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{1 0.034,2 19.997,3 1.409,4 4.468,5 9.636,6 8.82,7 16.215,8 4.58,9 0.821,10 2.895,11 2.942,12 1.682,13 10.037,14 3.884,15 15.085,16 105.742,17 8.778,18 0.767,19 3.876,20 3.969,21 3.685,22 3.557,23 5.067,24 3.514,25 4.342,26 3.966,27 3.915,28 5.557,29 3.863,30 4.56,31 4.722,32 3.994,33 3.994,34 5.781,35 3.931,36 4.762,37 3.908,38 3.95,39 5.751,40 3.886,41 4.601,42 4.819,43 3.857,44 3.946,45 5.646,46 3.871,47 4.499,48 4.692,49 3.898,50 3.935,51 5.602,52 3.856,53 4.493,54 4.659,55 3.897,56 3.953,57 5.719,58 3.858,59 4.594,60 4.821,61 3.718,62 3.862,63 5.71,64 3.742,65 0.057,66 0.666,67 7.483,68 3.94,69 8.578,70 4.237,71 0.115,72 1.074,73 14.667,74 6.738,75 15.682,76 7.342,77 0.247,78 1.318,79 18.974,80 8.268,81 43.026,82 8.97,83 0.275,84 1.334,85 19.434,86 7.928,87 40.885,88 8.824,89 0.302,90 1.29,91 7.981,92 39.294,93 9.967,94 0.252,95 1.223,96 17.439,97 7.486,98 31.067,99 0.242,100 1.216,101 7.987,102 27.859,103 9.813,104 0.261,105 1.31,106 21.198,107 8.944,108 39.575,109 10.966,110 11,111 42,112 0.287,113 0.569,114 0.703,115 0.795,116 0.81,117 0.81,118 3.341,119 0.988,120 -4.92,121 -4.83,122 -4.53,124 48.8,129 1,142 10,143 3,144 2,145 2,146 1,152 1,158 1,167 10,170 4,172 1,174 2,175 9,179 8,183 5,185 5,189 8,193 4,195 6,199 1,201 1,203 2,206 14,208 1,209 1,214 18,216 1,217 3,220 1,223 12,226 4,232 4,235 4,244 1123,245 18.361,246 18.361,247 18.361,248 18.361,249 18.361,250 15.561,251 4.368,252 10.837,253 18.876,254 14.814,255 14.814,256 14.814,257 14.814,258 14.814,259 10.659,260 2.498,261 5.164,262 15.642,263 3.744,264 2.087,265 1.302,266 0.762,267 0.669,268 0.669,269 4.038,271 1,272 1,273 1,274 587,275 2.646,277 74.848,278 265.59,285 1.451,286 27.251,288 1,289 1,290 1,291 1,292 0.6,294 1,295 1,296 0.8,297 58,298 271,299 4.568,300 4.698,301 6.747,302 4.172,303 3.204,304 4.301,305 2.95,306 11.08,307 3.103,308 4.196,309 3.207,310 6.1,311 3.769,312 2.819,313 3.802,315 8.88,316 2.706,317 3.986,318 2.897,319 5.879,320 3.558,321 2.592,322 3.578,324 8.043,325 2.526,326 3.913,327 2.729,328 5.772,329 3.479,330 2.553,331 3.377,333 7.837,334 2.294,335 3.621,336 2.51,337 5.054,338 3.176,339 2.229,340 3.038,342 6.071,343 2.091,344 3.253,345 2.432,346 4.69,347 2.752,348 1.805,349 2.55,351 4.948,352 1.696,353 2.997,354 1.854,355 4.272,356 2.455,357 1.527,358 2.177,360 3.75,361 1.403,362 2.727,363 1.488,364 3.913,365 2.169,366 1.23,367 1.772,369 3.032,370 1.139,371 2.5,372 1.172,373 3.711,374 2,375 1,376 1.5,378 2.575,379 1,380 2.5,381 1,382 3.456,383 2,384 1,385 1.5,387 2.275,388 1,389 2.5,390 1,391 3.414,392 1.984,393 1,394 1.5,395 2.275,396 0.983,397 2.44,398 1,399 3.414,400 1.892,401 0.945,402 1.382,403 2.192,404 0.886,405 2.277,406 0.826,407 3.247,408 1.716,409 0.792,410 1.169,411 2.136,412 0.73,413 1.137,414 0.62,415 2.605,416 0.725,417 -0.188,418 -0.236,419 -0.422,420 -0.166,421 0.965,422 0.301,423 2.512,424 0.504,425 -0.453,426 -0.594,427 -1.096,428 -0.422,429 13.152,430 0.487,431 0.644,432 0.024,433 40.5,434 1.5,435 23.5,436 0.87,437 17,438 0.63,439 17.941,440 0.664,441 27.048,442 0.629,443 29.792,444 1.103,445 8.054,446 0.298,447 5.06,448 0.187,449 0.085,451 0.367,454 1,455 5}
{0 CHEMBL101253,1 0.031,2 17.499,3 1.344,4 4.398,5 7.282,6 12.929,7 15.408,8 4.515,9 0.821,10 2.89,11 2.946,12 1.496,13 10.4,14 4.705,15 22.138,16 100.976,17 8.671,18 0.821,19 3.803,20 3.913,21 3.514,22 3.464,23 4.975,24 3.437,25 4.262,26 3.86,27 3.837,28 5.382,29 3.788,30 4.511,31 4.697,32 3.901,33 3.938,34 5.564,35 3.861,36 4.732,37 3.756,38 3.84,39 5.52,40 3.754,41 4.451,42 4.676,43 3.759,44 3.782,45 5.493,46 3.723,47 4.382,48 4.579,49 3.717,50 3.806,51 5.456,52 3.734,53 4.37,54 4.573,55 3.668,56 3.781,57 5.403,58 3.675,59 4.285,60 4.512,61 3.486,62 3.609,63 5.255,64 3.465,65 0.036,66 0.569,67 5.871,68 3.065,69 6.797,70 3.852,71 0.051,72 0.892,73 10.545,74 5.141,75 10.565,76 6.527,77 0.15,78 1.134,79 18.583,80 7.031,81 22.023,82 8.915,83 0.152,84 1.147,85 19.99,86 7.228,87 24.391,88 9.299,89 0.206,90 1.11,91 6.324,92 25.7,93 8.142,94 0.186,95 1.026,96 15.521,97 5.816,98 22.825,99 0.139,100 0.952,101 6.574,102 20.483,103 8.757,104 0.115,105 0.837,106 16.149,107 6.477,108 20.375,109 8.711,110 2,111 38,112 0.259,113 0.558,114 0.709,115 0.819,116 0.836,117 0.845,118 3.267,119 0.893,120 -5.43,121 -5.31,122 -4.96,124 50,126 1,142 10,143 3,144 2,145 2,146 1,147 1,163 1,167 11,170 5,172 1,174 3,175 14,179 7,181 1,183 4,185 10,189 10,193 2,195 8,199 8,203 3,206 13,208 1,209 3,213 1,214 13,216 1,217 3,222 2,223 11,226 3,232 8,235 1,237 1,241 8,244 911,245 17.361,246 17.361,247 17.361,248 17.361,249 17.361,250 14.555,251 18.364,252 10.512,253 17.698,254 13.875,255 13.875,256 13.875,257 13.875,258 13.875,259 9.836,260 28.435,261 5.06,262 14.462,263 3.826,264 2.106,265 1.23,266 0.6,267 0.5,268 0.45,269 3.972,270 1,272 1,273 1,274 572,275 2.345,278 266.179,282 101.355,285 1.856,286 13.492,288 1,289 0.75,290 1,291 1,292 0.6,294 1,295 1,296 0.76,297 52.333,298 260,299 4.596,300 3.258,301 6.707,302 4.135,303 3.153,304 4.543,305 0.68,306 10.902,307 3.096,308 4.03,309 2.961,310 5.8,311 3.622,312 2.659,313 3.625,314 0.4,315 8.069,316 2.567,317 3.92,318 2.823,319 5.423,320 3.508,321 2.531,322 3.467,324 7.166,325 2.46,326 3.64,327 2.533,328 5.255,329 3.188,330 2.251,331 3.075,333 6.536,334 2.109,335 3.404,336 2.184,337 4.905,338 2.943,339 2.007,340 2.76,342 5.669,343 1.851,344 3.274,345 1.907,346 4.658,347 2.783,348 1.831,349 2.591,351 4.855,352 1.673,353 2.887,354 1.516,355 3.792,356 2.382,357 1.44,358 2.053,360 3.102,361 1.355,362 2.777,363 1.288,364 3.598,365 2.267,366 1.281,367 1.913,369 2.852,370 1.26,371 2.5,372 1.076,373 3.562,374 2,375 1.013,376 1.5,378 2.575,379 1,380 2.5,381 1,382 3.414,383 1.994,384 1,385 1.5,387 2.275,388 0.99,389 2.465,390 1,391 3.247,392 1.984,393 1,394 1.449,395 2.136,396 0.983,397 1.729,398 0.741,399 3.101,400 1.405,401 0.449,402 0.552,403 1.119,404 0.42,405 1.313,406 0.426,407 2.764,408 0.935,409 0.02,410 0.025,411 0.048,412 0.016,413 1.014,414 -0.044,415 2.445,416 0.595,417 -0.34,418 -0.435,419 -0.814,420 -0.291,421 0.889,422 -0.429,423 2.304,424 0.391,425 -0.583,426 -0.833,427 -1.455,428 -0.561,429 12.314,430 0.493,431 0.465,432 0.019,433 38.25,434 1.53,435 22.5,436 0.9,437 15.75,438 0.63,439 15.877,440 0.635,441 24.286,442 0.607,443 25.535,444 1.021,445 7.668,446 0.307,447 4.625,448 0.185,449 0.058,451 0.284,455 5}
{0 CHEMBL103667,1 0.04,2 46.823,3 1.687,4 5.161,5 18.535,6 4.812,7 41.436,8 5.354,9 1.295,10 3.5,11 3.546,12 1.476,13 15.333,14 5.907,15 34.897,16 153.448,17 6.944,18 0.512,19 4.416,20 4.543,21 3.928,22 3.926,23 5.446,24 3.899,25 4.975,26 4.296,27 4.324,28 5.966,29 4.279,30 5.224,31 5.428,32 4.344,33 4.489,34 6.191,35 4.408,36 5.615,37 4.314,38 4.494,39 6.25,40 4.385,41 5.289,42 5.537,43 4.298,44 4.402,45 6.266,46 4.322,47 5.161,48 5.377,49 4.272,50 4.38,51 6.186,52 4.313,53 5.213,54 5.426,55 4.329,56 4.471,57 6.285,58 4.385,59 5.328,60 5.566,61 4.237,62 4.518,63 6.285,64 4.402,65 0.071,66 1.114,67 17.099,68 7.024,69 11.85,70 9.626,71 0.407,72 1.786,73 32.2,74 11.499,75 38.337,76 16.193,77 0.522,78 2.215,79 41.95,80 14.363,81 49.844,82 20.619,83 0.467,84 2.375,85 49.157,86 16.419,87 58.81,88 24.524,89 0.653,90 2.184,91 14.355,92 69.806,93 21.162,94 0.568,95 2.014,96 40.251,97 12.847,98 62.036,99 0.461,100 2.159,101 14.686,102 73.226,103 21.166,104 0.588,105 2.318,106 47.773,107 16.237,108 80.539,109 23.357,110 27,111 61,112 0.226,113 0.537,114 0.702,115 0.788,116 0.812,117 0.816,118 3.693,119 0.941,120 -5.07,121 -4.97,122 -4.65,124 40.8,125 4,128 1,130 6,142 11,143 3,144 3,146 1,153 1,156 1,163 1,167 15,170 7,172 3,173 1,174 3,175 18,178 2,179 11,181 1,183 3,185 14,188 1,189 11,191 1,193 8,195 6,198 1,199 8,201 2,203 9,206 6,208 1,209 11,213 6,214 11,216 1,217 13,220 1,222 7,223 11,226 9,228 1,230 1,232 12,234 1,235 8,239 1,241 23,244 3163,245 26.126,246 26.126,247 26.126,248 26.126,249 26.126,250 23.423,251 36.989,252 15.44,253 26.724,254 21.281,255 21.281,256 21.281,257 21.281,258 21.281,259 17.125,260 47.755,261 7.396,262 22.217,263 4.772,264 2.742,265 1.666,266 1.109,267 0.948,268 0.922,269 4.396,273 1,274 1298,275 4.359,277 114.727,278 481.223,282 186.324,285 2.479,286 29.015,289 0.75,290 0.83,291 0.83,292 0.9,293 0.5,294 0.83,295 1,296 0.81,297 83.5,298 598,299 4.594,300 3.613,301 7.139,302 4.35,303 3.366,304 4.54,305 1.656,306 11.836,307 3.316,308 4.578,309 3.536,310 6.702,311 4.127,312 3.145,313 4.211,314 0.86,315 10.879,316 3.09,317 4.199,318 3.227,319 6.493,320 3.921,321 2.963,322 3.597,323 0.86,324 10.131,325 2.833,326 3.865,327 3.067,328 5.74,329 3.496,330 2.54,331 3.226,332 0.8,333 7.766,334 2.449,335 3.751,336 2.893,337 5.388,338 3.436,339 2.505,340 3.142,341 0.247,342 6.968,343 2.325,344 3.541,345 2.607,346 5.339,347 3.358,348 2.387,349 2.819,351 6.89,352 2.29,353 3.493,354 2.558,355 5.051,356 3.117,357 2.149,358 2.652,360 6.04,361 2.068,362 3.333,363 2.177,364 4.897,365 2.913,366 1.937,367 2.516,369 5.529,370 1.887,371 3.228,372 2.106,373 4.668,374 2.794,375 1.8,376 2.453,378 4.897,379 1.783,380 2.784,381 2.025,382 4.433,383 2.444,384 1.557,385 1.922,387 3.995,388 1.373,389 2.669,390 1.571,391 3.952,392 2.293,393 1.327,394 1.71,395 3.269,396 1.286,397 2.6,398 1.484,399 3.81,400 2.267,401 1.289,402 1.609,403 2.868,404 1.251,405 2.5,406 1.287,407 3.647,408 2.093,409 1.173,410 1.5,411 2.824,412 1.07,413 2.471,414 1.256,415 3.596,416 2,417 1,418 1.461,419 2.727,420 1,421 2.387,422 1.078,423 3.414,424 1.952,425 1,426 1.337,427 2.275,428 0.946,429 18.5,430 0.474,431 1.069,432 0.027,433 48.25,434 1.237,435 23,436 0.59,437 25.25,438 0.647,439 39.35,440 1.009,441 42.7,442 0.562,443 40.967,444 1.05,445 9.39,446 0.241,447 9.385,448 0.241,449 0.126,450 0.027,451 0.286,455 5}
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