351 2.54,352 1.237,353 3.479,354 2.089,355 1.109,356 1.553,358 2.517,359 1.076,360 2.5,361 1.063,362 3.247,363 2,364 1,365 1.5,366 2.136,367 1,368 1.986,369 1,370 3.173,371 1.747,372 0.814,373 0.929,374 1.842,375 0.754,376 1.036,377 0.51,378 2.732,379 0.809,380 -0.141,381 -0.157,382 -0.321,383 -0.132,384 0.733,385 0.51,386 2.502,387 0.321,388 -0.657,389 -0.861,390 -1.586,391 -0.638,392 0.601,393 0.218,394 2,395 0.172,396 -0.81,397 -0.976,398 -1.745,399 -0.7,400 0.5,401 -0.377,402 2,403 0.105,404 -0.846,405 -1,406 -2.347,407 -0.7,408 0.447,409 -0.507,410 1.916,412 -1,413 -1,414 -2.406,415 -0.781,417 -0.619,418 1.625,419 -0.3,420 -1,421 -1.098,422 -3,423 -0.815,424 9.59,425 0.621,426 0.03,427 24.5,428 1.167,429 12,430 0.571,431 12.5,432 0.595,433 15.179,434 0.723,435 24.01,436 0.649,437 18.83,438 5.3,439 0.252,440 4.665,441 0.222,442 0.124,443 0.052,444 0.209,445 3,447 0.617,448 0.896,449 0.712,450 0.664,451 0.936,452 0.472,453 0.815,454 1.037,455 0.427,456 1.063,457 0.557,458 0.913,459 1.152,460 1.007,461 0.987,462 0.967,463 1.029,464 0.93,465 0.954,466 0.931,467 0.999,468 0.897,469 0.973,470 0.921,471 0.938,472 1.01,473 0.932,474 0.921,475 0.982,476 1.186,477 0.689,478 0.709,479 1.268,480 0.853,481 6.796}
{0 CHEMBL197417,1 -0.031,2 2.02,3 1.914,4 -0.561,5 1.11,6 0.488,7 0.592,8 0.653,9 0.37,10 0.134,11 0.081,12 0.048,13 49.186,14 0.131,15 0.511,16 0.903,17 0.994,18 0.672,19 1,20 2,21 6.881,22 0.22,23 32.479,24 1.01,25 0.372,26 0.908,27 3.882,28 0.876,29 -0.081,30 0.733,31 56.276,32 4.171,33 1.035,34 2,35 4,36 1.31,37 4.636,38 457.43,39 7.918,40 1.723,41 12.963,42 2.1,43 4.412,44 111.493,45 8.797,46 0.393,47 4.027,48 4.134,49 3.753,50 3.566,51 5.117,52 3.508,53 4.557,54 4.728,55 4.114,56 3.934,57 5.598,58 3.841,59 4.791,60 4.989,61 4.303,62 4.03,63 5.854,64 3.9,65 4.833,66 5.043,67 3.937,68 3.956,69 5.92,70 3.84,71 4.85,72 5.088,73 4,74 3.956,75 5.89,76 3.806,77 4.803,78 5.061,79 3.833,80 3.893,81 5.699,82 3.737,83 4.65,84 4.874,85 3.89,86 3.831,87 5.746,88 3.716,89 4.587,90 4.786,91 3.928,92 3.864,93 5.671,94 3.741,95 0.087,96 0.711,97 9.953,98 5.274,99 15.082,100 6.318,101 0.334,102 1.12,103 22.826,104 8.719,105 31.463,106 10.454,107 0.541,108 1.281,109 12.032,110 54.903,111 13.644,112 0.691,113 1.304,114 33.308,115 10.848,116 76.115,117 13.527,118 0.6,119 1.292,120 40.366,121 11.725,122 85.88,123 14.821,124 0.532,125 1.213,126 47.315,127 11.473,128 14.408,129 0.554,130 1.081,131 30.494,132 9.524,133 60.049,134 11.952,135 0.439,136 1.068,137 9.583,138 49.367,139 11.345,140 33,141 36,142 0.292,143 0.644,144 0.835,145 0.906,146 0.912,147 0.912,148 3.339,149 -2.65,150 -2.67,151 -2.6,152 1,153 36.5,155 1,156 1,157 5,164 5,165 1,168 1,169 1,170 1,177 4,179 1,180 5,183 1,184 6,188 2,191 1,192 1,193 3,194 3,197 2,198 1,200 1,203 2,208 1,210 4,211 2,215 4,218 3,219 3,223 4,224 2,226 2,229 2,233 4,234 2,236 1,238 5,244 3,246 3,249 1334,250 18.043,251 18.043,252 18.043,253 18.043,254 18.043,255 16.54,256 22.457,257 11.022,258 18.747,259 13.748,260 13.748,261 13.748,262 13.748,263 13.748,264 11.433,265 27.22,266 5.117,267 14.954,268 3.977,269 1.906,270 0.776,271 0.361,272 0.322,273 0.322,274 4.002,277 1,278 711,279 4.359,280 85.719,281 108.337,283 2.189,284 31.23,287 1,288 0.67,289 0.83,290 1,291 1,292 0.83,293 0.5,294 0.83,295 58.75,296 350,297 4.199,298 3.702,299 6.138,300 3.819,301 2.872,302 3.803,303 1.94,304 9.035,305 2.752,306 4.17,307 3.225,308 6.066,309 3.76,310 2.837,311 3.759,312 0.86,313 8.75,314 2.609,315 3.895,316 3.143,317 5.871,318 3.67,319 2.703,320 3.062,321 0.765,322 7.925,323 2.566,324 3.414,325 2.75,326 4.993,327 3.062,328 2.198,329 2.581,330 0.657,331 5.87,332 1.813,333 2.978,334 2.284,335 4.463,336 2.706,337 1.781,338 2.114,339 0.555,340 4.545,341 1.632,342 2.935,343 2.214,344 4.077,345 2.561,346 1.598,347 2.101,349 3.692,350 1.529,351 2.705,352 1.778,353 4.016,354 2.444,355 1.469,356 1.69,358 3.423,359 1.423,360 2.582,361 1.546,362 3.642,363 2.207,364 1.318,365 1.598,366 3.06,367 1.12,368 2.223,369 1.437,370 3.287,371 1.982,372 1.044,373 1.156,374 2.084,375 0.968,376 2.19,377 1.37,378 3.28,379 1.724,380 0.876,381 1.093,382 1.949,383 0.706,384 1.954,385 1.197,386 3.2,387 1.603,388 0.678,389 0.859,390 1.574,391 0.612,392 1.825,393 0.718,394 2.797,395 1.512,396 0.637,397 0.732,398 1.177,399 0.542,400 1.295,401 0.662,402 2.51,403 1.025,404 0.069,405 0.08,406 0.154,407 0.065,408 0.9,409 0.309,410 2.214,411 0.646,412 -0.301,413 -0.336,414 -0.677,415 -0.275,416 0.563,417 -0.036,418 2,419 0.283,420 -0.592,421 -0.597,422 -0.909,423 -0.348,424 13.8,425 0.579,426 0.021,427 28.5,428 1.056,429 12,430 0.444,431 16.5,432 0.611,433 27.106,434 1.004,435 30.6,436 0.588,437 19.796,438 5.62,439 0.208,440 7.387,441 0.274,442 0.205,444 0.246,447 0.907,448 1.296,449 0.559,450 0.845,451 0.956,452 1.058,453 0.663,454 0.83,455 0.826,456 0.91,457 1.101,458 1.071,459 1.022,460 1.169,461 1.079,462 1.28,463 1.043,464 0.919,465 1.045,466 0.68,467 0.902,468 0.897,469 1.021,470 0.999,471 0.861,472 0.911,473 0.882,474 0.735,475 0.887,476 0.896,477 0.889,478 0.731,479 0.864,480 0.833,481 7.602}
{0 CHEMBL2096824,1 -0.009,2 2.016,3 1.815,4 -0.521,5 1.134,6 0.453,7 0.595,8 0.66,9 0.378,10 0.138,11 0.083,12 0.051,13 41.819,14 0.057,15 0.527,16 0.772,17 0.959,18 0.698,19 1,20 2,21 6.881,22 0.227,23 27.855,24 1.031,25 0.316,26 0.902,27 3.324,28 0.878,29 -0.085,30 0.638,31 33.493,32 4.17,33 0.915,34 2,35 4,36 1.281,37 4.317,38 372.31,39 6.352,40 1.736,41 10.143,42 2.587,43 6.69,44 89.094,45 9.546,46 0.5,47 3.754,48 3.848,49 3.562,50 3.346,51 4.853,52 3.28,53 4.257,54 4.399,55 3.931,56 3.712,57 5.317,58 3.607,59 4.483,60 4.674,61 4.127,62 3.768,63 5.549,64 3.615,65 4.437,66 4.644,67 3.662,68 3.641,69 5.413,70 3.518,71 4.448,72 4.667,73 3.787,74 3.663,75 5.422,76 3.512,77 4.45,78 4.693,79 3.592,80 3.615,81 5.377,82 3.44,83 4.352,84 4.591,85 3.541,86 3.496,87 5.423,88 3.335,89 4.166,90 4.392,91 3.542,92 3.41,93 5.148,94 3.241,95 0.079,96 0.512,97 6.326,98 4.025,99 13.127,100 4.574,101 0.209,102 0.818,103 14.967,104 6.918,105 23.922,106 7.653,107 0.48,108 0.948,109 9.841,110 45.351,111 10.348,112 0.348,113 0.939,114 22.827,115 7.996,116 31.92,117 9.472,118 0.313,119 0.934,120 27.218,121 8.383,122 34.786,123 10.037,124 0.307,125 0.913,126 36.859,127 8.931,128 10.653,129 0.438,130 0.793,131 25.313,132 7.719,133 49.146,134 9.21,135 0.275,136 0.669,137 7.238,138 32.208,139 7.963,140 13,141 28,142 0.315,143 0.673,144 0.831,145 0.913,146 0.922,147 0.922,148 3.101,149 -2.95,150 -2.96,151 -2.86,152 1,153 38.5,157 4,164 5,165 1,168 1,169 1,177 4,180 2,183 1,184 6,188 2,191 1,192 1,193 3,194 3,198 1,200 1,210 5,218 4,219 2,224 1,225 1,226 3,229 2,233 2,236 1,238 5,246 3,249 582,250 14.267,251 14.267,252 14.267,253 14.267,254 14.267,255 12.894,256 17.219,257 8.873,258 14.889,259 10.831,260 10.831,261 10.831,262 10.831,263 10.831,264 8.795,265 21.943,266 4.165,267 11.954,268 3.549,269 1.581,270 0.708,271 0.256,272 0.205,273 0.205,274 3.763,276 1,277 1,278 438,279 3.317,280 64.526,281 79.059,283 1.401,284 20.47,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 45.25,296 213,297 4.198,298 3.225,299 6.138,300 3.817,301 2.872,302 3.802,303 0.86,304 9.034,305 2.75,306 4.17,307 3.146,308 6.066,309 3.76,310 2.835,311 3.759,312 0.765,313 8.75,314 2.566,315 3.414,316 2.75,317 4.993,318 3.062,319 2.198,320 2.581,321 0.657,322 5.87,323 1.813,324 2.982,325 2.291,326 4.458,327 2.693,328 1.777,329 2.116,331 4.526,332 1.611,333 2.935,334 1.84,335 4.021,336 2.512,337 1.552,338 2.105,340 3.457,341 1.484,342 2.582,343 1.593,344 3.652,345 2.236,346 1.325,347 1.598,349 3.092,350 1.197,351 2.434,352 1.498,353 3.37,354 2.192,355 1.267,356 1.429,358 2.449,359 1.118,360 2.207,361 1.2,362 3.284,363 1.723,364 0.876,365 1.101,366 1.958,367 0.705,368 1.964,369 0.915,370 3.201,371 1.514,372 0.648,373 0.86,374 1.575,375 0.543,376 1.468,377 0.714,378 2.586,379 1.219,380 0.347,381 0.379,382 0.6,383 0.298,384 1.012,385 0.34,386 2.359,387 0.79,388 -0.116,389 -0.126,390 -0.232,391 -0.104,392 0.637,393 -0.037,394 2,395 0.305,396 -0.604,397 -0.675,398 -1.221,399 -0.342,400 0.489,401 -0.2,402 1.809,403 0.098,404 -0.764,405 -0.88,406 -1.786,407 -0.546,408 0.429,409 -0.647,410 1.601,411 -0.154,412 -0.877,413 -1.096,414 -2.005,415 -0.846,416 0.035,417 -0.831,418 1.426,419 -0.295,420 -1.226,421 -1.433,422 -2.449,423 -1.117,424 11.067,425 0.383,426 0.018,427 23,428 1.095,429 10.5,430 0.5,431 12.5,432 0.595,433 19.156,434 0.912,435 23.133,436 0.593,437 13.391,438 4.446,439 0.212,440 5.757,441 0.274,442 0.181,444 0.226,447 0.989,448 1.064,449 0.537,450 1.046,451 0.85,452 1.164,453 0.661,454 0.843,455 1.004,456 0.935,457 1.003,458 1.04,459 0.986,460 1.04,461 1.158,462 0.849,463 1.002,464 0.861,465 1.158,466 0.73,467 0.956,468 0.857,469 1.09,470 0.819,471 1.018,472 0.979,473 1.039,474 0.746,475 1.051,476 0.925,477 0.774,478 0.699,479 1.099,480 0.853,481 6}
{0 CHEMBL363837,1 -0.073,2 2.054,3 2.02,4 -1.578,5 0.854,6 1.066,7 1.166,8 0.523,9 0.285,10 0.084,11 0.046,12 0.025,13 23.535,14 0.351,15 0.448,16 1.03,17 1.224,18 0.656,21 3.973,22 0.147,23 25.456,24 0.656,25 2.021,26 0.968,27 3.159,28 0.784,29 -0.027,30 1.124,31 624.066,32 3.886,33 0.502,34 1,35 6,36 1.394,37 7.999,38 469.46,39 7.368,40 1.685,41 13.03,42 5.892,43 34.718,44 112.904,45 8.694,46 0.514,47 4.099,48 4.197,49 3.753,50 3.615,51 5.337,52 3.636,53 4.665,54 4.8,55 4.237,56 3.975,57 6.545,58 3.994,59 4.851,60 5.025,61 4.182,62 4.092,63 6.179,64 4.074,65 5.004,66 5.22,67 4.129,68 4.029,69 6.296,70 4.022,71 4.894,72 5.093,73 4.206,74 3.99,75 6.176,76 4.009,77 5.054,78 5.256,79 4.414,80 3.981,81 7.146,82 4.013,83 4.88,84 5.112,85 3.93,86 3.952,87 6.247,88 3.896,89 4.741,90 4.965,91 3.797,92 3.902,93 5.886,94 3.829,95 0.32,96 1.172,97 8.029,98 5.626,99 63.994,100 5.56,101 1.567,102 2.448,103 18.999,104 9.158,105 269.592,106 9.202,107 0.874,108 1.986,109 11.439,110 105.785,111 13.027,112 1.609,113 2.115,114 34.994,115 12.251,116 242.278,117 13.179,118 1.095,119 2.177,120 27.942,121 11.196,122 184.498,123 12.475,124 3.49,125 3.226,126 39.391,127 12.209,128 12.402,129 1.674,130 1.782,131 32.074,132 10.766,133 221.567,134 12.276,135 0.972,136 1.531,137 10.191,138 154.574,139 12.255,140 54,141 50,142 0.28,143 0.541,144 0.68,145 0.785,146 0.832,147 0.84,148 3.531,149 -6.41,150 -6.24,151 -5.79,153 44.4,157 3,160 2,164 12,165 5,177 16,180 3,183 2,184 16,188 4,192 1,193 4,194 8,198 3,200 1,203 2,206 1,210 5,211 7,218 3,219 12,223 1,224 1,226 4,229 14,233 2,236 3,238 12,241 2,244 2,246 9,249 1942,250 21.22,251 21.22,252 21.22,253 21.22,254 21.22,255 19.122,256 26.953,257 12.471,258 21.925,259 17.297,260 17.297,261 17.297,262 17.297,263 17.297,264 14.095,265 36.829,266 5.961,267 18.613,268 4.07,269 2.496,270 1.66,271 1.026,272 0.746,273 0.695,274 4.207,278 895,279 4.796,281 364.644,283 2.092,284 74.314,287 0.75,288 0.67,289 0.83,290 0.7,291 0.5,292 0.83,293 1,294 0.75,295 77.5,296 430,297 4.575,298 4.483,299 7.186,300 4.286,301 3.403,302 4.067,303 3.825,304 11.979,305 3.059,306 4.292,307 4.439,308 7.052,309 4.059,310 3.23,311 3.805,312 3.825,313 11.446,314 2.754,315 4.201,316 3.19,317 6.14,318 3.82,319 2.855,320 3.44,321 1.151,322 9.041,323 2.676,324 3.9,325 3.143,326 6.023,327 3.671,328 2.725,329 3.425,330 0.765,331 8.59,332 2.542,333 3.887,334 2.753,335 5.338,336 3.493,337 2.5,338 3.117,339 0.657,340 6.957,341 2.481,342 3.118,343 2.285,344 4.845,345 2.811,346 1.903,347 2.217,349 5.465,350 1.697,351 2.994,352 2.126,353 4.442,354 2.639,355 1.701,356 2.16,358 4.47,359 1.573,360 2.937,361 1.716,362 4.377,363 2.516,364 1.536,365 2.102,366 3.92,367 1.5,368 2.857,369 1.634,370 4.103,371 2.402,372 1.414,373 2.003,374 3.534,375 1.392,376 2.65,377 1.522,378 3.668,379 2.255,380 1.293,381 1.698,382 3.164,383 1.23,384 2.578,385 1.459,386 3.598,387 2.211,388 1.285,389 1.593,390 3.014,391 1.157,392 2.5,393 1.135,394 3.258,395 2,396 1,397 1.5,398 2.136,399 1,400 2.043,401 1,402 3.247,403 1.775,404 0.838,405 0.978,406 1.921,407 0.78,408 1.831,409 0.957,410 3.071,411 1.534,412 0.626,413 0.736,414 1.428,415 0.562,416 1.163,417 0.51,418 2.861,419 0.917,420 -0.03,421 -0.034,422 -0.07,423 -0.028,424 14.781,425 1.135,426 0.034,427 38.75,428 1.174,429 18.5,430 0.561,431 20.25,432 0.614,433 29.036,434 0.88,435 38.019,436 0.704,437 37.105,438 8.358,439 0.253,440 7.179,441 0.218,442 0.139,443 0.068,444 0.237,445 6,447 0.611,448 0.874,449 0.632,450 0.646,451 0.922,452 0.496,453 0.731,454 0.979,455 0.399,456 1,457 0.601,458 0.898,459 1.174,460 1.059,461 0.925,462 0.973,463 1.002,464 0.832,465 1.061,466 0.777,467 1.136,468 0.797,469 1.01,470 0.785,471 0.781,472 0.961,473 0.826,474 0.764,475 0.934,476 0.917,477 0.654,478 0.816,479 1.001,480 1.023,481 5}
{0 CHEMBL371327,1 -0.007,2 2.017,3 1.819,4 -0.501,5 1.147,6 0.453,7 0.58,8 0.666,9 0.382,10 0.139,11 0.083,12 0.051,13 42.87,14 0.072,15 0.53,16 0.762,17 0.964,18 0.694,19 1,20 2,21 6.881,22 0.229,23 29.725,24 1.024,25 0.316,26 0.879,27 3.337,28 0.865,29 -0.056,30 0.631,31 28.439,32 4.17,33 0.991,34 2,35 4,36 1.285,37 4.296,38 371.33,39 6.417,40 1.739,41 10.143,42 2.297,43 5.276,44 90.751,45 9.283,46 0.5,47 3.771,48 3.884,49 3.56,50 3.363,51 4.845,52 3.289,53 4.276,54 4.435,55 3.929,56 3.732,57 5.295,58 3.618,59 4.507,60 4.714,61 4.124,62 3.789,63 5.52,64 3.627,65 4.47,66 4.686,67 3.661,68 3.657,69 5.423,70 3.529,71 4.455,72 4.68,73 3.781,74 3.682,75 5.397,76 3.523,77 4.465,78 4.718,79 3.582,80 3.651,81 5.333,82 3.461,83 4.387,84 4.647,85 3.537,86 3.55,87 5.375,88 3.369,89 4.242,90 4.496,91 3.542,92 3.458,93 5.157,94 3.272,95 0.056,96 0.555,97 7.06,98 3.977,99 11.486,100 4.786,101 0.153,102 0.865,103 16.167,104 6.98,105 19.361,106 8.134,107 0.374,108 0.985,109 9.962,110 38.467,111 10.852,112 0.329,113 0.958,114 24.402,115 8.182,116 31.781,117 9.84,118 0.265,119 0.953,120 27.674,121 8.346,122 31.767,123 10.244,124 0.247,125 0.954,126 36.647,127 8.86,128 10.959,129 0.333,130 0.867,131 25.652,132 7.79,133 40.365,134 9.818,135 0.24,136 0.736,137 7.558,138 28.734,139 8.735,140 13,141 28,142 0.314,143 0.679,144 0.836,145 0.907,146 0.916,147 0.916,148 3.101,149 -2.95,150 -2.96,151 -2.86,152 1,153 37.5,157 4,164 5,165 1,168 1,169 1,172 1,173 1,174 1,177 4,180 2,183 1,184 6,188 2,190 1,191 1,192 1,193 3,194 3,198 1,200 1,210 5,213 2,218 4,219 2,221 2,224 1,225 1,226 3,228 1,229 2,231 1,233 2,236 1,238 5,246 3,249 582,250 14.267,251 14.267,252 14.267,253 14.267,254 14.267,255 12.894,256 17.347,257 8.873,258 14.865,259 10.831,260 10.831,261 10.831,262 10.831,263 10.831,264 8.795,265 22.082,266 4.165,267 11.913,268 3.583,269 1.56,270 0.69,271 0.3,272 0.25,273 0.25,274 3.763,276 1,277 1,278 438,279 3.317,280 64.526,281 79.059,283 1.401,284 18.125,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 44.75,296 213,297 4.198,298 3.225,299 6.138,300 3.817,301 2.872,302 3.802,303 0.86,304 9.034,305 2.75,306 4.17,307 3.146,308 6.066,309 3.76,310 2.835,311 3.759,312 0.765,313 8.75,314 2.566,315 3.414,316 2.75,317 4.993,318 3.062,319 2.198,320 2.581,321 0.657,322 5.87,323 1.813,324 2.982,325 2.277,326 4.458,327 2.696,328 1.777,329 2.116,331 4.526,332 1.616,333 2.935,334 1.803,335 4.021,336 2.514,337 1.552,338 2.105,340 3.457,341 1.488,342 2.582,343 1.558,344 3.652,345 2.248,346 1.325,347 1.598,349 3.092,350 1.223,351 2.434,352 1.438,353 3.37,354 2.197,355 1.267,356 1.429,358 2.449,359 1.118,360 2.207,361 1.199,362 3.284,363 1.723,364 0.876,365 1.101,366 1.958,367 0.705,368 1.964,369 0.754,370 3.201,371 1.514,372 0.648,373 0.86,374 1.575,375 0.544,376 1.468,377 0.711,378 2.586,379 1.242,380 0.347,381 0.379,382 0.6,383 0.308,384 1.012,385 0.313,386 2.359,387 0.803,388 -0.116,389 -0.126,390 -0.232,391 -0.105,392 0.637,393 -0.037,394 2,395 0.318,396 -0.604,397 -0.675,398 -1.221,399 -0.342,400 0.489,401 -0.231,402 1.809,403 0.1,404 -0.764,405 -0.88,406 -1.786,407 -0.554,408 0.429,409 -0.657,410 1.601,411 -0.154,412 -0.877,413 -1.096,414 -2.005,415 -0.849,416 0.035,417 -0.833,418 1.426,419 -0.273,420 -1.226,421 -1.433,422 -2.449,423 -1.117,424 11.133,425 0.383,426 0.018,427 23,428 1.095,429 10.5,430 0.5,431 12.5,432 0.595,433 19.3,434 0.919,435 23.067,436 0.577,437 13.247,438 4.406,439 0.21,440 5.797,441 0.276,442 0.186,444 0.225,447 1.019,448 1.056,449 0.541,450 1.137,451 0.85,452 1.183,453 0.654,454 0.85,455 0.999,456 0.937,457 1.096,458 0.999,459 0.976,460 1.285,461 1.098,462 1.078,463 0.972,464 0.954,465 1.164,466 0.738,467 0.964,468 1.01,469 1.096,470 0.783,471 1.061,472 0.979,473 1.047,474 0.693,475 1.069,476 0.752,477 0.807,478 0.73,479 0.9,480 0.888,481 6.658}
{0 CHEMBL371525,1 -0.002,2 2.029,3 1.951,4 -0.513,5 1.069,6 0.458,7 0.595,8 0.639,9 0.356,10 0.127,11 0.075,12 0.044,13 40.612,14 0.05,15 0.525,16 0.769,17 1.093,18 0.722,19 1,20 2,21 6.881,22 0.212,23 31.549,24 1.01,25 0.462,26 0.921,27 3.809,28 0.896,29 -0.077,30 0.773,31 24.072,32 4.171,33 1.048,34 2,35 4,36 1.326,37 4.326,38 419.37,39 7.424,40 1.7,41 11.6,42 3.559,43 12.665,44 105.257,45 9.531,46 0.63,47 3.877,48 3.975,49 3.696,50 3.52,51 4.977,52 3.456,53 4.372,54 4.512,55 4.063,56 3.889,57 5.43,58 3.793,59 4.59,60 4.771,61 4.229,62 3.952,63 5.61,64 3.808,65 4.618,66 4.831,67 3.79,68 3.807,69 5.573,70 3.683,71 4.58,72 4.809,73 3.896,74 3.805,75 5.524,76 3.665,77 4.498,78 4.723,79 3.769,80 3.828,81 5.386,82 3.675,83 4.479,84 4.681,85 3.803,86 3.834,87 5.497,88 3.693,89 4.504,90 4.733,91 3.794,92 3.78,93 5.454,94 3.618,95 0.037,96 0.583,97 6.486,98 4.177,99 10.131,100 4.915,101 0.144,102 0.952,103 15.015,104 7.23,105 18.366,106 8.16,107 0.264,108 1.123,109 10.694,110 31.433,111 11.5,112 0.337,113 1.147,114 26.684,115 9.787,116 36.272,117 11.346,118 0.394,119 1.097,120 31.348,121 9.562,122 39.95,123 11.237,124 0.227,125 1.024,126 35.623,127 9.527,128 11.465,129 0.223,130 0.997,131 22.262,132 8.772,133 31.171,134 10.973,135 0.226,136 1.042,137 9.553,138 31.317,139 11.22,140 5,141 35,142 0.295,143 0.645,144 0.814,145 0.883,146 0.891,147 0.891,148 3.266,149 -3.64,150 -3.61,151 -3.44,152 1,153 43.2,157 3,164 7,165 2,166 2,168 1,169 1,177 6,180 5,183 1,184 7,188 5,192 1,193 3,194 3,198 1,200 1,203 2,205 1,210 3,211 6,218 3,219 7,223 2,224 1,226 4,229 4,233 4,236 1,238 5,241 1,242 1,244 1,246 3,249 1033,250 17.121,251 17.121,252 17.121,253 17.121,254 17.121,255 14.996,256 19.688,257 10.505,258 17.753,259 13.348,260 13.348,261 13.348,262 13.348,263 13.348,264 10.269,265 25.782,266 5.018,267 14.46,268 3.76,269 1.739,270 0.765,271 0.364,272 0.318,273 0.318,274 3.951,277 1,278 619,279 3.24,280 76.278,281 177.796,283 1.856,284 18.314,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 52.75,296 290,297 4.203,298 3.227,299 6.14,300 3.823,301 2.874,302 3.805,303 1.151,304 9.042,305 2.755,306 4.171,307 3.172,308 6.066,309 3.761,310 2.84,311 3.759,312 0.765,313 8.75,314 2.567,315 3.887,316 2.766,317 5.338,318 3.487,319 2.5,320 3.44,321 0.657,322 6.957,323 2.465,324 3.414,325 2.736,326 4.993,327 3.062,328 2.197,329 2.581,331 5.87,332 1.812,333 2.998,334 2.149,335 4.441,336 2.65,337 1.722,338 2.161,340 4.469,341 1.584,342 2.942,343 1.747,344 4.02,345 2.498,346 1.543,347 2.11,349 3.451,350 1.469,351 2.857,352 1.567,353 3.666,354 2.367,355 1.414,356 2.004,358 3.154,359 1.341,360 2.582,361 1.495,362 3.598,363 2.205,364 1.316,365 1.598,366 3.011,367 1.119,368 2.5,369 1.201,370 3.285,371 1.984,372 1,373 1.5,374 2.136,375 0.983,376 2.209,377 1,378 3.247,379 1.731,380 0.878,381 1.105,382 1.965,383 0.713,384 1.997,385 0.957,386 3.204,387 1.536,388 0.666,389 0.886,390 1.597,391 0.564,392 1.821,393 0.714,394 3.067,395 1.498,396 0.607,397 0.723,398 1.408,399 0.531,400 1.152,401 0.354,402 2.53,403 0.898,404 -0.039,405 -0.044,406 -0.089,407 -0.036,408 0.806,409 -0.036,410 2.222,411 0.48,412 -0.459,413 -0.539,414 -1.068,415 -0.339,416 0.56,417 -0.114,418 2,419 0.157,420 -0.758,421 -0.879,422 -1.734,423 -0.432,424 13.133,425 0.452,426 0.018,427 31.75,428 1.27,429 16.5,430 0.66,431 15.25,432 0.61,433 21.354,434 0.854,435 25.867,436 0.588,437 19.321,438 6.152,439 0.246,440 6.068,441 0.243,442 0.127,444 0.228,447 0.921,448 1.068,449 0.523,450 0.975,451 0.819,452 1.209,453 0.662,454 0.845,455 1.012,456 0.916,457 1.076,458 1.155,459 1.105,460 1.36,461 1.108,462 1.168,463 1.011,464 1.15,465 0.885,466 0.727,467 0.821,468 1.131,469 0.929,470 0.766,471 0.898,472 1.026,473 1.004,474 0.657,475 0.987,476 0.641,477 1.058,478 0.887,479 0.766,480 1.034,481 7.796}
{0 CHEMBL371593,1 -0.033,2 2.051,3 1.994,4 -0.562,5 1.211,6 0.507,7 0.601,8 0.657,9 0.404,10 0.141,11 0.081,12 0.047,13 46.455,14 0.035,15 0.525,16 0.913,17 1.05,18 0.722,19 1,20 3,21 6.881,22 0.244,23 36.559,24 1.023,25 0.816,26 0.925,27 4.793,28 0.903,29 -0.105,30 0.885,31 38.823,32 4.735,33 1.129,34 3,35 4,36 1.351,37 4.667,38 496.48,39 10.501,40 1.744,41 13.172,42 4.235,43 17.939,44 121.169,45 9.735,46 0.548,47 4.022,48 4.1,49 3.964,50 3.7,51 5.087,52 3.612,53 4.549,54 4.67,55 4.276,56 4.069,57 5.809,58 3.969,59 4.787,60 4.944,61 4.413,62 4.147,63 5.953,64 4.011,65 4.821,66 5.014,67 4.019,68 4.022,69 5.921,70 3.902,71 4.784,72 5.012,73 4.034,74 3.98,75 5.772,76 3.834,77 4.653,78 4.878,79 3.934,80 3.956,81 5.546,82 3.802,83 4.639,84 4.823,85 3.969,86 3.954,87 5.808,88 3.821,89 4.65,90 4.874,91 3.976,92 3.945,93 5.604,94 3.781,95 0.106,96 0.67,97 8.959,98 5.566,99 21.091,100 5.884,101 0.314,102 1.108,103 21.003,104 9.708,105 54.254,106 10.172,107 0.455,108 1.339,109 13.298,110 63.315,111 13.347,112 0.522,113 1.397,114 32.56,115 12.307,116 65.174,117 13.455,118 0.519,119 1.321,120 37.214,121 12.046,122 66.865,123 13.894,124 0.346,125 1.198,126 43.22,127 11.671,128 13.519,129 0.566,130 1.124,131 25.094,132 10.186,133 68.455,134 12.078,135 0.373,136 1.178,137 11.482,138 43.085,139 13.085,140 27,141 43,142 0.291,143 0.623,144 0.783,145 0.864,146 0.879,147 0.879,148 3.407,149 -4.23,150 -4.17,151 -3.94,152 1,153 41.2,156 1,157 3,164 9,165 2,168 1,169 1,177 8,179 1,180 3,183 1,184 10,188 8,192 1,193 3,194 5,198 7,200 1,203 2,206 2,210 3,211 6,218 3,219 11,222 2,224 1,226 4,229 8,233 2,236 3,238 7,241 4,244 1,246 3,249 1563,250 19.04,251 19.04,252 19.04,253 19.04,254 19.04,255 16.642,256 22.84,257 11.222,258 19.843,259 15.289,260 15.289,261 15.289,262 15.289,263 15.289,264 11.659,265 28.266,266 5.321,267 16.731,268 3.928,269 1.941,270 0.981,271 0.5,272 0.407,273 0.407,274 4.085,278 802,279 4.123,280 90.872,281 214.358,283 2.247,284 34.438,287 1,288 0.83,289 0.83,290 0.8,291 0.5,292 1,293 1,294 0.85,295 62.25,296 382,297 4.801,298 5.18,299 7.111,300 4.179,301 3.313,302 4.66,303 2.95,304 11.657,305 2.845,306 4.202,307 3.227,308 6.14,309 3.822,310 2.874,311 3.805,312 1.151,313 9.042,314 2.752,315 4.171,316 3.172,317 6.066,318 3.761,319 2.84,320 3.759,321 0.765,322 8.75,323 2.567,324 3.877,325 2.804,326 5.352,327 3.461,328 2.476,329 3.424,330 0.657,331 7,332 2.422,333 3.414,334 2.748,335 4.993,336 3.062,337 2.197,338 2.581,340 5.87,341 1.812,342 3.127,343 2.55,344 4.592,345 2.676,346 1.738,347 2.339,349 4.76,350 1.617,351 2.952,352 2.118,353 4.429,354 2.573,355 1.608,356 2.111,358 4.401,359 1.54,360 2.907,361 1.706,362 4.019,363 2.439,364 1.465,365 2.058,366 3.438,367 1.419,368 2.582,369 1.529,370 3.64,371 2.205,372 1.317,373 1.598,374 3.06,375 1.12,376 2.5,377 1.215,378 3.414,379 2,380 1,381 1.5,382 2.275,383 1,384 2.209,385 1.172,386 3.285,387 1.733,388 0.878,389 1.105,390 1.966,391 0.716,392 2.004,393 1,394 3.217,395 1.571,396 0.686,397 0.894,398 1.627,399 0.593,400 1.849,401 0.778,402 3.188,403 1.507,404 0.627,405 0.757,406 1.506,407 0.538,408 1.197,409 0.713,410 2.751,411 0.926,412 -0.015,413 -0.017,414 -0.035,415 -0.014,416 1,417 0.349,418 2.517,419 0.575,420 -0.361,421 -0.428,422 -0.862,423 -0.321,424 15.233,425 0.846,426 0.029,427 36.75,428 1.267,429 19.5,430 0.672,431 17.25,432 0.595,433 26.488,434 0.913,435 30.967,436 0.607,437 25.676,438 6.865,439 0.237,440 6.961,441 0.24,442 0.186,443 0.055,444 0.23,447 0.681,448 1.053,449 0.575,450 0.776,451 0.848,452 0.942,453 0.713,454 0.936,455 0.688,456 0.91,457 1.162,458 1.149,459 1.094,460 1.237,461 1.138,462 1.001,463 1.049,464 1.015,465 0.923,466 0.678,467 0.763,468 0.887,469 0.94,470 0.619,471 0.932,472 0.996,473 0.999,474 0.427,475 0.97,476 0.715,477 0.978,478 0.794,479 0.762,480 1.025,481 7.585}
{0 CHEMBL371642,1 -0.11,2 2.039,3 1.993,4 -0.496,5 0.968,6 1.109,7 0.785,8 0.598,9 0.323,10 0.099,11 0.058,12 0.033,13 20.331,14 0.113,15 0.478,16 1.103,17 1.2,18 0.647,21 3.901,22 0.18,23 13.863,24 0.987,25 0.361,26 1.084,27 2.188,28 1.055,29 -0.13,30 0.804,31 34.959,32 3.842,33 0.992,34 1,35 6,36 1.382,37 4.177,38 271.39,39 4.873,40 1.364,41 9,42 2.91,43 8.47,44 81.386,45 6.619,46 0.571,47 3.774,48 3.895,49 3.224,50 3.305,51 4.836,52 3.26,53 4.283,54 4.466,55 3.494,56 3.651,57 5.263,58 3.58,59 4.494,60 4.696,61 3.558,62 3.771,63 5.489,64 3.666,65 4.607,66 4.85,67 3.422,68 3.723,69 5.523,70 3.585,71 4.557,72 4.817,73 3.257,74 3.637,75 5.439,76 3.476,77 4.507,78 4.8,79 3.072,80 3.509,81 5.324,82 3.331,83 4.303,84 4.59,85 3.073,86 3.374,87 5.2,88 3.225,89 4.106,90 4.346,91 3.039,92 3.308,93 5.062,94 3.186,95 0.049,96 0.536,97 9.463,98 4.056,99 10.255,100 5.432,101 0.149,102 0.837,103 16.409,104 6.332,105 18.076,106 8.672,107 0.188,108 1.002,109 7.945,110 29.066,111 11.014,112 0.283,113 1.06,114 23.387,115 8.276,116 35.092,117 11.735,118 0.211,119 1.01,120 22.156,121 7.785,122 33.175,123 11.254,124 0.244,125 0.918,126 21.352,127 7.269,128 10.597,129 0.269,130 0.747,131 17.316,132 6.175,133 31.895,134 8.903,135 0.115,136 0.627,137 5.477,138 22.171,139 7.514,140 11,141 27,142 0.244,143 0.563,144 0.754,145 0.859,146 0.9,147 0.9,148 3.056,149 -3.92,150 -3.88,151 -3.68,153 41.5,154 1,156 1,157 2,164 8,165 3,177 11,180 2,183 2,184 12,188 2,192 1,193 4,194 7,198 1,200 1,203 1,210 6,211 1,218 3,219 3,223 1,224 1,226 2,229 6,233 2,236 1,238 9,241 2,246 8,249 468,250 13.56,251 13.56,252 13.56,253 13.56,254 13.56,255 12.057,256 17.238,257 8.225,258 13.822,259 10.293,260 10.293,261 10.293,262 10.293,263 10.293,264 8.068,265 22.39,266 3.794,267 10.63,268 3.993,269 2.215,270 1.147,271 0.561,272 0.33,273 0.33,274 3.717,276 1,277 1,278 372,279 3,281 145.04,283 1.3,284 13.602,285 1,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 42.5,296 180,297 4.193,298 3.182,299 6.13,300 3.828,301 2.853,302 3.8,303 0.86,304 8.981,305 2.787,306 4.133,307 3.122,308 6.052,309 3.793,310 2.817,311 3.702,312 0.765,313 8.696,314 2.741,315 3.494,316 2.493,317 5.001,318 3.213,319 2.232,320 2.728,321 0.657,322 5.922,323 2.187,324 2.965,325 2.171,326 4.417,327 2.663,328 1.715,329 2.116,331 4.361,332 1.623,333 2.917,334 1.707,335 4.104,336 2.463,337 1.497,338 2.074,340 3.645,341 1.437,342 2.766,343 1.538,344 3.632,345 2.4,346 1.414,347 1.857,349 3.054,350 1.389,351 2.544,352 1.273,353 3.476,354 2.144,355 1.157,356 1.556,358 2.559,359 1.141,360 2.032,361 1.063,362 3.236,363 1.771,364 0.831,365 0.97,366 1.886,367 0.776,368 1.653,369 0.939,370 2.736,371 1.378,372 0.497,373 0.56,374 0.794,375 0.433,376 1.035,377 0.306,378 2.474,379 0.808,380 -0.121,381 -0.133,382 -0.241,383 -0.111,384 0.921,385 -0.13,386 2,387 0.592,388 -0.406,389 -0.51,390 -0.898,391 -0.405,392 0.637,393 -0.297,394 2,395 0.261,396 -0.69,397 -0.799,398 -1.416,399 -0.636,400 0.58,401 -0.467,402 1.917,403 0.16,404 -0.796,405 -1.007,406 -2.07,407 -0.764,408 0.451,409 -0.736,410 1.533,411 0.076,412 -0.897,413 -1.197,414 -2.087,415 -0.872,416 -0.071,417 -1.124,418 1.329,419 -0.35,420 -1.33,421 -1.578,422 -3.36,423 -1.275,424 9.567,425 0.383,426 0.019,427 24.25,428 1.213,429 12.5,430 0.625,431 11.75,432 0.588,433 14.685,434 0.734,435 22.233,436 0.542,437 16.076,438 5.162,439 0.258,440 4.541,441 0.227,442 0.139,444 0.261,447 0.982,448 1.19,449 0.945,450 1.049,451 1.028,452 1.248,453 1.024,454 0.954,455 1.006,456 0.953,457 0.944,458 1.231,459 1.152,460 1.208,461 1.136,462 1.201,463 1.086,464 1.1,465 1.167,466 1.12,467 1.112,468 1.184,469 1.113,470 1.146,471 0.869,472 0.998,473 0.859,474 1.26,475 0.897,476 0.774,477 0.706,478 0.749,479 0.8,480 0.759,481 6.959}
{0 CHEMBL372001,1 -0.012,2 2.02,3 2.004,4 -0.528,5 1.029,6 0.473,7 0.62,8 0.624,9 0.343,10 0.114,11 0.065,12 0.037,13 42.784,14 -0.047,15 0.519,16 0.749,17 1.015,18 0.725,19 1,20 2,21 6.881,22 0.197,23 28.865,24 1.107,25 0.421,26 0.932,27 4.389,28 0.887,29 -0.086,30 0.824,31 32.825,32 4.171,33 1.058,34 2,35 5,36 1.36,37 4.408,38 458.41,39 8.27,40 1.722,41 12.429,42 4.632,43 21.452,44 115.802,45 9.55,46 0.677,47 3.984,48 4.084,49 3.801,50 3.618,51 5.079,52 3.567,53 4.486,54 4.621,55 4.195,56 4.003,57 5.559,58 3.925,59 4.708,60 4.895,61 4.331,62 4.052,63 5.755,64 3.928,65 4.709,66 4.92,67 3.916,68 3.917,69 5.675,70 3.809,71 4.641,72 4.86,73 3.978,74 3.878,75 5.594,76 3.749,77 4.639,78 4.873,79 3.877,80 3.862,81 5.55,82 3.733,83 4.545,84 4.76,85 3.895,86 3.861,87 5.573,88 3.751,89 4.514,90 4.711,91 3.935,92 3.905,93 5.495,94 3.778,95 0.055,96 0.67,97 6.937,98 4.387,99 9.925,100 5.078,101 0.165,102 1.101,103 15.525,104 7.783,105 18.224,106 8.774,107 0.429,108 1.316,109 11.101,110 38.519,111 11.983,112 0.373,113 1.299,114 27.435,115 10.163,116 35.952,117 11.811,118 0.315,119 1.193,120 30.457,121 9.884,122 36.772,123 11.646,124 0.326,125 1.191,126 39.888,127 10.371,128 12.125,129 0.409,130 1.113,131 25.025,132 8.617,133 38.354,134 10.369,135 0.235,136 1.069,137 9.227,138 26.298,139 10.663,140 5,141 42,142 0.29,143 0.647,144 0.791,145 0.891,146 0.919,147 0.919,148 3.374,149 -4.03,150 -3.98,151 -3.77,152 1,153 43.8,157 3,164 9,165 1,167 1,168 1,169 2,171 1,177 7,180 3,182 1,183 2,184 8,187 1,188 4,191 1,192 1,193 5,194 4,198 2,200 1,206 4,210 5,215 4,218 4,219 2,223 1,224 2,225 1,226 3,229 6,233 2,236 1,238 13,244 2,246 9,249 1376,250 19.223,251 19.223,252 19.223,253 19.223,254 19.223,255 16.713,256 19.688,257 11.552,258 19.897,259 15.336,260 15.336,261 15.336,262 15.336,263 15.336,264 11.589,265 25.782,266 5.519,267 16.562,268 3.863,269 1.738,270 0.886,271 0.292,272 0.125,273 0.125,274 4.073,277 1,278 764,279 3.391,280 144.355,281 181.516,282 118.941,283 2.112,284 21.209,287 1,288 0.83,289 1,290 0.6,291 0.5,292 1,293 1,294 0.85,295 59.25,296 348,297 4.459,298 3.228,299 6.244,300 3.94,301 2.987,302 4.401,303 1.151,304 9.476,305 2.848,306 4.198,307 3.188,308 6.138,309 3.814,310 2.87,311 3.803,312 0.765,313 9.035,314 2.748,315 4.17,316 3.014,317 6.066,318 3.76,319 2.831,320 3.759,321 0.657,322 8.75,323 2.566,324 3.492,325 2.75,326 5.133,327 3.098,328 2.2,329 2.842,331 6.243,332 2.029,333 3.413,334 2.468,335 4.993,336 3.058,337 2.142,338 2.581,340 5.869,341 1.81,342 3.032,343 2.066,344 4.434,345 2.625,346 1.687,347 2.298,349 4.438,350 1.569,351 2.961,352 1.691,353 4.414,354 2.495,355 1.532,356 2.113,358 4.312,359 1.474,360 2.929,361 1.532,362 4.019,363 2.466,364 1.494,365 2.102,366 3.439,367 1.446,368 2.835,369 1.528,370 3.644,371 2.355,372 1.367,373 1.984,374 3.071,375 1.348,376 2.582,377 1.409,378 3.604,379 2.205,380 1.316,381 1.598,382 2.956,383 1.12,384 2.209,385 1.201,386 3.285,387 1.73,388 0.878,389 1.104,390 1.965,391 0.712,392 1.994,393 0.955,394 3.206,395 1.525,396 0.662,397 0.883,398 1.598,399 0.554,400 1.847,401 0.714,402 3.147,403 1.483,404 0.595,405 0.703,406 1.406,407 0.521,408 1.801,409 0.347,410 3,411 1.295,412 0.347,413 0.521,414 0.86,415 0.328,416 1.127,417 0.347,418 2.55,419 0.879,420 -0.053,421 -0.06,422 -0.124,423 -0.049,424 14.533,425 0.571,426 0.02,427 36.25,428 1.295,429 18.5,430 0.661,431 17.75,432 0.634,433 24.396,434 0.871,435 28.667,436 0.597,437 23.06,438 6.982,439 0.249,440 6.704,441 0.239,442 0.115,444 0.275,447 0.959,448 1.072,449 0.52,450 0.997,451 0.784,452 1.111,453 0.644,454 0.879,455 0.957,456 0.924,457 1.065,458 1.071,459 1.041,460 1.334,461 1.121,462 1.19,463 1.021,464 1.109,465 1.103,466 0.755,467 0.966,468 1.126,469 1.055,470 1.116,471 0.971,472 1.002,473 0.978,474 0.784,475 0.942,476 1.001,477 0.699,478 0.681,479 0.935,480 0.818,481 7.585}
{0 CHEMBL372515,1 -0.001,2 2.033,3 1.93,4 -0.511,5 1.076,6 0.458,7 0.575,8 0.641,9 0.359,10 0.126,11 0.073,12 0.043,13 41.029,14 -0.044,15 0.531,16 0.729,17 1.031,18 0.733,19 1,20 2,21 6.881,22 0.212,23 29.764,24 1.075,25 0.295,26 0.862,27 3.743,28 0.881,29 -0.019,30 0.774,31 23.306,32 4.171,33 1.105,34 3,35 4,36 1.336,37 4.195,38 404.35,39 7.195,40 1.636,41 10.917,42 4.703,43 22.114,44 102.579,45 9.627,46 0.654,47 3.829,48 3.921,49 3.66,50 3.501,51 4.928,52 3.432,53 4.311,54 4.438,55 4.041,56 3.868,57 5.381,58 3.768,59 4.561,60 4.742,61 4.208,62 3.913,63 5.586,64 3.77,65 4.527,66 4.732,67 3.765,68 3.76,69 5.506,70 3.645,71 4.481,72 4.687,73 3.897,74 3.801,75 5.456,76 3.67,77 4.476,78 4.683,79 3.754,80 3.835,81 5.397,82 3.676,83 4.485,84 4.71,85 3.705,86 3.777,87 5.459,88 3.613,89 4.37,90 4.6,91 3.67,92 3.664,93 5.299,94 3.486,95 0.029,96 0.518,97 5.991,98 3.966,99 9.216,100 4.693,101 0.069,102 0.857,103 13.105,104 6.917,105 15.194,106 7.933,107 0.274,108 1.065,109 10.645,110 32.598,111 11.141,112 0.309,113 1.064,114 24.451,115 9.033,116 33.006,117 10.198,118 0.266,119 1,120 27.015,121 8.773,122 31.747,123 10.166,124 0.172,125 0.993,126 33.035,127 9.367,128 11.175,129 0.24,130 1,131 24.336,132 9.022,133 33.771,134 11.264,135 0.195,136 0.894,137 8.888,138 27.142,139 10.226,140 5,141 34,142 0.286,143 0.59,144 0.72,145 0.831,146 0.882,147 0.894,148 3.227,149 -4.72,150 -4.64,151 -4.36,152 1,153 45.2,157 2,164 10,165 1,168 1,169 1,177 8,180 4,183 1,184 10,188 4,192 1,193 3,194 5,198 2,200 1,203 4,210 3,211 8,218 4,219 10,224 1,226 4,229 6,233 2,236 2,238 6,244 2,246 3,249 886,250 16.413,251 16.413,252 16.413,253 16.413,254 16.413,255 14.289,256 18.613,257 10.059,258 16.974,259 12.865,260 12.865,261 12.865,262 12.865,263 12.865,264 9.812,265 24.61,266 4.818,267 13.903,268 3.756,269 2.021,270 1.276,271 0.646,272 0.351,273 0.286,274 3.911,277 1,278 561,279 3.082,280 72.515,281 164.882,283 1.597,284 16.286,287 1,288 1,289 1,290 0.6,291 0.5,292 1,293 1,294 0.87,295 50.25,296 262,297 4.229,298 3.236,299 6.167,300 3.846,301 2.892,302 3.831,303 0.86,304 9.169,305 2.767,306 4.172,307 3.206,308 6.066,309 3.763,310 2.855,311 3.759,312 0.765,313 8.751,314 2.567,315 3.845,316 2.756,317 5.322,318 3.403,319 2.437,320 3.404,321 0.657,322 6.886,323 2.346,324 3.414,325 2.67,326 4.993,327 3.061,328 2.195,329 2.581,331 5.869,332 1.81,333 2.996,334 2.013,335 4.379,336 2.63,337 1.682,338 2.176,340 4.303,341 1.579,342 2.941,343 1.681,344 4.017,345 2.496,346 1.521,347 2.11,349 3.435,350 1.478,351 2.769,352 1.537,353 3.652,354 2.299,355 1.333,356 1.886,358 3.108,359 1.287,360 2.582,361 1.399,362 3.552,363 2.202,364 1.294,365 1.598,366 2.895,367 1.119,368 2.5,369 1.198,370 3.285,371 2,372 1,373 1.5,374 2.136,375 1,376 2.208,377 1,378 3.247,379 1.723,380 0.876,381 1.102,382 1.961,383 0.704,384 1.967,385 0.716,386 3.202,387 1.513,388 0.647,389 0.861,390 1.577,391 0.543,392 1.419,393 0.503,394 2.803,395 1.107,396 0.182,397 0.217,398 0.434,399 0.166,400 0.978,401 0.126,402 2.478,403 0.692,404 -0.234,405 -0.267,406 -0.557,407 -0.212,408 0.677,409 -0.037,410 2,411 0.274,412 -0.673,413 -0.826,414 -1.503,415 -0.345,416 0.5,417 -0.378,418 1.865,419 0.099,420 -0.765,421 -0.882,422 -1.786,423 -0.633,424 12.733,425 0.452,426 0.019,427 30.75,428 1.281,429 16.5,430 0.688,431 14.25,432 0.594,433 20.124,434 0.839,435 24.467,436 0.583,437 18.584,438 5.929,439 0.247,440 5.791,441 0.241,442 0.131,444 0.236,447 0.921,448 0.957,449 0.52,450 1.005,451 0.788,452 1.042,453 0.653,454 0.904,455 0.924,456 0.958,457 1.257,458 1.116,459 1.032,460 1.442,461 1.065,462 1.232,463 0.936,464 1.12,465 0.983,466 0.752,467 0.861,468 1.167,469 0.956,470 0.761,471 1.088,472 1.03,473 1.108,474 0.696,475 1.127,476 0.684,477 0.992,478 0.833,479 0.8,480 0.998,481 6.921}
{0 CHEMBL372648,1 -0.081,2 2.045,3 2.013,4 -1.047,5 0.894,6 1.083,7 1.064,8 0.541,9 0.298,10 0.089,11 0.05,12 0.028,13 24.774,14 0.264,15 0.463,16 1.01,17 1.187,18 0.664,21 3.936,22 0.158,23 24.186,24 0.756,25 1,26 1.012,27 2.91,28 0.866,29 -0.069,30 1.016,31 161.16,32 3.876,33 0.533,34 1,35 6,36 1.393,37 4.876,38 401.46,39 6.652,40 1.576,41 12.655,42 4.95,43 24.502,44 106.931,45 7.872,46 0.581,47 4.023,48 4.127,49 3.61,50 3.572,51 5.188,52 3.563,53 4.557,54 4.702,55 4.009,56 3.927,57 6.142,58 3.904,59 4.778,60 4.969,61 3.99,62 4.03,63 5.958,64 3.971,65 4.882,66 5.107,67 3.894,68 3.945,69 6.051,70 3.886,71 4.787,72 5.017,73 3.833,74 3.896,75 5.898,76 3.832,77 4.78,78 5.009,79 3.848,80 3.901,81 6.141,82 3.83,83 4.737,84 4.968,85 3.765,86 3.902,87 5.953,88 3.812,89 4.662,90 4.896,91 3.647,92 3.852,93 5.705,94 3.748,95 0.113,96 0.875,97 9.356,98 5.157,99 26.078,100 5.823,101 0.817,102 1.739,103 19.086,104 8.344,105 139.352,106 9.549,107 0.39,108 1.568,109 10.655,110 43.265,111 13.226,112 0.775,113 1.682,114 31.419,115 11.042,116 99.747,117 13.183,118 0.597,119 1.539,120 28.13,121 10.1,122 88.175,123 12.506,124 0.989,125 1.534,126 28.672,127 10.094,128 12.433,129 0.843,130 1.533,131 27.075,132 9.914,133 103.103,134 12.3,135 0.435,136 1.308,137 9.553,138 66.721,139 12.302,140 18,141 42,142 0.265,143 0.529,144 0.67,145 0.806,146 0.882,147 0.891,148 3.407,149 -5.63,150 -5.5,151 -5.13,153 45.1,157 3,160 1,164 13,165 4,177 16,180 3,183 2,184 16,188 4,192 1,193 4,194 8,198 3,200 1,203 2,206 1,210 5,211 7,218 3,219 12,223 1,224 1,226 4,229 14,233 2,236 3,238 12,241 2,244 2,246 9,249 1421,250 19.3,251 19.3,252 19.3,253 19.3,254 19.3,255 17.137,256 22.498,257 11.632,258 19.754,259 15.323,260 15.323,261 15.323,262 15.323,263 15.323,264 12.141,265 29.734,266 5.531,267 16.153,268 4.096,269 2.522,270 1.686,271 0.875,272 0.422,273 0.368,274 4.089,277 1,278 773,279 4.062,281 315.323,283 2.012,284 43.45,287 0.75,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.86,295 65,296 367,297 4.461,298 4.461,299 7.118,300 4.188,301 3.323,302 3.887,303 3.825,304 11.698,305 2.937,306 4.201,307 3.189,308 6.14,309 3.821,310 2.856,311 3.805,312 1.151,313 9.041,314 2.754,315 3.946,316 3.14,317 6.02,318 3.701,319 2.746,320 3.44,321 0.765,322 8.564,323 2.567,324 3.887,325 2.752,326 5.338,327 3.493,328 2.5,329 3.19,330 0.657,331 6.957,332 2.481,333 3.137,334 2.208,335 4.692,336 2.824,337 1.892,338 2.269,340 5.045,341 1.739,342 2.994,343 2.094,344 4.44,345 2.637,346 1.694,347 2.161,349 4.457,350 1.586,351 2.937,352 1.714,353 4.097,354 2.515,355 1.533,356 2.104,358 3.506,359 1.502,360 2.857,361 1.526,362 3.668,363 2.402,364 1.414,365 2.003,366 3.166,367 1.392,368 2.601,369 1.474,370 3.598,371 2.249,372 1.292,373 1.632,374 3.015,375 1.223,376 2.539,377 1.234,378 3.484,379 2.089,380 1.109,381 1.552,382 2.52,383 1.076,384 2.5,385 1.062,386 3.247,387 2,388 1,389 1.5,390 2.136,391 1,392 2.041,393 1,394 3.239,395 1.77,396 0.83,397 0.975,398 1.89,399 0.775,400 1.831,401 0.957,402 3.07,403 1.534,404 0.626,405 0.736,406 1.426,407 0.562,408 1.163,409 0.51,410 2.736,411 0.917,412 -0.03,413 -0.034,414 -0.069,415 -0.028,416 0.826,417 0.51,418 2.566,419 0.502,420 -0.453,421 -0.535,422 -1.06,423 -0.428,424 13.424,425 0.74,426 0.026,427 36,428 1.241,429 18.5,430 0.638,431 17.5,432 0.603,433 22.75,434 0.784,435 32.176,436 0.631,437 29.467,438 7.679,439 0.265,440 6.253,441 0.216,442 0.089,443 0.037,444 0.223,445 3,447 0.645,448 0.903,449 0.722,450 0.66,451 0.927,452 0.602,453 0.864,454 1.028,455 0.458,456 1.035,457 0.651,458 0.946,459 1.133,460 1.122,461 0.967,462 0.974,463 1.03,464 0.949,465 0.914,466 0.963,467 0.969,468 0.846,469 0.97,470 0.853,471 0.844,472 0.983,473 0.873,474 0.811,475 0.941,476 0.866,477 0.742,478 0.907,479 0.966,480 1.014,481 7.301}
{0 CHEMBL372730,1 -0.004,2 2.014,3 1.812,4 -0.534,5 1.102,6 0.446,7 0.669,8 0.65,9 0.367,10 0.136,11 0.082,12 0.05,13 36.449,14 0.034,15 0.53,16 0.74,17 1.054,18 0.729,19 1,20 2,21 6.881,22 0.222,23 22.813,24 0.994,25 0.316,26 0.912,27 3.279,28 0.915,29 -0.084,30 0.709,31 36.101,32 4.17,33 0.909,34 2,35 4,36 1.285,37 4.3,38 367.29,39 6.227,40 1.803,41 10.143,42 3.07,43 9.424,44 88.015,45 10.202,46 0.5,47 3.673,48 3.764,49 3.549,50 3.319,51 4.841,52 3.254,53 4.162,54 4.297,55 3.918,56 3.675,57 5.256,58 3.574,59 4.372,60 4.549,61 4.117,62 3.736,63 5.498,64 3.587,65 4.375,66 4.577,67 3.65,68 3.613,69 5.39,70 3.493,71 4.388,72 4.61,73 3.77,74 3.622,75 5.411,76 3.475,77 4.327,78 4.574,79 3.558,80 3.538,81 5.338,82 3.37,83 4.124,84 4.342,85 3.509,86 3.396,87 5.33,88 3.253,89 3.969,90 4.162,91 3.524,92 3.333,93 5.075,94 3.182,95 0.058,96 0.476,97 4.187,98 3.39,99 13.537,100 3.784,101 0.165,102 0.762,103 11.179,104 6.04,105 21.172,106 6.438,107 0.34,108 0.9,109 8.869,110 41.744,111 8.977,112 0.322,113 0.915,114 20.311,115 7.704,116 33.237,117 8.673,118 0.314,119 0.912,120 25.606,121 8.041,122 38.9,123 9.227,124 0.285,125 0.865,126 35.295,127 8.179,128 9.406,129 0.307,130 0.702,131 18.526,132 6.109,133 45.767,134 7.118,135 0.208,136 0.587,137 6.064,138 31.351,139 6.264,140 13,141 28,142 0.329,143 0.707,144 0.845,145 0.904,146 0.914,147 0.914,148 3.101,149 -2.87,150 -2.88,151 -2.79,152 1,153 41.7,157 3,164 5,165 1,168 1,169 1,170 1,177 4,180 2,183 1,184 6,187 1,188 2,192 1,193 3,194 3,198 1,200 1,206 2,210 3,215 2,218 2,219 2,223 1,224 2,226 2,229 2,233 2,236 1,238 5,246 3,249 582,250 14.267,251 14.267,252 14.267,253 14.267,254 14.267,255 12.687,256 17.327,257 8.873,258 14.865,259 10.831,260 10.831,261 10.831,262 10.831,263 10.831,264 8.442,265 21.362,266 4.165,267 11.913,268 3.367,269 1.299,270 0.545,271 0.222,272 0.167,273 0.167,274 3.763,276 1,277 1,278 438,279 3.317,280 64.526,281 79.059,283 1.401,284 19.676,286 1,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 44.75,296 213,297 4.199,298 4.052,299 6.138,300 3.817,301 2.872,302 3.803,303 2.599,304 9.034,305 2.75,306 4.17,307 3.225,308 6.066,309 3.76,310 2.835,311 3.759,312 0.765,313 8.75,314 2.566,315 3.492,316 3.14,317 4.993,318 3.062,319 2.198,320 2.581,321 0.764,322 5.87,323 1.813,324 3.413,325 2.75,326 4.458,327 2.696,328 1.777,329 2.19,330 0.657,331 4.526,332 1.616,333 2.957,334 2.292,335 4.021,336 2.514,337 1.552,338 2.11,340 3.457,341 1.488,342 2.919,343 1.826,344 3.652,345 2.248,346 1.325,347 1.893,349 3.092,350 1.223,351 2.582,352 1.564,353 3.37,354 2.197,355 1.267,356 1.598,358 2.449,359 1.118,360 2.21,361 1.446,362 3.284,363 1.723,364 0.876,365 1.103,366 1.958,367 0.705,368 2.021,369 1.198,370 3.201,371 1.514,372 0.648,373 0.867,374 1.575,375 0.544,376 1.877,377 0.716,378 2.586,379 1.242,380 0.347,381 0.478,382 0.6,383 0.308,384 1.15,385 0.537,386 2.359,387 0.803,388 -0.116,389 -0.137,390 -0.232,391 -0.105,392 0.73,393 0.162,394 2,395 0.318,396 -0.604,397 -0.755,398 -1.221,399 -0.342,400 0.489,401 -0.037,402 1.809,403 0.1,404 -0.764,405 -0.88,406 -1.786,407 -0.554,408 0.43,409 -0.406,410 1.601,411 -0.154,412 -0.877,413 -1.16,414 -2.005,415 -0.849,416 0.168,417 -0.711,418 1.426,419 -0.273,420 -1.226,421 -1.437,422 -2.449,423 -1.117,424 11.133,425 0.383,426 0.018,427 26,428 1.238,429 13.5,430 0.643,431 12.5,432 0.595,433 17.652,434 0.841,435 21.867,436 0.607,437 14.895,438 4.939,439 0.235,440 5.264,441 0.251,442 0.186,444 0.225,447 0.923,448 1.02,449 0.521,450 0.761,451 0.799,452 1.169,453 0.659,454 0.843,455 0.757,456 0.914,457 0.993,458 1.067,459 1.073,460 1.135,461 1.121,462 0.824,463 1.016,464 0.952,465 1.076,466 0.721,467 0.91,468 0.858,469 1.044,470 0.832,471 0.959,472 1.024,473 1.006,474 0.802,475 0.991,476 0.84,477 0.801,478 0.762,479 1.29,480 0.905,481 7.31}
{0 CHEMBL373071,1 0.006,2 2.016,3 1.816,4 -0.56,5 1.089,6 0.446,7 0.633,8 0.645,9 0.363,10 0.134,11 0.081,12 0.048,13 39.022,14 0.051,15 0.521,16 0.74,17 1.023,18 0.704,19 1,20 2,21 6.881,22 0.218,23 28.8,24 1.028,25 0.483,26 0.87,27 3.317,28 0.922,29 -0.042,30 0.719,31 39.822,32 4.17,33 1.109,34 2,35 4,36 1.323,37 4.636,38 385.31,39 6.535,40 1.828,41 10.273,42 2.193,43 4.81,44 90.858,45 9.88,46 0.478,47 3.758,48 3.859,49 3.592,50 3.352,51 4.918,52 3.296,53 4.246,54 4.383,55 3.977,56 3.716,57 5.425,58 3.625,59 4.475,60 4.647,61 4.155,62 3.775,63 5.66,64 3.636,65 4.464,66 4.674,67 3.69,68 3.649,69 5.461,70 3.534,71 4.442,72 4.657,73 3.833,74 3.666,75 5.481,76 3.534,77 4.439,78 4.672,79 3.677,80 3.623,81 5.484,82 3.48,83 4.345,84 4.561,85 3.618,86 3.522,87 5.557,88 3.387,89 4.218,90 4.449,91 3.581,92 3.441,93 5.256,94 3.283,95 0.099,96 0.539,97 5.484,98 3.767,99 15.388,100 4.194,101 0.25,102 0.831,103 13.259,104 6.656,105 33.178,106 7.272,107 0.557,108 0.954,109 9.422,110 61.681,111 9.557,112 0.427,113 0.955,114 23.732,115 8.175,116 39.743,117 9.498,118 0.361,119 0.938,120 26.455,121 8.19,122 40.268,123 9.639,124 0.36,125 0.924,126 36.055,127 8.525,128 9.988,129 0.489,130 0.822,131 22.377,132 7.227,133 60.864,134 8.421,135 0.346,136 0.719,137 7.297,138 43.873,139 8.001,140 20,141 30,142 0.33,143 0.716,144 0.854,145 0.908,146 0.917,147 0.917,148 3.145,149 -2.49,150 -2.52,151 -2.46,152 1,153 38.5,157 3,164 5,165 1,168 1,169 1,170 1,172 1,173 1,174 1,177 4,180 2,181 1,182 1,183 1,184 6,187 1,188 2,190 1,191 1,192 1,193 3,194 3,198 1,200 1,206 2,210 5,213 2,215 2,218 4,219 2,221 2,223 1,224 2,225 1,226 3,228 1,229 2,231 1,233 2,236 1,238 5,246 3,249 674,250 14.552,251 14.552,252 14.552,253 14.552,254 14.552,255 12.971,256 18.239,257 8.852,258 15.085,259 11.348,260 11.348,261 11.348,262 11.348,263 11.348,264 8.992,265 22.598,266 4.217,267 12.323,268 3.458,269 1.321,270 0.554,271 0.256,272 0.205,273 0.205,274 3.805,276 1,277 1,278 463,279 3.606,280 67.875,281 83.67,283 1.479,284 24.258,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 47.75,296 226,297 4.201,298 3.554,299 6.139,300 3.82,301 2.873,302 3.803,303 2.014,304 9.038,305 2.753,306 4.17,307 3.224,308 6.066,309 3.76,310 2.838,311 3.759,312 0.878,313 8.75,314 2.566,315 3.538,316 3.117,317 4.993,318 3.21,319 2.212,320 2.704,321 0.765,322 5.87,323 2.202,324 3.413,325 2.75,326 4.692,327 3.061,328 2.184,329 2.58,330 0.657,331 5.234,332 1.811,333 2.954,334 2.209,335 4.374,336 2.62,337 1.677,338 2.111,340 4.32,341 1.566,342 2.911,343 1.742,344 4.018,345 2.449,346 1.475,347 2.058,349 3.429,350 1.429,351 2.582,352 1.536,353 3.633,354 2.205,355 1.317,356 1.598,358 3.05,359 1.12,360 2.209,361 1.245,362 3.285,363 1.73,364 0.878,365 1.104,366 1.964,367 0.712,368 1.992,369 1.186,370 3.203,371 1.523,372 0.657,373 0.878,374 1.587,375 0.55,376 1.788,377 0.715,378 2.929,379 1.475,380 0.571,381 0.662,382 1.257,383 0.507,384 1.111,385 0.45,386 2.493,387 0.864,388 -0.072,389 -0.08,390 -0.165,391 -0.066,392 0.71,393 0.192,394 2,395 0.36,396 -0.579,397 -0.658,398 -1.346,399 -0.341,400 0.489,401 -0.037,402 1.947,403 0.104,404 -0.763,405 -0.88,406 -1.786,407 -0.536,408 0.446,409 -0.22,410 1.736,411 0.045,412 -0.876,413 -1.094,414 -2,415 -0.848,416 0.428,417 -0.622,418 1.601,419 -0.154,420 -1,421 -1.319,422 -2.067,423 -1.024,424 11.467,425 0.527,426 0.024,427 25.25,428 1.148,429 12,430 0.545,431 13.25,432 0.602,433 19.464,434 0.885,435 23.933,436 0.614,437 15.82,438 4.963,439 0.226,440 5.596,441 0.254,442 0.209,444 0.262,447 0.916,448 1.028,449 0.533,450 0.869,451 0.804,452 0.982,453 0.653,454 0.859,455 0.694,456 0.924,457 1.052,458 1.047,459 1.084,460 1.06,461 1.078,462 0.724,463 0.968,464 0.86,465 1.138,466 0.733,467 0.948,468 0.774,469 1.065,470 0.863,471 1.038,472 1,473 1.037,474 0.811,475 1.027,476 0.984,477 0.835,478 0.763,479 1.279,480 0.954,481 7.377}
{0 CHEMBL373304,1 -0.077,2 2.045,3 2.012,4 -0.631,5 0.94,6 1.098,7 0.963,8 0.563,9 0.313,10 0.095,11 0.053,12 0.03,13 26.548,14 0.008,15 0.478,16 0.995,17 1.186,18 0.664,21 3.92,22 0.174,23 24.601,24 1.074,25 0.653,26 1.036,27 2.886,28 1.002,29 -0.085,30 0.933,31 61.253,32 3.86,33 0.761,34 1,35 8,36 1.388,37 4.68,38 363.49,39 6.432,40 1.376,41 12.407,42 3.403,43 11.581,44 107.773,45 6.99,46 0.621,47 4.024,48 4.135,49 3.521,50 3.584,51 5.121,52 3.548,53 4.523,54 4.678,55 3.799,56 3.944,57 5.567,58 3.879,59 4.781,60 4.983,61 3.864,62 4.051,63 5.792,64 3.953,65 4.862,66 5.094,67 3.743,68 3.974,69 5.826,70 3.86,71 4.789,72 5.031,73 3.679,74 3.929,75 5.714,76 3.812,77 4.762,78 5.003,79 3.663,80 3.931,81 5.763,82 3.808,83 4.732,84 4.972,85 3.658,86 3.928,87 5.727,88 3.801,89 4.676,90 4.924,91 3.554,92 3.874,93 5.586,94 3.737,95 0.061,96 0.666,97 11.378,98 5.133,99 13.716,100 6.57,101 0.16,102 1.066,103 19.784,104 8.196,105 23.682,106 10.688,107 0.206,108 1.327,109 10.735,110 38.008,111 14.477,112 0.379,113 1.375,114 30.356,115 10.902,116 51.291,117 14.721,118 0.287,119 1.302,120 28.032,121 10.195,122 43.913,123 13.996,124 0.39,125 1.268,126 27.309,127 10.069,128 13.868,129 0.397,130 1.236,131 26.287,132 9.993,133 52.257,134 13.829,135 0.197,136 1.178,137 9.639,138 36.134,139 13.394,140 6,141 37,142 0.23,143 0.507,144 0.66,145 0.81,146 0.884,147 0.902,148 3.339,149 -4.24,150 -4.18,151 -3.95,153 44.2,157 4,164 13,165 4,177 16,180 3,183 3,184 16,188 4,192 1,193 6,194 8,198 3,200 1,203 2,206 1,210 6,211 7,217 1,218 3,219 12,223 1,224 1,225 1,226 4,229 14,233 2,236 3,238 12,241 2,244 3,246 9,249 1230,250 18.698,251 18.698,252 18.698,253 18.698,254 18.698,255 16.496,256 22.76,257 11.493,258 18.921,259 14.276,260 14.276,261 14.276,262 14.276,263 14.276,264 11.025,265 30.974,266 5.392,267 14.664,268 4.325,269 2.668,270 1.754,271 0.858,272 0.414,273 0.308,274 4.027,276 1,277 1,278 711,279 3.391,281 290.393,283 1.904,284 21.866,286 1,287 1,288 1,289 0.83,290 0.8,291 0.5,292 1,293 1,294 0.88,295 57.5,296 335,297 4.202,298 3.199,299 6.14,300 3.84,301 2.866,302 3.805,303 1.151,304 9.042,305 2.8,306 4.15,307 3.16,308 6.062,309 3.808,310 2.833,311 3.72,312 0.765,313 8.753,314 2.75,315 3.887,316 2.754,317 5.338,318 3.493,319 2.5,320 3.44,321 0.765,322 6.957,323 2.481,324 3.549,325 2.672,326 5.248,327 3.293,328 2.317,329 2.779,330 0.657,331 6.559,332 2.255,333 3.002,334 2.151,335 4.445,336 2.688,337 1.743,338 2.162,340 4.488,341 1.643,342 2.95,343 1.781,344 4.152,345 2.539,346 1.567,347 2.117,349 3.757,350 1.519,351 2.859,352 1.624,353 3.668,354 2.43,355 1.447,356 2.006,358 3.178,359 1.418,360 2.794,361 1.504,362 3.599,363 2.402,364 1.414,365 1.891,366 3.02,367 1.391,368 2.544,369 1.313,370 3.488,371 2.153,372 1.168,373 1.556,374 2.584,375 1.148,376 2.5,377 1.067,378 3.247,379 2,380 1,381 1.5,382 2.136,383 1,384 2.043,385 1,386 3.24,387 1.774,388 0.833,389 0.978,390 1.895,391 0.778,392 1.831,393 0.957,394 3.07,395 1.534,396 0.626,397 0.736,398 1.427,399 0.562,400 1.583,401 0.934,402 2.697,403 1.32,404 0.427,405 0.479,406 0.621,407 0.375,408 1.163,409 0.355,410 2.563,411 0.917,412 -0.03,413 -0.034,414 -0.069,415 -0.028,416 0.821,417 -0.114,418 2.24,419 0.501,420 -0.454,421 -0.535,422 -1.059,423 -0.428,424 12.9,425 0.414,426 0.015,427 34.5,428 1.278,429 18.5,430 0.685,431 16,432 0.593,433 20.26,434 0.75,435 29.1,436 0.56,437 25.181,438 7.295,439 0.27,440 5.963,441 0.221,442 0.052,444 0.233,447 0.988,448 1.066,449 0.896,450 1.042,451 0.94,452 1.162,453 1.082,454 1.057,455 1.014,456 1.052,457 0.88,458 1.209,459 1.124,460 1.348,461 1.08,462 1.126,463 1.035,464 1.185,465 1.028,466 1.026,467 0.975,468 1.048,469 0.974,470 1.035,471 0.923,472 1.001,473 0.899,474 0.988,475 0.935,476 0.83,477 0.914,478 0.918,479 0.93,480 0.951,481 6.244}
{0 CHEMBL373366,1 -0.043,2 2.019,3 1.899,4 -0.576,5 1.083,6 0.515,7 0.612,8 0.641,9 0.361,10 0.131,11 0.079,12 0.047,13 48.739,14 0.083,15 0.507,16 0.876,17 0.984,18 0.677,19 1,20 2,21 6.881,22 0.212,23 35.309,24 1.049,25 0.483,26 0.905,27 3.778,28 0.898,29 -0.07,30 0.785,31 55.956,32 4.171,33 1.184,34 2,35 4,36 1.312,37 4.636,38 470.43,39 7.829,40 1.787,41 13.714,42 1.707,43 2.914,44 113.258,45 9.047,46 0.379,47 4.03,48 4.143,49 3.778,50 3.571,51 5.151,52 3.522,53 4.549,54 4.716,55 4.14,56 3.93,57 5.66,58 3.843,59 4.784,60 4.979,61 4.307,62 4.002,63 5.914,64 3.881,65 4.777,66 4.978,67 3.931,68 3.903,69 5.908,70 3.804,71 4.78,72 5.015,73 4.029,74 3.924,75 5.868,76 3.792,77 4.752,78 4.99,79 3.885,80 3.9,81 5.738,82 3.763,83 4.689,84 4.905,85 3.913,86 3.85,87 5.853,88 3.738,89 4.634,90 4.854,91 3.918,92 3.837,93 5.71,94 3.709,95 0.107,96 0.736,97 9.16,98 5.018,99 14.396,100 5.969,101 0.371,102 1.128,103 21.214,104 8.499,105 36.259,106 10.114,107 0.646,108 1.261,109 11.734,110 72.18,111 12.943,112 0.746,113 1.243,114 30.819,115 9.937,116 83.084,117 12.098,118 0.62,119 1.244,120 37.279,121 10.727,122 82.716,123 13.66,124 0.502,125 1.197,126 43.414,127 10.829,128 13.471,129 0.669,130 1.12,131 30.431,132 9.613,133 77.726,134 11.93,135 0.514,136 1.08,137 9.902,138 59.606,139 11.745,140 34,141 37,142 0.302,143 0.66,144 0.845,145 0.909,146 0.915,147 0.915,148 3.373,149 -2.22,150 -2.26,151 -2.23,152 1,153 36.5,155 1,156 1,157 4,164 5,165 1,168 1,169 1,170 2,177 4,180 4,182 2,183 2,184 6,188 2,191 1,192 2,193 3,194 3,197 1,198 1,200 2,203 2,205 1,206 1,208 1,210 4,211 2,215 2,218 5,219 3,222 1,223 2,224 2,226 4,229 2,233 3,234 1,235 1,236 2,238 5,241 2,244 3,246 3,249 1506,250 18.698,251 18.698,252 18.698,253 18.698,254 18.698,255 17.015,256 23.959,257 11.38,258 19.355,259 14.225,260 14.225,261 14.225,262 14.225,263 14.225,264 11.563,265 27.138,266 5.339,267 15.288,268 3.914,269 1.792,270 0.699,271 0.322,272 0.284,273 0.284,274 4.038,277 1,278 780,279 4.472,280 89.587,281 113.636,283 2.378,284 33.275,287 1,288 0.67,289 0.83,290 1,291 1,292 0.83,293 0.5,294 0.83,295 61.25,296 384,297 4.199,298 3.635,299 6.138,300 3.818,301 2.872,302 3.803,303 1.97,304 9.034,305 2.751,306 4.17,307 3.513,308 6.066,309 3.76,310 2.835,311 3.759,312 1.891,313 8.75,314 2.566,315 3.73,316 3.225,317 5.125,318 3.458,319 2.458,320 2.911,321 0.86,322 6.305,323 2.444,324 3.535,325 3.142,326 4.993,327 3.215,328 2.203,329 2.697,330 0.765,331 5.87,332 2.22,333 3.414,334 2.75,335 4.871,336 3.062,337 2.191,338 2.581,339 0.657,340 5.598,341 1.812,342 2.969,343 2.258,344 4.452,345 2.658,346 1.73,347 2.113,348 0.313,349 4.505,350 1.589,351 2.931,352 1.779,353 4.02,354 2.485,355 1.519,356 2.094,357 0.062,358 3.452,359 1.462,360 2.582,361 1.546,362 3.649,363 2.208,364 1.319,365 1.598,366 3.083,367 1.121,368 2.253,369 1.438,370 3.39,371 2.031,372 1.082,373 1.213,374 2.366,375 1.018,376 2.202,377 1.37,378 3.285,379 1.722,380 0.876,381 1.097,382 1.958,383 0.704,384 1.955,385 1.197,386 3.202,387 1.585,388 0.66,389 0.856,390 1.577,391 0.6,392 1.776,393 1.089,394 2.957,395 1.512,396 0.634,397 0.687,398 1.253,399 0.542,400 1.45,401 0.718,402 2.559,403 1.139,404 0.174,405 0.196,406 0.298,407 0.164,408 1.295,409 0.677,410 2.397,411 1.007,412 0.027,413 0.032,414 0.051,415 0.026,416 0.9,417 0.332,418 2,419 0.648,420 -0.301,421 -0.339,422 -0.681,423 -0.277,424 14.2,425 0.596,426 0.021,427 30.75,428 1.098,429 13.5,430 0.482,431 17.25,432 0.616,433 26.813,434 0.958,435 31.4,436 0.604,437 21.988,438 6.172,439 0.22,440 7.318,441 0.261,442 0.2,444 0.246,447 0.854,448 1.263,449 0.554,450 0.701,451 0.919,452 0.928,453 0.662,454 0.875,455 0.702,456 0.945,457 1.192,458 1.007,459 1.017,460 1.26,461 1.072,462 1.296,463 1.043,464 0.773,465 1.006,466 0.7,467 0.893,468 0.611,469 0.991,470 0.953,471 0.966,472 0.97,473 0.995,474 0.806,475 0.995,476 0.958,477 0.911,478 0.784,479 1.099,480 0.928,481 7.444}
{0 CHEMBL381232,1 -0.136,2 2.04,3 1.993,4 -1.021,5 0.887,6 1.094,7 1.041,8 0.548,9 0.296,10 0.088,11 0.051,12 0.028,13 19.209,14 0.325,15 0.453,16 1.101,17 1.194,18 0.642,21 3.927,22 0.154,23 14.944,24 0.702,25 0.826,26 1.08,27 2.233,28 0.812,29 -0.13,30 0.934,31 168.715,32 3.854,33 0.544,34 1,35 6,36 1.374,37 4.863,38 325.36,39 5.082,40 1.667,41 9.826,42 3.366,43 11.333,44 82.318,45 7.936,46 0.5,47 3.808,48 3.916,49 3.389,50 3.298,51 5.002,52 3.303,53 4.353,54 4.509,55 3.804,56 3.643,57 6.026,58 3.639,59 4.528,60 4.714,61 3.786,62 3.763,63 5.774,64 3.723,65 4.665,66 4.885,67 3.698,68 3.71,69 5.903,70 3.663,71 4.603,72 4.843,73 3.565,74 3.625,75 5.75,76 3.554,77 4.576,78 4.838,79 3.491,80 3.497,81 5.993,82 3.419,83 4.383,84 4.64,85 3.332,86 3.363,87 5.687,88 3.294,89 4.154,90 4.375,91 3.249,92 3.298,93 5.336,94 3.244,95 0.154,96 0.752,97 7.614,98 4.158,99 28.209,100 4.631,101 0.883,102 1.481,103 16.424,104 6.526,105 143.544,106 7.473,107 0.448,108 1.282,109 8.073,110 45.124,111 9.979,112 0.805,113 1.37,114 25.131,115 8.451,116 101.463,117 10.194,118 0.651,119 1.24,120 23.795,121 7.901,122 90.48,123 10.194,124 1.077,125 1.098,126 25.488,127 7.386,128 9.648,129 0.89,130 0.974,131 21.106,132 6.271,133 108.641,134 7.858,135 0.42,136 0.802,137 5.571,138 63.268,139 6.761,140 30,141 33,142 0.299,143 0.603,144 0.754,145 0.859,146 0.9,147 0.9,148 3.187,149 -4.55,150 -4.47,151 -4.21,153 41.5,156 1,157 2,160 1,164 8,165 3,177 10,180 2,183 2,184 10,188 2,192 1,193 4,194 5,198 1,200 1,210 5,211 1,218 2,219 3,223 1,224 1,226 2,229 6,233 2,236 1,238 8,241 2,246 7,249 719,250 15.032,251 15.032,252 15.032,253 15.032,254 15.032,255 13.62,256 19.267,257 8.866,258 15.546,259 11.767,260 11.767,261 11.767,262 11.767,263 11.767,264 9.606,265 25.073,266 4.079,267 12.59,268 3.69,269 1.988,270 1.147,271 0.561,272 0.33,273 0.33,274 3.845,276 1,277 1,278 462,279 3.873,281 170.787,283 1.516,284 40.639,285 1,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 53,296 226,297 4.461,298 4.461,299 7.118,300 4.188,301 3.323,302 3.887,303 3.825,304 11.698,305 2.937,306 4.192,307 3.167,308 6.13,309 3.808,310 2.841,311 3.8,312 0.86,313 8.981,314 2.746,315 3.946,316 3.116,317 6.02,318 3.7,319 2.745,320 3.19,321 0.765,322 8.563,323 2.567,324 3.137,325 2.224,326 4.692,327 2.823,328 1.891,329 2.269,330 0.657,331 5.044,332 1.737,333 2.947,334 2.104,335 4.415,336 2.61,337 1.666,338 2.106,340 4.334,341 1.563,342 2.917,343 1.661,344 4.095,345 2.457,346 1.483,347 2.069,349 3.483,350 1.436,351 2.601,352 1.48,353 3.632,354 2.25,355 1.292,356 1.632,358 3.047,359 1.224,360 2.539,361 1.234,362 3.484,363 2.089,364 1.109,365 1.552,366 2.52,367 1.076,368 2.031,369 1.062,370 3.239,371 1.769,372 0.829,373 0.968,374 1.884,375 0.774,376 1.653,377 0.939,378 2.759,379 1.378,380 0.496,381 0.56,382 0.794,383 0.433,384 1.031,385 0.51,386 2.708,387 0.807,388 -0.121,389 -0.133,390 -0.241,391 -0.111,392 0.737,393 0.51,394 2.47,395 0.331,396 -0.645,397 -0.793,398 -1.403,399 -0.621,400 0.61,401 0.306,402 2,403 0.222,404 -0.711,405 -0.869,406 -1.603,407 -0.654,408 0.578,409 -0.297,410 2,411 0.138,412 -0.837,413 -1,414 -2.084,415 -0.7,416 0.451,417 -0.386,418 2,419 0.075,420 -0.897,421 -1,422 -2.406,423 -0.7,424 10.424,425 0.672,426 0.029,427 26.5,428 1.152,429 12.5,430 0.543,431 14,432 0.609,433 17.715,434 0.77,435 26.776,436 0.653,437 21.477,438 5.8,439 0.252,440 5.114,441 0.222,442 0.162,443 0.048,444 0.24,445 3,447 0.665,448 0.958,449 0.718,450 0.672,451 0.983,452 0.624,453 0.808,454 0.944,455 0.458,456 0.954,457 0.634,458 0.955,459 1.124,460 1.046,461 1.017,462 0.978,463 1.103,464 0.85,465 0.974,466 0.99,467 1.107,468 0.822,469 1.11,470 0.833,471 0.831,472 0.963,473 0.851,474 0.812,475 0.923,476 1.011,477 0.682,478 0.737,479 1.135,480 0.853,481 6.796}
{0 CHEMBL382299,1 -0.019,2 2.026,3 1.971,4 -0.526,5 1.037,6 0.727,7 0.651,8 0.646,9 0.346,10 0.108,11 0.064,12 0.037,13 26.411,14 0.095,15 0.52,16 0.841,17 1.065,18 0.687,19 1,20 1,21 6.88,22 0.201,23 21.234,24 0.989,25 0.361,26 0.951,27 2.441,28 0.941,29 -0.071,30 0.738,31 29.278,32 3.877,33 0.979,34 2,35 5,36 1.334,37 4.176,38 336.25,39 5.429,40 1.536,41 9,42 3.173,43 10.065,44 83.967,45 8.849,46 0.571,47 3.711,48 3.82,49 3.419,50 3.29,51 4.798,52 3.241,53 4.209,54 4.37,55 3.783,56 3.649,57 5.237,58 3.568,59 4.436,60 4.629,61 3.847,62 3.765,63 5.456,64 3.644,65 4.497,66 4.718,67 3.735,68 3.688,69 5.466,70 3.547,71 4.474,72 4.721,73 3.679,74 3.608,75 5.413,76 3.44,77 4.375,78 4.654,79 3.366,80 3.472,81 5.197,82 3.282,83 4.143,84 4.392,85 3.31,86 3.339,87 5.116,88 3.191,89 4.02,90 4.239,91 3.304,92 3.297,93 5.032,94 3.163,95 0.032,96 0.484,97 6.711,98 3.675,99 9.53,100 4.625,101 0.133,102 0.764,103 14.385,104 6.07,105 17.502,106 7.558,107 0.184,108 0.92,109 8.301,110 28.44,111 10.309,112 0.27,113 0.955,114 26.042,115 8.311,116 34.258,117 10.414,118 0.276,119 0.93,120 32.462,121 8.345,122 36.686,123 10.492,124 0.246,125 0.828,126 33.856,127 7.682,128 9.997,129 0.232,130 0.643,131 20.534,132 6.243,133 28.554,134 8.035,135 0.124,136 0.565,137 5.783,138 22.315,139 7.039,140 11,141 27,142 0.28,143 0.601,144 0.766,145 0.881,146 0.914,147 0.914,148 3.056,149 -4.31,150 -4.25,151 -4.01,152 1,153 42.1,156 1,157 2,164 8,165 2,177 8,180 2,183 2,184 10,188 2,192 1,193 4,194 6,198 1,200 1,203 1,210 5,211 1,218 3,219 3,223 1,224 1,226 2,229 5,233 2,236 1,238 8,241 1,246 6,249 468,250 13.56,251 13.56,252 13.56,253 13.56,254 13.56,255 12.057,256 16.456,257 8.225,258 13.987,259 10.293,260 10.293,261 10.293,262 10.293,263 10.293,264 8.068,265 21.121,266 3.794,267 10.953,268 3.712,269 1.947,270 1.04,271 0.408,272 0.23,273 0.23,274 3.717,276 1,277 1,278 372,279 3,281 145.04,283 1.3,284 14.691,286 1,287 1,288 1,289 1,290 1,291 0.5,292 1,293 1,294 0.93,295 42.25,296 180,297 4.193,298 3.204,299 6.13,300 3.82,301 2.853,302 3.8,303 0.86,304 8.981,305 2.755,306 4.133,307 3.126,308 6.052,309 3.784,310 2.817,311 3.702,312 0.765,313 8.696,314 2.719,315 3.494,316 2.772,317 5.001,318 3.113,319 2.232,320 2.728,321 0.657,322 5.922,323 1.903,324 2.965,325 2.178,326 4.417,327 2.652,328 1.715,329 2.116,331 4.361,332 1.594,333 2.917,334 1.744,335 4.104,336 2.46,337 1.497,338 2.074,340 3.645,341 1.436,342 2.766,343 1.564,344 3.632,345 2.365,346 1.414,347 1.857,349 3.054,350 1.281,351 2.544,352 1.291,353 3.476,354 2.136,355 1.157,356 1.556,358 2.559,359 1.111,360 2.032,361 1.064,362 3.236,363 1.77,364 0.831,365 0.97,366 1.886,367 0.775,368 1.653,369 0.939,370 2.736,371 1.378,372 0.497,373 0.56,374 0.794,375 0.433,376 1.035,377 0.306,378 2.474,379 0.807,380 -0.121,381 -0.133,382 -0.241,383 -0.111,384 0.921,385 0.18,386 2,387 0.397,388 -0.406,389 -0.51,390 -0.898,391 -0.211,392 0.637,393 -0.297,394 2,395 0.243,396 -0.69,397 -0.799,398 -1.416,399 -0.634,400 0.58,401 -0.457,402 1.917,403 0.15,404 -0.796,405 -1.007,406 -2.07,407 -0.74,408 0.451,409 -0.735,410 1.533,411 0.075,412 -0.897,413 -1.197,414 -2.087,415 -0.872,416 -0.071,417 -1.103,418 1.329,419 -0.438,420 -1.33,421 -1.578,422 -3.36,423 -1.087,424 10.4,425 0.383,426 0.019,427 24.25,428 1.213,429 12.5,430 0.625,431 11.75,432 0.588,433 16.006,434 0.8,435 21.4,436 0.563,437 14.755,438 4.922,439 0.246,440 4.78,441 0.239,442 0.208,444 0.24,447 0.938,448 1.133,449 0.515,450 1.014,451 0.895,452 1.214,453 0.614,454 0.791,455 1.011,456 0.896,457 0.963,458 1.16,459 1.069,460 1.237,461 1.149,462 1.257,463 1.053,464 1.06,465 1.124,466 0.911,467 1.054,468 1.183,469 1.074,470 0.899,471 0.879,472 1.004,473 0.974,474 0.848,475 0.947,476 0.735,477 0.812,478 0.8,479 0.848,480 0.84,481 6.959}
{0 CHEMBL383821,1 -0.027,2 2.033,3 1.987,4 -0.962,5 0.87,6 0.915,7 0.919,8 0.542,9 0.29,10 0.087,11 0.048,12 0.027,13 18.765,14 0.459,15 0.448,16 1.167,17 1.131,18 0.638,21 3.906,22 0.149,23 19.354,24 0.566,25 0.66,26 1.172,27 2.229,28 0.824,29 -0.21,30 0.954,31 96.72,32 3.845,33 0.435,34 2,35 5,36 1.332,37 4.865,38 341.36,39 5.079,40 1.724,41 10.5,42 4.544,43 20.648,44 83.919,45 8.128,46 0.48,47 3.844,48 3.944,49 3.443,50 3.295,51 5.055,52 3.319,53 4.392,54 4.535,55 3.874,56 3.627,57 6.151,58 3.636,59 4.516,60 4.699,61 3.739,62 3.752,63 5.647,64 3.707,65 4.633,66 4.837,67 3.748,68 3.728,69 5.837,70 3.684,71 4.684,72 4.918,73 3.655,74 3.665,75 5.921,76 3.613,77 4.576,78 4.831,79 3.521,80 3.539,81 5.706,82 3.478,83 4.451,84 4.678,85 3.552,86 3.412,87 6,88 3.384,89 4.324,90 4.553,91 3.361,92 3.327,93 5.674,94 3.297,95 0.212,96 0.753,97 7.565,98 4.195,99 31.452,100 4.525,101 1.27,102 1.369,103 17.177,104 6.374,105 163.214,106 7.35,107 0.56,108 1.111,109 7.761,110 56.046,111 9.789,112 0.732,113 1.256,114 22.694,115 8.174,116 66.628,117 10.372,118 1.014,119 1.326,120 26.411,121 8.248,122 115.219,123 10.271,124 0.842,125 1.146,126 24.503,127 7.471,128 9.736,129 1.14,130 1.004,131 21.923,132 6.653,133 169.829,134 8.099,135 0.899,136 0.934,137 5.777,138 105.543,139 6.73,140 31,141 34,142 0.307,143 0.609,144 0.764,145 0.866,146 0.903,147 0.903,148 3.227,149 -3.74,150 -3.7,151 -3.52,153 40.5,156 1,157 2,161 1,164 8,165 2,177 8,180 4,183 2,184 8,188 4,192 1,193 4,194 4,198 2,200 1,208 1,210 4,211 1,216 1,218 2,219 3,223 1,224 1,226 2,229 5,233 3,236 1,238 7,241 2,246 5,249 846,250 15.662,251 15.662,252 15.662,253 15.662,254 15.662,255 14.212,256 20.001,257 9.326,258 16.363,259 12.297,260 12.297,261 12.297,262 12.297,263 12.297,264 10.107,265 26.138,266 4.345,267 13.48,268 3.668,269 1.97,270 1.102,271 0.53,272 0.322,273 0.322,274 3.887,277 1,278 514,279 4,281 180.39,283 1.708,284 38.84,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 56,296 252,297 4.241,298 4.437,299 6.459,300 3.928,301 3.144,302 3.8,303 4.032,304 10.208,305 2.782,306 4.192,307 3.186,308 6.13,309 3.809,310 2.846,311 3.738,312 0.86,313 8.981,314 2.74,315 4.025,316 3.123,317 6.05,318 3.745,319 2.803,320 3.126,321 0.765,322 8.709,323 2.351,324 3.463,325 2.611,326 5.173,327 3.147,328 2.217,329 2.666,330 0.657,331 6.416,332 2.008,333 2.965,334 2.176,335 4.42,336 2.66,337 1.716,338 2.116,339 0.394,340 4.371,341 1.616,342 2.917,343 1.733,344 4.148,345 2.462,346 1.499,347 2.074,349 3.725,350 1.437,351 2.77,352 1.559,353 3.633,354 2.394,355 1.421,356 1.86,358 3.057,359 1.372,360 2.544,361 1.29,362 3.493,363 2.144,364 1.16,365 1.556,366 2.581,367 1.139,368 2.032,369 1.064,370 3.244,371 1.771,372 0.831,373 0.97,374 1.888,375 0.776,376 1.653,377 0.939,378 3.08,379 1.378,380 0.497,381 0.56,382 0.794,383 0.433,384 1.125,385 0.51,386 2.735,387 0.81,388 -0.1,389 -0.116,390 -0.239,391 -0.086,392 1.024,393 0.51,394 2.473,395 0.77,396 -0.122,397 -0.134,398 -0.295,399 -0.112,400 0.649,401 0.472,402 2,403 0.271,404 -0.684,405 -0.797,406 -1.413,407 -0.633,408 0.581,409 0.306,410 2,411 0.168,412 -0.773,413 -0.966,414 -1.95,415 -0.7,416 0.452,417 -0.297,418 2,419 0.076,420 -0.897,421 -1,422 -2.084,423 -0.7,424 10.757,425 0.699,426 0.029,427 28,428 1.167,429 13,430 0.542,431 15,432 0.625,433 18.256,434 0.761,435 28.243,436 0.672,437 22.889,438 6.163,439 0.257,440 5.224,441 0.218,442 0.157,443 0.046,444 0.232,446 3,447 0.711,448 0.999,449 0.701,450 0.69,451 0.999,452 0.47,453 0.773,454 0.891,455 0.349,456 0.951,457 0.571,458 0.766,459 1.12,460 0.736,461 0.935,462 0.596,463 1.153,464 0.969,465 1.001,466 1.07,467 1.04,468 0.964,469 1.082,470 0.844,471 0.871,472 0.905,473 0.921,474 0.807,475 0.935,476 0.871,477 0.911,478 0.871,479 0.937,480 0.901,481 6.721}
{0 CHEMBL426095,1 -0.114,2 2.045,3 2.003,4 -0.98,5 0.911,6 1.067,7 1.043,8 0.554,9 0.304,10 0.095,11 0.053,12 0.03,13 19.415,14 0.32,15 0.459,16 1.035,17 1.199,18 0.647,21 3.928,22 0.162,23 14.23,24 0.709,25 0.764,26 1.149,27 2.192,28 0.844,29 -0.203,30 0.888,31 153.998,32 3.858,33 0.517,35 7,36 1.402,37 4.75,38 309.36,39 5.196,40 1.589,41 9.727,42 3.869,43 14.969,44 80.896,45 7.734,46 0.522,47 3.771,48 3.887,49 3.331,50 3.302,51 4.936,52 3.287,53 4.319,54 4.484,55 3.765,56 3.662,57 5.991,58 3.634,59 4.523,60 4.721,61 3.721,62 3.785,63 5.739,64 3.717,65 4.661,66 4.902,67 3.604,68 3.708,69 5.855,70 3.624,71 4.591,72 4.865,73 3.475,74 3.558,75 5.697,76 3.472,77 4.439,78 4.688,79 3.431,80 3.422,81 5.923,82 3.348,83 4.332,84 4.599,85 3.259,86 3.336,87 5.616,88 3.257,89 4.103,90 4.322,91 3.134,92 3.281,93 5.293,94 3.205,95 0.105,96 0.75,97 7.641,98 4.11,99 25.813,100 4.738,101 0.762,102 1.5,103 15.997,104 6.626,105 137.862,106 7.897,107 0.325,108 1.307,109 8.323,110 37.852,111 10.556,112 0.578,113 1.387,114 25.28,115 8.769,116 91.872,117 11.031,118 0.562,119 1.197,120 24.813,121 7.695,122 89.746,123 10.314,124 0.87,125 1.045,126 21.638,127 6.859,128 8.602,129 0.705,130 0.969,131 19.985,132 6.148,133 97.245,134 7.684,135 0.362,136 0.795,137 5.404,138 65.636,139 6.472,140 27,141 32,142 0.286,143 0.577,144 0.732,145 0.831,146 0.888,147 0.897,148 3.145,149 -5.11,150 -5.01,151 -4.69,153 42.5,154 1,157 2,160 1,164 8,165 4,177 13,183 2,184 14,192 1,193 5,194 8,203 1,210 5,211 1,218 3,219 4,226 3,229 9,236 1,238 12,246 10,249 648,250 14.162,251 14.162,252 14.162,253 14.162,254 14.162,255 12.697,256 17.297,257 8.346,258 14.504,259 11.329,260 11.329,261 11.329,262 11.329,263 11.329,264 9.179,265 22.194,266 3.93,267 11.973,268 3.733,269 2.119,270 1.257,271 0.707,272 0.388,273 0.338,274 3.801,276 1,277 1,278 439,279 3.742,281 162.888,283 1.504,284 37.103,285 1,286 1,287 1,288 1,289 1,290 1,291 0.5,292 1,293 1,294 0.93,295 50,296 214,297 4.461,298 4.461,299 7.118,300 4.188,301 3.323,302 3.887,303 3.825,304 11.698,305 2.937,306 4.161,307 3.157,308 6.029,309 3.794,310 2.802,311 3.773,312 0.765,313 8.583,314 2.785,315 3.946,316 3.016,317 6.012,318 3.699,319 2.74,320 3.19,321 0.657,322 8.528,323 2.567,324 3.136,325 2.178,326 4.691,327 2.82,328 1.885,329 2.268,331 5.039,332 1.737,333 2.94,334 1.949,335 4.247,336 2.583,337 1.612,338 2.105,340 4.019,341 1.556,342 2.851,343 1.534,344 4.077,345 2.414,346 1.414,347 1.988,349 3.438,350 1.414,351 2.601,352 1.468,353 3.606,354 2.248,355 1.289,356 1.632,358 2.982,359 1.223,360 2.539,361 1.232,362 3.484,363 2.089,364 1.109,365 1.552,366 2.52,367 1.076,368 2.015,369 1.062,370 3.238,371 1.764,372 0.826,373 0.956,374 1.879,375 0.77,376 1.253,377 0.51,378 2.737,379 1.026,380 0.059,381 0.067,382 0.129,383 0.057,384 0.789,385 0.51,386 2.568,387 0.493,388 -0.475,389 -0.543,390 -1.049,391 -0.456,392 0.706,393 0.413,394 2,395 0.305,396 -0.665,397 -0.864,398 -1.597,399 -0.641,400 0.597,401 -0.145,402 2,403 0.154,404 -0.834,405 -1,406 -2.035,407 -0.7,408 0.452,409 -0.381,410 2,411 0.088,412 -0.875,413 -1,414 -2.406,415 -0.7,417 -0.526,418 2,419 -0.3,420 -1,421 -1.091,422 -3,423 -0.815,424 10.09,425 0.71,426 0.032,427 25,428 1.136,429 12,430 0.545,431 13,432 0.591,433 17.387,434 0.79,435 25.31,436 0.633,437 19.537,438 5.357,439 0.243,440 5.019,441 0.228,442 0.168,443 0.05,444 0.248,445 3,447 0.614,448 0.916,449 0.737,450 0.663,451 0.967,452 0.461,453 0.773,454 0.983,455 0.415,456 0.994,457 0.558,458 0.934,459 1.163,460 0.951,461 1.035,462 0.918,463 1.153,464 0.844,465 0.856,466 0.888,467 0.91,468 0.791,469 0.907,470 0.874,471 0.919,472 0.977,473 0.932,474 0.88,475 0.974,476 1.094,477 0.683,478 0.728,479 1.167,480 0.825,481 6.102}
{0 CHEMBL426293,2 2.037,3 1.986,4 -0.526,5 1.038,6 0.669,7 0.54,8 0.638,9 0.346,10 0.108,11 0.063,12 0.036,13 37.199,14 -0.004,15 0.527,16 0.628,17 0.991,18 0.728,19 1,20 1,21 10.695,22 0.204,23 36.499,24 1.02,25 0.535,26 0.774,27 3.268,28 0.896,29 0.013,30 0.838,31 28.441,32 3.906,33 0.991,34 2,35 5,36 1.351,37 4.299,38 459.35,39 7.329,40 1.455,41 11.731,42 4.586,43 21.03,44 113.365,45 9.57,46 0.643,47 3.941,48 4.048,49 3.733,50 3.602,51 5.015,52 3.523,53 4.438,54 4.587,55 4.127,56 3.981,57 5.465,58 3.862,59 4.702,60 4.9,61 4.179,62 4.094,63 5.689,64 3.925,65 4.745,66 4.973,67 4.073,68 3.987,69 5.678,70 3.809,71 4.674,72 4.911,73 4.098,74 3.941,75 5.593,76 3.763,77 4.612,78 4.852,79 3.884,80 3.931,81 5.486,82 3.752,83 4.572,84 4.793,85 3.846,86 3.925,87 5.542,88 3.761,89 4.579,90 4.815,91 3.793,92 3.899,93 5.495,94 3.71,95 0.049,96 0.594,97 6.911,98 4.554,99 10.235,100 5.785,101 0.128,102 0.981,103 14.859,104 7.967,105 18.282,106 9.651,107 0.209,108 1.263,109 12.381,110 33.92,111 13.932,112 0.329,113 1.297,114 35.992,115 12.282,116 40.954,117 13.758,118 0.256,119 1.237,120 44.981,121 12.306,122 36.626,123 13.157,124 0.195,125 1.185,126 46.304,127 11.657,128 13.132,129 0.239,130 1.097,131 28.322,132 10.302,133 33.507,134 12.656,135 0.158,136 1.118,137 11.161,138 30.062,139 12.922,140 5,141 36,142 0.247,143 0.522,144 0.675,145 0.821,146 0.89,147 0.9,148 3.303,149 -5.52,150 -5.4,151 -5.04,153 45.8,157 3,164 13,165 3,177 14,180 3,183 2,184 16,188 4,192 1,193 4,194 9,198 3,200 1,203 3,206 1,210 5,211 7,218 4,219 12,223 1,224 1,226 4,229 13,233 2,236 3,238 12,241 1,244 2,246 8,249 1128,250 17.828,251 17.828,252 17.828,253 17.828,254 17.828,255 15.574,256 19.804,257 10.991,258 18.256,259 13.848,260 13.848,261 13.848,262 13.848,263 13.848,264 10.603,265 25.953,266 5.246,267 14.64,268 4.129,269 2.513,270 1.617,271 0.756,272 0.349,273 0.292,274 3.99,277 1,278 649,279 3.24,281 277.928,283 1.905,284 15.981,287 0.75,288 0.83,289 1,290 0.8,291 0.5,292 1,293 1,294 0.84,295 53.9,296 305,297 4.202,298 3.202,299 6.14,300 3.827,301 2.863,302 3.805,303 1.151,304 9.042,305 2.76,306 4.134,307 3.163,308 6.052,309 3.787,310 2.824,311 3.702,312 0.765,313 8.696,314 2.714,315 3.887,316 2.755,317 5.338,318 3.493,319 2.5,320 3.44,321 0.657,322 6.957,323 2.481,324 3.494,325 2.694,326 5.001,327 3.091,328 2.232,329 2.728,331 5.922,332 1.835,333 3.001,334 2.15,335 4.443,336 2.67,337 1.734,338 2.162,340 4.48,341 1.602,342 2.947,343 1.765,344 4.106,345 2.527,346 1.557,347 2.116,349 3.668,350 1.505,351 2.858,352 1.602,353 3.668,354 2.402,355 1.414,356 2.005,358 3.174,359 1.392,360 2.766,361 1.502,362 3.598,363 2.355,364 1.414,365 1.857,366 3.018,367 1.225,368 2.544,369 1.286,370 3.476,371 2.134,372 1.157,373 1.556,374 2.559,375 1.059,376 2.5,377 1.064,378 3.247,379 2,380 1,381 1.5,382 2.136,383 1,384 2.042,385 1,386 3.236,387 1.771,388 0.832,389 0.976,390 1.893,391 0.774,392 1.831,393 0.957,394 3.069,395 1.534,396 0.626,397 0.736,398 1.427,399 0.562,400 1.164,401 0.356,402 2.575,403 0.917,404 -0.03,405 -0.034,406 -0.069,407 -0.028,408 0.931,409 0.112,410 2.24,411 0.503,412 -0.402,413 -0.504,414 -0.893,415 -0.087,416 0.811,417 -0.114,418 2,419 0.354,420 -0.459,421 -0.542,422 -1.069,423 -0.428,424 13.71,425 0.452,426 0.017,427 33.75,428 1.298,429 18.5,430 0.712,431 15.25,432 0.587,433 21.36,434 0.822,435 26.49,436 0.552,437 21.786,438 6.733,439 0.259,440 5.987,441 0.23,442 0.144,444 0.219,447 0.965,448 0.984,449 0.484,450 1.022,451 0.821,452 1.231,453 0.586,454 0.71,455 1.028,456 0.943,457 1.059,458 1.152,459 1.074,460 1.58,461 1.037,462 1.32,463 0.962,464 1.423,465 0.997,466 0.907,467 0.959,468 1.277,469 0.952,470 0.985,471 0.975,472 0.983,473 1.023,474 0.853,475 0.98,476 0.676,477 0.996,478 0.729,479 0.774,480 0.96,481 7.495}
{0 CHEMBL436476,1 -0.022,2 2.02,3 1.959,4 -0.559,5 1.042,6 0.493,7 0.586,8 0.618,9 0.347,10 0.112,11 0.063,12 0.037,13 51.426,14 0.047,15 0.509,16 0.83,17 1.005,18 0.706,19 1,20 2,21 6.881,22 0.197,23 39.164,24 1.037,25 0.657,26 0.897,27 5.165,28 0.815,29 -0.058,30 0.87,31 61.123,32 4.171,33 0.879,34 2,35 4,36 1.391,37 4.688,38 529.49,39 9.643,40 1.682,41 14.939,42 4.449,43 19.796,44 133.557,45 9.129,46 0.472,47 4.155,48 4.251,49 3.925,50 3.775,51 5.256,52 3.725,53 4.692,54 4.835,55 4.319,56 4.174,57 5.773,58 4.095,59 4.953,60 5.142,61 4.494,62 4.256,63 6.041,64 4.151,65 4.982,66 5.181,67 4.161,68 4.141,69 6.167,70 4.056,71 4.927,72 5.136,73 4.132,74 4.112,75 5.981,76 3.989,77 4.887,78 5.112,79 3.96,80 4.098,81 5.811,82 3.941,83 4.858,84 5.087,85 3.984,86 4.05,87 5.892,88 3.903,89 4.777,90 5.013,91 4.014,92 4.022,93 5.686,94 3.878,95 0.062,96 0.773,97 9.218,98 5.635,99 12.761,100 6.587,101 0.297,102 1.303,103 21.169,104 9.871,105 26.319,106 11.504,107 0.419,108 1.582,109 14.457,110 48.74,111 16.141,112 0.687,113 1.619,114 35.932,115 12.868,116 101.713,117 14.863,118 0.634,119 1.51,120 38.955,121 12.644,122 80.591,123 14.683,124 0.432,125 1.453,126 45.068,127 13.322,128 16.123,129 0.641,130 1.394,131 35.323,132 12.55,133 78.323,134 15.72,135 0.327,136 1.33,137 12.255,138 42.401,139 14.944,140 17,141 49,142 0.273,143 0.616,144 0.77,145 0.861,146 0.878,147 0.878,148 3.531,149 -4.55,150 -4.48,151 -4.21,152 1,153 43.1,155 2,157 4,164 9,165 3,168 1,169 1,170 2,177 11,179 2,180 8,183 1,184 12,188 10,192 1,193 3,194 6,197 1,198 9,200 1,203 4,205 1,206 4,210 3,211 8,218 3,219 9,222 2,223 4,224 1,226 3,229 5,233 6,236 1,238 5,241 7,242 1,244 1,246 7,249 2141,250 22.449,251 22.449,252 22.449,253 22.449,254 22.449,255 20.19,256 25.709,257 13.463,258 23.089,259 17.744,260 17.744,261 17.744,262 17.744,263 17.744,264 14.253,265 29.94,266 6.358,267 18.845,268 4.176,269 2.066,270 1.113,271 0.552,272 0.448,273 0.448,274 4.226,278 1068,279 3.937,280 181.862,281 229.62,282 155.164,283 2.494,284 38.143,287 0.75,288 0.67,289 0.67,290 0.7,291 0.5,292 0.67,293 0.5,294 0.64,295 70.75,296 493,297 4.585,298 3.952,299 6.964,300 4.291,301 3.301,302 4.146,303 1.349,304 11.689,305 3.262,306 4.199,307 3.256,308 6.138,309 3.817,310 2.872,311 3.802,312 0.86,313 9.034,314 2.751,315 4.17,316 3.225,317 6.066,318 3.76,319 2.835,320 3.759,321 0.8,322 8.75,323 2.566,324 3.54,325 3.146,326 5.685,327 3.209,328 2.244,329 2.812,330 0.765,331 7.258,332 2.16,333 3.441,334 2.75,335 5.491,336 3.066,337 2.198,338 2.65,339 0.657,340 6.426,341 2.093,342 3.414,343 2.435,344 4.993,345 3.062,346 2.026,347 2.581,349 5.87,350 1.814,351 2.993,352 2.28,353 4.461,354 2.751,355 1.812,356 2.12,358 4.543,359 1.694,360 2.938,361 1.954,362 4.022,363 2.579,364 1.61,365 2.107,366 3.513,367 1.548,368 2.839,369 1.778,370 3.821,371 2.454,372 1.473,373 1.95,374 3.343,375 1.438,376 2.618,377 1.553,378 3.661,379 2.32,380 1.337,381 1.622,382 3.072,383 1.313,384 2.581,385 1.435,386 3.618,387 2.205,388 1.311,389 1.597,390 2.918,391 1.12,392 2.48,393 1.35,394 3.6,395 1.942,396 0.914,397 1.387,398 2.21,399 0.934,400 2.21,401 1.261,402 3.3,403 1.834,404 0.884,405 1.106,406 1.98,407 0.827,408 2.116,409 1.199,410 3.284,411 1.716,412 0.852,413 0.995,414 1.899,415 0.699,416 1.955,417 0.941,418 3.201,419 1.513,420 0.645,421 0.848,422 1.572,423 0.543,424 16.8,425 0.716,426 0.022,427 40,428 1.212,429 19.5,430 0.591,431 20.5,432 0.621,433 31.847,434 0.965,435 34.8,436 0.6,437 28.718,438 7.599,439 0.23,440 8.443,441 0.256,442 0.139,444 0.292,447 0.767,448 1.13,449 0.532,450 0.657,451 0.855,452 0.862,453 0.643,454 0.871,455 0.674,456 0.93,457 0.999,458 1.107,459 0.975,460 1.363,461 1.09,462 1.249,463 0.99,464 1.302,465 0.984,466 0.77,467 0.91,468 1.344,469 1.065,470 0.932,471 1.03,472 0.986,473 1.073,474 0.916,475 1.13,476 0.702,477 0.942,478 0.837,479 0.702,480 0.986,481 7.161}