@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4825

@attribute molecule_id {CHEMBL312942,CHEMBL314162,CHEMBL314219,CHEMBL314238,CHEMBL314731,CHEMBL314761,CHEMBL315192,CHEMBL315863,CHEMBL316275,CHEMBL327390,CHEMBL327911,CHEMBL328126,CHEMBL328148,CHEMBL328150,CHEMBL328318,CHEMBL328354,CHEMBL329889,CHEMBL330010,CHEMBL330292,CHEMBL330563,CHEMBL419128,CHEMBL431216,CHEMBL433350,CHEMBL541213,CHEMBL88325,CHEMBL88486,CHEMBL88538,CHEMBL88546,CHEMBL88844,CHEMBL88904,CHEMBL88925,CHEMBL89428,CHEMBL90169,CHEMBL90252,CHEMBL90261,CHEMBL90341,CHEMBL90373,CHEMBL91165,CHEMBL91196,CHEMBL91274,CHEMBL91331,CHEMBL91376,CHEMBL91459,CHEMBL91540,CHEMBL91568,CHEMBL91630,CHEMBL91648,CHEMBL91652,CHEMBL91721,CHEMBL91730,CHEMBL91934,CHEMBL92440,CHEMBL92498}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.011 numeric
@attribute C.013 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.030 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.040 numeric
@attribute C.043 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute pXC50 numeric

@data
{1 1.514,2 9.538,3 4.806,4 23.093,5 101.148,6 8.327,7 0.793,8 3.832,9 3.933,10 3.503,11 3.474,12 5.073,13 3.458,14 4.28,15 4.396,16 3.836,17 3.855,18 5.593,19 3.824,20 4.511,21 4.685,22 3.857,23 3.956,24 5.63,25 3.896,26 4.564,27 4.746,28 3.826,29 3.938,30 5.72,31 3.876,32 4.572,33 4.773,34 3.782,35 3.947,36 5.622,37 3.869,38 4.496,39 4.694,40 3.751,41 3.926,42 5.516,43 3.839,44 4.502,45 4.691,46 3.73,47 3.899,48 5.653,49 3.809,50 4.542,51 4.768,52 3.523,53 3.769,54 5.636,55 3.653,56 0.12,57 0.559,58 6.304,59 3.277,60 4.9,61 3.947,62 0.147,63 0.863,64 10.497,65 5.439,66 35.881,67 6.505,68 0.115,69 1.095,70 15.902,71 7.308,72 18.412,73 9.198,74 0.212,75 1.141,76 17.93,77 7.656,78 36.183,79 9.26,80 0.227,81 1.151,82 19.063,83 8.022,84 39.719,85 10.1,86 0.161,87 1.086,88 16.71,89 7.645,90 20.995,91 10.061,92 0.194,93 1.065,94 16.5,95 7.61,96 22.844,97 9.921,98 0.207,99 1.079,100 20.01,101 8.366,102 42.628,103 10.781,104 6,105 40,106 0.259,107 0.456,108 0.634,109 0.78,110 0.808,111 0.808,112 3.305,113 0.844,114 -5.11,115 -5.01,116 -4.69,118 51.2,125 12,126 4,127 1,128 2,132 2,139 2,142 14,144 1,145 4,147 4,148 16,151 7,153 5,154 14,158 6,160 6,161 14,165 3,167 1,168 19,170 2,171 2,176 20,180 6,181 2,184 15,188 8,191 6,195 11,197 2,200 966,201 17.913,202 17.913,203 17.913,204 17.913,205 17.913,206 14.978,207 4.953,208 10.751,209 18.092,210 14.348,211 14.348,212 14.348,213 14.348,214 14.348,215 10.061,216 5.143,217 5.127,218 14.619,219 3.844,220 2.691,221 1.653,222 0.799,223 0.634,224 0.634,225 4.004,228 1,229 540,230 2.55,231 70.765,232 253.272,234 1.497,235 19.942,236 8.215}
{0 CHEMBL314162,1 1.451,2 8.48,3 6.24,4 38.936,5 103.433,6 9.366,7 0.821,8 3.773,9 3.865,10 3.548,11 3.501,12 4.933,13 3.461,14 4.23,15 4.342,16 3.936,17 3.893,18 5.362,19 3.832,20 4.471,21 4.631,22 4.099,23 4.012,24 5.565,25 3.912,26 4.465,27 4.643,28 3.874,29 3.95,30 5.487,31 3.85,32 4.502,33 4.698,34 3.893,35 3.961,36 5.492,37 3.865,38 4.483,39 4.666,40 3.963,41 3.984,42 5.525,43 3.878,44 4.457,45 4.63,46 3.936,47 3.971,48 5.533,49 3.845,50 4.458,51 4.666,52 3.844,53 3.857,54 5.521,55 3.7,56 0.011,57 0.455,58 4.623,59 2.724,60 4.952,61 3.517,62 0.022,63 0.73,64 8.35,65 4.593,66 8.595,67 5.907,68 0.158,69 0.939,70 21.076,71 7.051,72 23.004,73 8.964,74 0.116,75 0.97,76 18.133,77 7.044,78 19.329,79 8.992,80 0.153,81 1.035,82 18.021,83 7.44,84 19.338,85 9.672,86 0.162,87 0.982,88 17.751,89 7.323,90 19.144,91 9.593,92 0.076,93 0.897,94 18.111,95 7.426,96 19.686,97 9.818,98 0.119,99 0.924,100 22.438,101 8.094,102 27.187,103 10.52,104 5,105 39,106 0.253,107 0.464,108 0.655,109 0.816,110 0.849,111 0.849,112 3.268,113 0.924,114 -6.15,115 -5.99,116 -5.57,118 53.8,125 11,126 4,127 2,128 2,132 2,142 13,145 2,147 4,148 16,151 1,153 5,154 18,158 1,160 5,161 15,165 1,167 2,168 18,170 1,171 1,173 1,176 19,180 3,184 17,188 3,191 11,195 3,197 5,200 936,201 17.206,202 17.206,203 17.206,204 17.206,205 17.206,206 14.47,207 2.167,208 10.285,209 17.562,210 13.848,211 13.848,212 13.848,213 13.848,214 13.848,215 9.877,216 0.907,217 4.927,218 14.556,219 3.834,220 2.619,221 1.527,222 0.603,223 0.41,224 0.41,225 3.967,226 2,229 463,230 2,231 65.41,232 235.99,234 1.261,235 13.255,236 7.523}
{0 CHEMBL314219,1 1.366,2 8.417,3 5.117,4 26.18,5 94.04,6 8.061,7 0.852,8 3.77,9 3.875,10 3.418,11 3.446,12 4.953,13 3.42,14 4.226,15 4.354,16 3.755,17 3.818,18 5.395,19 3.775,20 4.464,21 4.65,22 3.759,23 3.904,24 5.556,25 3.83,26 4.46,27 4.657,28 3.703,29 3.877,30 5.493,31 3.795,32 4.493,33 4.703,34 3.719,35 3.909,36 5.461,37 3.82,38 4.473,39 4.677,40 3.709,41 3.898,42 5.52,43 3.804,44 4.451,45 4.649,46 3.642,47 3.85,48 5.561,49 3.752,50 4.445,51 4.685,52 3.42,53 3.692,54 5.515,55 3.562,56 0.014,57 0.556,58 6.323,59 3.244,60 5.203,61 4.005,62 0.027,63 0.894,64 10.698,65 5.3,66 10.658,67 6.577,68 0.113,69 1.162,70 16.445,71 7.34,72 25.676,73 9.23,74 0.124,75 1.138,76 16.728,77 7.258,78 24.446,79 9.262,80 0.106,81 1.119,82 17.631,83 7.574,84 18.047,85 10.11,86 0.182,87 1.141,88 17.092,89 7.568,90 21.426,91 10.101,92 0.076,93 1.12,94 16.663,95 7.739,96 22.591,97 9.996,98 0.105,99 1.12,100 18.405,101 7.927,102 29.051,103 10.457,104 2,105 37,106 0.238,107 0.437,108 0.627,109 0.783,110 0.813,111 0.813,112 3.23,113 0.862,114 -5.56,115 -5.43,116 -5.07,118 53.8,125 12,126 4,127 1,128 2,132 2,142 14,145 2,147 4,148 16,151 1,153 5,154 14,158 1,160 6,161 14,165 1,167 1,168 19,170 1,171 1,176 19,180 3,184 14,188 4,191 8,195 2,197 2,200 830,201 16.706,202 16.706,203 16.706,204 16.706,205 16.706,206 14.023,207 1.628,208 10.116,209 16.891,210 13.38,211 13.38,212 13.38,213 13.38,214 13.38,215 9.49,216 0.662,217 4.868,218 13.697,219 3.919,220 2.778,221 1.687,222 0.789,223 0.615,224 0.615,225 3.931,228 1,229 444,230 1.871,231 62.41,232 225.172,234 1.25,235 15.29,236 7.921}
{0 CHEMBL314238,1 1.582,2 9.16,3 5.118,4 26.197,5 96.268,6 9.206,7 0.821,8 3.763,9 3.861,10 3.516,11 3.438,12 4.987,13 3.423,14 4.217,15 4.337,16 3.891,17 3.809,18 5.459,19 3.78,20 4.444,21 4.615,22 3.904,23 3.883,24 5.632,25 3.827,26 4.424,27 4.613,28 3.797,29 3.805,30 5.558,31 3.753,32 4.407,33 4.611,34 3.792,35 3.821,36 5.471,37 3.767,38 4.379,39 4.551,40 3.857,41 3.857,42 5.541,43 3.791,44 4.422,45 4.597,46 3.791,47 3.874,48 5.62,49 3.781,50 4.436,51 4.666,52 3.588,53 3.731,54 5.514,55 3.603,56 0.041,57 0.571,58 4.537,59 2.857,60 5.152,61 3.276,62 0.096,63 0.918,64 8.097,65 4.707,66 10.434,67 5.431,68 0.221,69 1.145,70 16.331,71 6.765,72 31.068,73 7.806,74 0.265,75 1.136,76 16.381,77 6.254,78 32.816,79 7.043,80 0.238,81 1.091,82 14.409,83 6.012,84 24.955,85 7.243,86 0.274,87 1.051,88 13.217,89 6.131,90 23.674,91 7.653,92 0.211,93 1.104,94 14.859,95 7.106,96 29.195,97 8.794,98 0.164,99 1.066,100 17.527,101 7.851,102 23.668,103 10.297,104 5,105 39,106 0.277,107 0.527,108 0.683,109 0.789,110 0.808,111 0.808,112 3.268,113 0.869,114 -5.8,115 -5.66,116 -5.27,118 52.6,125 10,126 3,127 2,128 2,129 1,132 1,135 1,142 10,145 4,146 1,147 2,148 11,151 6,153 5,154 7,158 4,160 6,161 7,164 1,165 2,168 14,170 2,171 1,173 1,176 18,180 3,184 12,188 4,191 6,195 2,197 4,200 925,201 17.154,202 17.154,203 17.154,204 17.154,205 17.154,206 14.445,207 3.229,208 10.202,209 17.525,210 13.846,211 13.846,212 13.846,213 13.846,214 13.846,215 9.895,216 1.303,217 4.905,218 14.534,219 3.666,220 2.237,221 1.348,222 0.737,223 0.632,224 0.632,225 3.967,226 1,228 1,229 501,230 2,231 66.493,232 238.298,234 1.299,235 21.633,236 7.097}
{0 CHEMBL314731,1 1.366,2 8.042,3 5.576,4 31.086,5 98.628,6 8.483,7 0.852,8 3.765,9 3.867,10 3.462,11 3.475,12 4.906,13 3.434,14 4.22,15 4.344,16 3.817,17 3.858,18 5.322,19 3.796,20 4.455,21 4.633,22 3.826,23 3.954,24 5.455,25 3.854,26 4.454,27 4.645,28 3.802,29 3.921,30 5.441,31 3.823,32 4.498,33 4.699,34 3.832,35 3.944,36 5.476,37 3.847,38 4.475,39 4.667,40 3.837,41 3.957,42 5.481,43 3.848,44 4.442,45 4.633,46 3.747,47 3.914,48 5.461,49 3.785,50 4.444,51 4.668,52 3.635,53 3.794,54 5.449,55 3.631,56 0.022,57 0.466,58 5.942,59 2.977,60 5.83,61 3.91,62 0.041,63 0.749,64 10.32,65 4.945,66 9.791,67 6.499,68 0.101,69 0.964,70 18.056,71 7.203,72 16.76,73 9.518,74 0.101,75 0.991,76 17.5,77 7.152,78 16.498,79 9.476,80 0.16,81 1.042,82 19.176,83 7.544,84 18.629,85 10.022,86 0.136,87 1.001,88 18.628,89 7.505,90 17.293,91 9.993,92 0.075,93 0.923,94 17.953,95 7.598,96 18.701,97 10.284,98 0.113,99 0.946,100 21.59,101 8.087,102 26.205,103 10.813,104 2,105 37,106 0.238,107 0.437,108 0.636,109 0.798,110 0.837,111 0.849,112 3.23,113 0.904,114 -5.66,115 -5.53,116 -5.16,118 53.8,125 12,126 4,127 1,128 2,132 2,142 14,145 2,147 4,148 18,151 1,153 5,154 16,158 1,160 5,161 14,165 1,167 3,168 19,170 1,171 1,176 20,180 3,184 18,188 3,191 10,195 4,197 5,200 820,201 16.706,202 16.706,203 16.706,204 16.706,205 16.706,206 14.023,207 1.601,208 10.152,209 16.965,210 13.397,211 13.397,212 13.397,213 13.397,214 13.397,215 9.496,216 0.641,217 4.888,218 13.856,219 3.919,220 2.778,221 1.635,222 0.705,223 0.481,224 0.41,225 3.931,226 1,228 1,229 424,230 1.871,231 61.326,232 223.672,234 1.132,235 9.724,236 7.538}
{0 CHEMBL314761,1 1.392,2 7.818,3 4.865,4 23.663,5 92.658,6 8.401,7 0.88,8 3.692,9 3.79,10 3.44,11 3.433,12 4.812,13 3.368,14 4.142,15 4.262,16 3.774,17 3.814,18 5.201,19 3.723,20 4.326,21 4.508,22 3.692,23 3.831,24 5.267,25 3.716,26 4.317,27 4.496,28 3.746,29 3.842,30 5.282,31 3.726,32 4.389,33 4.587,34 3.746,35 3.882,36 5.326,37 3.756,38 4.347,39 4.544,40 3.713,41 3.855,42 5.285,43 3.7,44 4.262,45 4.447,46 3.575,47 3.771,48 5.228,49 3.604,50 4.209,51 4.446,52 3.143,53 3.522,54 5.116,55 3.328,56 0.028,57 0.439,58 6.154,59 2.93,60 6.635,61 3.713,62 0.052,63 0.716,64 11.288,65 5.05,66 9.607,67 6.206,68 0.096,69 0.909,70 16.617,71 6.795,72 12.873,73 8.555,74 0.082,75 0.896,76 15.584,77 6.631,78 13.429,79 8.327,80 0.109,81 0.982,82 17.482,83 7.257,84 15.158,85 9.126,86 0.122,87 0.949,88 18.514,89 7.604,90 14.74,91 9.347,92 0.084,93 0.85,94 18.648,95 7.432,96 14.708,97 8.942,98 0.073,99 0.81,100 16.432,101 6.889,102 18.33,103 8.901,105 34,106 0.247,107 0.473,108 0.69,109 0.824,110 0.837,111 0.837,112 3.148,113 0.963,114 -5.07,115 -4.97,116 -4.65,118 52.8,125 10,126 3,128 2,131 1,132 3,142 11,145 2,147 3,148 13,151 1,153 5,154 10,158 1,160 5,161 10,165 1,167 1,168 15,171 1,176 14,180 3,184 11,188 3,191 6,195 2,197 1,200 622,201 15.552,202 15.552,203 15.552,204 15.552,205 15.552,206 13.023,208 9.529,209 15.877,210 12.414,211 12.414,212 12.414,213 12.414,214 12.414,215 8.752,217 4.582,218 12.933,219 3.778,220 2.502,221 1.277,222 0.521,223 0.444,224 0.444,225 3.85,228 1,229 383,230 1.732,231 111.096,232 137.28,234 1.14,235 6.568,236 6.921}
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{0 CHEMBL91721,1 1.306,2 7.957,3 4.189,4 17.548,5 91.295,6 7.826,7 0.885,8 3.743,9 3.855,10 3.377,11 3.412,12 4.892,13 3.382,14 4.192,15 4.329,16 3.69,17 3.775,18 5.285,19 3.726,20 4.406,21 4.602,22 3.687,23 3.854,24 5.391,25 3.772,26 4.395,27 4.594,28 3.666,29 3.822,30 5.38,31 3.741,32 4.441,33 4.651,34 3.688,35 3.855,36 5.413,37 3.772,38 4.428,39 4.639,40 3.637,41 3.836,42 5.42,43 3.743,44 4.372,45 4.581,46 3.52,47 3.781,48 5.389,49 3.67,50 4.345,51 4.585,52 3.252,53 3.64,54 5.288,55 3.485,56 0.028,57 0.507,58 6.564,59 3.028,60 7.031,61 3.927,62 0.056,63 0.81,64 10.985,65 4.861,66 11.151,67 6.343,68 0.122,69 1.014,70 15.759,71 6.621,72 16.397,73 8.928,74 0.098,75 1.005,76 15.668,77 6.468,78 15.903,79 8.698,80 0.119,81 1.055,82 16.886,83 6.829,84 17.125,85 9.209,86 0.141,87 1.042,88 16.686,89 6.826,90 18.426,91 9.233,92 0.119,93 0.965,94 15.647,95 6.691,96 20.732,97 9.106,98 0.086,99 0.92,100 16.283,101 6.987,102 21.883,103 9.686,105 35,106 0.229,107 0.435,108 0.631,109 0.792,110 0.845,111 0.845,112 3.19,113 0.868,114 -4.39,115 -4.32,116 -4.07,118 52.6,125 11,126 3,128 3,129 1,132 2,142 12,145 4,147 3,148 12,151 3,152 1,153 4,154 9,158 3,160 5,161 8,165 4,167 2,168 13,170 2,171 1,176 14,179 1,180 4,184 12,188 4,191 7,195 3,197 3,200 711,201 16.259,202 16.259,203 16.259,204 16.259,205 16.259,206 13.6,208 10.029,209 16.444,210 12.914,211 12.914,212 12.914,213 12.914,214 12.914,215 9.086,217 4.832,218 13.206,219 3.942,220 2.76,221 1.64,222 0.724,223 0.421,224 0.421,225 3.894,228 1,229 405,230 1.732,231 58.326,232 212.854,234 1.1,235 8.372,236 5.638}
{0 CHEMBL91730,1 1.714,2 9.077,3 5.098,4 25.992,5 98.132,6 9.38,7 0.793,8 3.801,9 3.891,10 3.56,11 3.443,12 5.071,13 3.439,14 4.245,15 4.356,16 3.946,17 3.814,18 5.525,19 3.802,20 4.487,21 4.646,22 4.005,23 3.903,24 5.762,25 3.875,26 4.486,27 4.654,28 3.931,29 3.857,30 5.724,31 3.834,32 4.504,33 4.666,34 3.972,35 3.869,36 5.773,37 3.863,38 4.529,39 4.682,40 3.968,41 3.924,42 5.787,43 3.886,44 4.552,45 4.729,46 3.956,47 3.924,48 5.933,49 3.84,50 4.499,51 4.736,52 3.601,53 3.757,54 5.58,55 3.625,56 0.103,57 0.597,58 4.517,59 3.059,60 8.851,61 3.258,62 0.171,63 0.945,64 7.726,65 4.815,66 9.489,67 5.251,68 0.364,69 1.183,70 16.392,71 6.825,72 37.936,73 7.405,74 0.346,75 1.168,76 16.332,77 6.639,78 36.287,79 7.107,80 0.408,81 1.138,82 14.407,83 6.303,84 37.776,85 6.435,86 0.405,87 1.147,88 14.671,89 7.035,90 45.168,91 7.337,92 0.587,93 1.234,94 17.387,95 8.153,96 68.644,97 9.919,98 0.313,99 1.144,100 20.611,101 8.491,102 33.336,103 10.939,104 10,105 41,106 0.298,107 0.55,108 0.71,109 0.813,110 0.813,111 0.813,112 3.305,113 0.854,114 -5.4,115 -5.28,116 -4.93,118 51.3,125 10,126 3,127 3,128 2,129 1,133 1,139 1,142 9,145 7,146 1,147 1,148 12,151 10,152 1,153 1,154 11,158 8,160 5,161 6,164 1,165 6,167 6,168 12,169 1,170 2,176 16,180 2,181 1,183 1,184 13,188 4,191 6,195 2,197 4,200 1016,201 17.706,202 17.706,203 17.706,204 17.706,205 17.706,206 14.917,207 9.941,208 10.437,209 18.107,210 14.309,211 14.309,212 14.309,213 14.309,214 14.309,215 10.268,216 6.173,217 4.985,218 15.047,219 3.572,220 2.128,221 1.211,222 0.615,223 0.615,224 0.615,225 4.002,226 1,228 1,229 514,230 2.121,231 69.793,232 248.094,234 1.32,235 29.285,236 7.456}
{0 CHEMBL91934,1 1.581,2 10.107,3 4.829,4 23.321,5 112.91,6 8.309,7 0.742,8 3.946,9 4.042,10 3.708,11 3.636,12 5.094,13 3.579,14 4.427,15 4.563,16 3.998,17 4.005,18 5.585,19 3.938,20 4.653,21 4.815,22 4.029,23 4.111,24 5.826,25 4.03,26 4.701,27 4.885,28 3.943,29 4.111,30 5.788,31 4.012,32 4.751,33 4.974,34 3.902,35 4.111,36 5.709,37 4,38 4.672,39 4.883,40 3.961,41 4.085,42 5.682,43 3.978,44 4.662,45 4.846,46 3.965,47 4.087,48 5.798,49 3.98,50 4.719,51 4.939,52 3.827,53 4.013,54 5.813,55 3.886,56 0.037,57 0.681,58 9.19,59 4.51,60 8.668,61 5.193,62 0.051,63 1.11,64 17.487,65 7.818,66 16.008,67 9.106,68 0.204,69 1.403,70 21.803,71 9.288,72 43.078,73 10.622,74 0.18,75 1.419,76 23.072,77 9.951,78 38.655,79 12.095,80 0.181,81 1.414,82 24.34,83 10.406,84 34.526,85 13.788,86 0.205,87 1.383,88 22.538,89 9.805,90 27.813,91 13.092,92 0.169,93 1.409,94 22.666,95 9.929,96 30.889,97 12.098,98 0.183,99 1.446,100 24.266,101 10.399,102 42.065,103 13.062,104 18,105 44,106 0.265,107 0.551,108 0.712,109 0.826,110 0.84,111 0.84,112 3.375,113 1.009,114 -5.35,115 -5.23,116 -4.89,118 48.9,119 1,121 1,125 11,126 4,127 2,128 1,129 1,132 2,142 12,145 3,147 4,148 15,151 3,153 5,154 14,158 3,160 6,161 16,165 2,168 19,170 1,171 1,173 1,176 19,180 4,181 1,184 15,188 5,191 8,195 4,197 2,200 1250,201 18.809,202 18.809,203 18.809,204 18.809,205 18.809,206 15.983,207 6.794,208 10.96,209 19.275,210 15.297,211 15.297,212 15.297,213 15.297,214 15.297,215 11.069,216 3.968,217 5.221,218 16.037,219 3.973,220 2.268,221 1.31,222 0.628,223 0.543,224 0.543,225 4.07,228 1,229 610,230 2.739,231 77.848,232 276.408,234 1.48,235 24.879,236 8.222}
{0 CHEMBL92440,1 1.451,2 8.44,3 5.322,4 28.325,5 94.256,6 8.522,7 0.821,8 3.782,9 3.882,10 3.466,11 3.444,12 5.022,13 3.432,14 4.241,15 4.362,16 3.822,17 3.815,18 5.496,19 3.793,20 4.487,21 4.664,22 3.861,23 3.899,24 5.697,25 3.857,26 4.493,27 4.677,28 3.867,29 3.873,30 5.849,31 3.826,32 4.52,33 4.72,34 3.828,35 3.904,36 5.65,37 3.849,38 4.496,39 4.69,40 3.816,41 3.894,42 5.68,43 3.831,44 4.485,45 4.669,46 3.793,47 3.844,48 5.788,49 3.792,50 4.486,51 4.71,52 3.578,53 3.685,54 5.781,55 3.603,56 0.038,57 0.639,58 5.54,59 3.281,60 5.607,61 3.728,62 0.071,63 1.031,64 9.549,65 5.361,66 10.243,67 6.119,68 0.217,69 1.341,70 15.833,71 7.428,72 37.757,73 8.557,74 0.447,75 1.472,76 16.477,77 7.356,78 69.649,79 8.671,80 0.235,81 1.318,82 17.485,83 7.676,84 35.741,85 9.299,86 0.263,87 1.309,88 16.682,89 7.654,90 32.81,91 9.453,92 0.209,93 1.369,94 16.417,95 7.865,96 36.247,97 9.084,98 0.349,99 1.381,100 18.884,101 8.052,102 53.746,103 9.508,104 5,105 39,106 0.253,107 0.464,108 0.672,109 0.825,110 0.849,111 0.849,112 3.268,113 0.843,114 -5.93,115 -5.79,116 -5.39,118 53.8,125 11,126 4,127 2,128 2,132 2,142 12,145 2,147 4,148 15,151 1,153 4,154 12,158 1,160 6,161 12,165 1,167 1,168 16,170 1,171 1,176 17,180 2,184 12,188 4,191 7,195 2,197 2,200 929,201 17.206,202 17.206,203 17.206,204 17.206,205 17.206,206 14.47,207 3.255,208 10.322,209 17.442,210 13.864,211 13.864,212 13.864,213 13.864,214 13.864,215 9.886,216 1.987,217 4.952,218 14.281,219 3.834,220 2.619,221 1.425,222 0.552,223 0.41,224 0.41,225 3.967,228 1,229 461,230 2,231 64.565,232 234.699,234 1.222,235 26.987,236 7.538}
{0 CHEMBL92498,1 1.482,2 9.923,3 5.1,4 26.012,5 100.503,6 8.01,7 0.793,8 3.869,9 3.97,10 3.507,11 3.498,12 5.057,13 3.482,14 4.339,15 4.472,16 3.841,17 3.863,18 5.502,19 3.835,20 4.534,21 4.703,22 3.868,23 3.969,24 5.654,25 3.912,26 4.576,27 4.762,28 3.8,29 3.979,30 5.619,31 3.897,32 4.64,33 4.866,34 3.788,35 4.004,36 5.573,37 3.903,38 4.581,39 4.794,40 3.802,41 3.96,42 5.611,43 3.868,44 4.523,45 4.704,46 3.768,47 3.912,48 5.657,49 3.835,50 4.564,51 4.796,52 3.577,53 3.804,54 5.628,55 3.69,56 0.017,57 0.621,58 7.252,59 3.777,60 6.061,61 4.503,62 0.1,63 0.99,64 13.192,65 6.173,66 16.436,67 7.297,68 0.158,69 1.235,70 17.51,71 7.844,72 27.786,73 9.47,74 0.171,75 1.259,76 18.724,77 8.221,78 27.732,79 10.276,80 0.143,81 1.28,82 21.436,83 9.123,84 22.996,85 12.378,86 0.252,87 1.248,88 19.98,89 8.682,90 25.838,91 11.682,92 0.12,93 1.2,94 17.767,95 8.176,96 24.707,97 10.102,98 0.149,99 1.25,100 20.568,101 8.592,102 31.704,103 11.202,104 6,105 40,106 0.254,107 0.519,108 0.678,109 0.798,110 0.814,111 0.814,112 3.305,113 0.857,114 -5.2,115 -5.1,116 -4.77,118 51.2,121 1,125 11,126 4,127 2,128 2,132 2,142 12,145 4,147 4,148 14,151 3,153 5,154 13,158 2,160 6,161 14,165 1,168 18,170 2,171 2,176 18,180 4,184 12,188 6,191 4,195 6,200 1030,201 18.024,202 18.024,203 18.024,204 18.024,205 18.024,206 15.368,207 5.941,208 10.7,209 18.388,210 14.274,211 14.274,212 14.274,213 14.274,214 14.274,215 10.318,216 5.313,217 5.044,218 14.782,219 3.944,220 2.393,221 1.461,222 0.762,223 0.669,224 0.669,225 4.005,228 1,229 562,230 2.236,231 70.671,232 251.944,234 1.402,235 18.551,236 7.222}