@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4101

@attribute molecule_id 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9034,CHEMBL309078,CHEMBL312067,CHEMBL316264,CHEMBL31965,CHEMBL326282,CHEMBL336961,CHEMBL340384,CHEMBL340921,CHEMBL360847,CHEMBL362558,CHEMBL363648,CHEMBL365286,CHEMBL371206,CHEMBL373598,CHEMBL375284,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379835,CHEMBL379975,CHEMBL38380,CHEMBL384304,CHEMBL385478,CHEMBL386051,CHEMBL387971,CHEMBL392642,CHEMBL394619,CHEMBL394790,CHEMBL396523,CHEMBL397521,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL406845,CHEMBL407391,CHEMBL411903,CHEMBL412142,CHEMBL413460,CHEMBL413779,CHEMBL415049,CHEMBL41783,CHEMBL422897,CHEMBL424872,CHEMBL428690,CHEMBL432168,CHEMBL437747,CHEMBL438491,CHEMBL440084,CHEMBL441802,CHEMBL443962,CHEMBL445813,CHEMBL447602,CHEMBL447678,CHEMBL449834,CHEMBL450179,CHEMBL450260,CHEMBL450786,CHEMBL451401,CHEMBL451964,CHEMBL453737,CHEMBL454225,CHEMBL458997,CHEMBL460472,CHEMBL461876,CHEMBL462120,CHEMBL464552,CHEMBL465518,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL482538,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL484990,CHEMBL485556,CHEMBL49120,CHEMBL491473,CHEMBL491758,CHEMBL494089,CHEMBL495088,CHEMBL495739,CHEMBL495766,CHEMBL495767,CHEMBL496141,CHEMBL496365,CHEMBL497151,CHEMBL497800,CHEMBL498924,CHEMBL500989,CHEMBL501706,CHEMBL504950,CHEMBL505896,CHEMBL505949,CHEMBL506331,CHEMBL507936,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL509411,CHEMBL510221,CHEMBL513846,CHEMBL513909,CHEMBL514499,CHEMBL519697,CHEMBL521551,CHEMBL521851,CHEMBL522892,CHEMBL522899,CHEMBL523401,CHEMBL523738,CHEMBL523823,CHEMBL52387,CHEMBL524266,CHEMBL524516,CHEMBL525191,CHEMBL52529,CHEMBL525385,CHEMBL526133,CHEMBL535,CHEMBL535331,CHEMBL539474,CHEMBL546797,CHEMBL550418,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL564829,CHEMBL565612,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL573578,CHEMBL574738,CHEMBL576982,CHEMBL578061,CHEMBL583144,CHEMBL590109,CHEMBL592030,CHEMBL59828,CHEMBL601719,CHEMBL60254,CHEMBL604712,CHEMBL607707,CHEMBL608154,CHEMBL67442,CHEMBL7064,CHEMBL75004,CHEMBL75661,CHEMBL76537,CHEMBL76920,CHEMBL77399,CHEMBL77970,CHEMBL78129,CHEMBL80525,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute Cl.090 numeric
@attribute Eig11_EA.ri. numeric
@attribute SpMax3_Bh.m. numeric
@attribute ATS6m numeric
@attribute Eig09_EA.ri. numeric
@attribute SpMax5_Bh.m. numeric
@attribute Eig11_EA numeric
@attribute SM05_AEA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute SM15_AEA.dm. numeric
@attribute CATS2D_06_DD numeric
@attribute Eig09_EA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute C.008 numeric
@attribute SaaNH numeric
@attribute Eig11_EA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute C.026 numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig14_AEA.ed. numeric
@attribute SpMax3_Bh.p. numeric
@attribute X4sol numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute Eig06_EA numeric
@attribute SM14_AEA.bo. numeric
@attribute ZM2Kup numeric
@attribute Eig12_AEA.ed. numeric
@attribute ATS8m numeric
@attribute SpMaxA_EA.dm. numeric
@attribute ZM2Per numeric
@attribute Eig11_AEA.ri. numeric
@attribute SpMax4_Bh.m. numeric
@attribute Eig10_EA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig06_EA.bo. numeric
@attribute Psi_i_t numeric
@attribute Eig03_EA.ed. numeric
@attribute SM12_AEA.dm. numeric
@attribute nPyrroles numeric
@attribute Eig06_AEA.bo. numeric
@attribute ZM2MulPer numeric
@attribute Eig11_AEA.ed. numeric
@attribute ZM2V numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig10_EA.bo. numeric
@attribute SpMax5_Bh.p. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute Eig03_EA numeric
@attribute SM11_AEA.bo. numeric
@attribute GATS2v numeric
@attribute Yindex numeric
@attribute Eig08_EA numeric
@attribute SM02_AEA.dm. numeric
@attribute Eig06_EA.ri. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SM04_EA numeric
@attribute X5sol numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eta_beta numeric
@attribute Eig03_EA.bo. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM04_EA.bo. numeric
@attribute Eig06_AEA.ri. numeric
@attribute piPC02 numeric
@attribute SM02_EA.bo. numeric
@attribute nBnz numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute Eig05_EA.bo. numeric
@attribute SM15_AEA.ri. numeric
@attribute Xindex numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_AEA.ri. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SM03_AEA.ed. numeric
@attribute MWC05 numeric
@attribute piPC03 numeric
@attribute Eig03_AEA.bo. numeric
@attribute X5 numeric
@attribute Eig02_EA numeric
@attribute SM10_AEA.bo. numeric
@attribute Vindex numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig02_AEA.ri. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax5_Bh.v. numeric
@attribute Eig03_AEA.ri. numeric
@attribute TPC numeric
@attribute Wap numeric
@attribute SpMax6_Bh.s. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute ATS1m numeric
@attribute SpMin3_Bh.v. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM06_AEA.bo. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SM05_AEA.bo. numeric
@attribute SRW08 numeric
@attribute SaaaC numeric
@attribute Chi1_EA.ri. numeric
@attribute nBM numeric
@attribute Uc numeric
@attribute GMTIV numeric
@attribute N.066 numeric
@attribute nRNH2 numeric
@attribute SpMax5_Bh.e. numeric
@attribute Eig13_AEA.bo. numeric
@attribute SMTIV numeric
@attribute SpMin3_Bh.i. numeric
@attribute Eig02_EA.bo. numeric
@attribute SM12_AEA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Ui numeric
@attribute P_VSA_MR_8 numeric
@attribute Eig04_EA.bo. numeric
@attribute SM14_AEA.ri. numeric
@attribute GATS1s numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute NaaNH numeric
@attribute pXC50 numeric

@data
{2 0.983,3 3.785,4 3.898,5 1,6 3.463,7 1,8 1,9 2.575,10 2.575,11 1,12 4.948,13 4.948,15 1.5,16 1.602,18 3.368,19 2.275,20 2.275,21 2,22 0.886,23 2.605,24 3.747,25 8.451,26 2.512,27 2.5,28 3.247,29 2.229,30 2.229,31 1.805,32 1.805,33 436.236,34 3.414,35 3.718,36 0.098,37 666.94,38 1.984,39 3.708,40 2.275,41 2.275,42 3.621,43 2.55,45 8.043,46 8.043,48 3.253,49 462.651,50 3.414,51 434,52 3.711,53 1.5,54 3.301,55 3.913,56 1.772,57 3.032,58 3.032,59 6.21,60 2.592,61 2.592,62 0.931,63 0.579,64 1.23,65 1.23,66 1.696,67 3.748,68 6.033,69 6.866,70 3.913,71 4.69,72 40.5,73 3.578,74 3.578,75 7.299,76 2.752,77 4.404,78 5.091,79 2,80 4,81 8,82 3.038,83 3.038,84 0.312,85 1.382,86 1.892,87 1.814,88 7.372,89 7.588,90 5.025,91 3.986,92 6.78,93 2.819,94 2.819,95 0.203,96 1,97 3.769,98 2.853,99 3.239,100 3.558,101 7.412,102 14504,103 4.503,104 2.997,105 2.136,106 2.136,107 3.685,108 1.928,109 7.516,110 10.233,111 8.201,112 8.859,113 8.551,115 15.642,116 24,117 4.644,118 27336,121 3.381,122 2.277,123 14750,124 1.782,125 3.802,126 3.802,127 2.44,128 3.755,129 19.133,130 3.377,131 3.377,132 0.569,133 2.455,134 1.527,135 2.177,136 3.75,137 3.75,138 1.527,139 1,140 5.3}
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{0 CHEMBL1967302,2 1.14,3 3.768,4 3.771,5 1.496,6 3.327,7 1.155,8 1.155,9 3.821,10 3.821,11 1.219,12 5.345,13 5.345,15 2.022,16 1.556,17 1,18 3.281,19 2.748,20 2.748,21 2,22 1.04,23 3.161,24 3.688,25 9.848,26 3.019,27 2.618,28 3.212,29 2.257,30 2.257,31 1.924,32 1.924,33 443.063,34 3.489,35 3.621,36 0.058,37 660.3,38 2.144,39 3.501,40 3.7,41 3.7,42 3.511,43 2.548,45 8.84,46 8.84,47 1,48 3.348,49 452.557,50 3.582,51 427,52 4.243,53 2.003,54 3.243,55 4.463,56 2.229,57 4.409,58 4.409,59 6.294,60 2.784,61 2.784,62 0.956,63 0.367,64 1.546,65 1.546,66 1.938,67 3.702,68 6.159,69 7.94,70 3.69,71 4.819,72 42,73 3.674,74 3.674,75 7.392,76 2.94,77 4.48,78 5.168,79 2,80 5,81 7,82 2.806,83 2.806,84 0.229,85 1.629,86 2.05,87 1.727,88 7.489,89 7.718,90 5.085,91 4.124,92 7.94,93 3.052,94 3.052,95 0.141,96 1.546,97 4.042,98 3.247,99 3.257,100 3.764,101 8.128,102 46855,103 4.352,104 3.132,105 1.609,106 1.609,107 3.665,108 1.899,109 7.6,110 10.317,111 7.429,112 8.942,113 8.673,114 2.31,115 17.289,116 23,117 4.585,118 36017,119 1,120 1,121 3.402,122 2.086,123 20778,124 1.693,125 4.068,126 4.068,127 2.588,128 3.7,130 3.035,131 3.035,132 0.739,133 2.814,134 1.83,135 2.319,136 5.187,137 5.187,138 1.83,139 1,140 6.4}
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{0 CHEMBL1967513,2 0.112,3 3.669,4 3.639,5 1.043,6 3.266,7 0.131,8 0.131,9 2.54,10 2.54,11 0.638,12 5.238,13 5.238,15 1.6,16 1.527,19 0.334,20 0.334,21 2,22 -0.152,23 2.364,24 3.401,25 6.748,26 2.277,27 1.445,28 2.472,29 2.108,30 2.108,31 1.855,32 1.855,33 477.288,34 2.724,35 3.355,36 0.142,37 707.42,38 1.041,39 3.441,40 2.214,41 2.214,42 3.509,43 2.553,45 7.525,46 7.525,48 3.304,49 472.15,50 2.941,51 443,52 3.49,53 1.323,54 2.966,55 4.068,56 1.991,57 3.452,58 3.452,59 6.117,60 2.597,61 2.597,62 0.945,63 0.597,64 1.412,65 1.412,66 1.742,67 3.403,68 6.047,69 5.578,70 3.67,71 4.775,72 35.25,73 3.184,74 3.184,75 7.196,76 2.822,77 4.263,78 4.949,79 1,80 3,81 3,82 2.859,83 2.859,84 0.345,85 -0.226,86 0.773,87 1.475,88 7.345,89 7.459,90 4.814,91 3.89,92 5.918,93 3.069,94 3.069,95 0.219,96 1.065,97 4.043,98 3.043,99 3.019,100 3.535,101 7.089,102 11407,103 4.84,104 2.904,105 -0.998,106 -0.998,107 3.533,108 1.64,109 7.449,110 10.207,111 8.513,112 8.814,113 8.494,114 1.21,115 14.461,116 18,117 4.248,118 31280,121 3.263,122 1.005,123 14683,124 1.439,125 3.869,126 3.869,127 1.182,128 3.392,130 3.07,131 3.07,132 0.614,133 2.429,134 1.488,135 2.097,136 4.233,137 4.233,138 1.488,140 5.9}
{0 CHEMBL1967531,2 0.979,3 3.789,4 3.545,5 1,6 3.365,7 1,8 1,9 2.684,10 2.684,11 1,12 5.069,13 5.069,15 1.577,16 1.524,19 2.136,20 2.136,21 2,22 0.602,23 2.476,24 3.757,25 9.18,26 2.364,27 2.5,28 2.898,29 2,30 2,31 1.925,32 1.925,33 416.318,34 3.247,35 3.308,36 0.057,37 641.32,38 1.993,39 3.443,40 2.275,41 2.275,42 3.427,43 2.631,45 7.581,46 7.581,48 3.374,49 440.43,50 3.313,51 414,52 3.569,53 1.5,54 3.097,55 3.811,56 1.978,57 2.992,58 2.992,59 6.16,60 2.567,61 2.567,62 0.936,63 0.454,64 1.381,65 1.381,66 1.717,67 3.745,68 5.964,69 7.248,70 3.691,71 4.671,72 40,73 3.474,74 3.474,75 7.305,76 2.854,77 4.373,78 5.059,79 2,80 3,81 9,82 2.808,83 2.808,84 0.276,85 1.053,86 1.573,87 1.748,88 7.295,89 7.526,90 4.99,91 3.946,92 6.495,93 2.717,94 2.717,95 0.172,96 1,97 3.684,98 2.973,99 3.094,100 3.54,101 7.497,102 19527,103 4.268,104 2.989,105 0.19,106 0.19,107 3.597,108 1.885,109 7.464,110 10.183,111 7.431,112 8.806,113 8.494,114 1.719,115 15.034,116 23,117 4.585,118 26743,121 3.259,122 1.322,123 14717,124 1.716,125 3.675,126 3.675,127 2.187,128 3.7,129 31.278,130 3.061,131 3.061,132 0.758,133 2.461,134 1.513,135 2.212,136 4.034,137 4.034,138 1.513,140 5.1}
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{0 CHEMBL1967560,2 1.269,3 3.73,4 4.349,5 1.86,6 3.485,7 1.272,8 1.272,9 5.676,10 5.676,11 1.816,12 7.057,13 7.057,14 1,15 2.13,16 1.55,17 2,19 3.349,20 3.349,21 3,22 1.145,23 3.414,24 3.689,25 12.164,26 3.31,27 2.714,28 3.827,29 2.565,30 2.565,31 2.453,32 2.453,33 570.477,34 4.044,35 4.114,36 0.041,37 846.03,38 2.278,39 3.665,40 4.065,41 4.065,42 3.738,43 2.7,45 9.008,46 9.008,48 3.571,49 571.702,50 4.146,51 536,52 4.893,53 2.022,54 3.338,55 5.09,56 2.138,57 5.761,58 5.761,59 6.389,60 2.725,61 2.725,62 0.912,63 0.402,64 2.038,65 2.038,66 2.357,67 3.69,68 6.431,69 9.969,70 3.85,71 5.392,72 43.5,73 3.31,74 3.31,75 7.203,76 3.418,77 4.454,78 5.142,79 1,80 3,81 3,82 2.805,83 2.805,84 0.238,85 1.593,86 2.16,87 1.809,88 7.784,89 7.985,90 4.98,91 3.977,92 9.969,93 2.987,94 2.987,95 0.15,96 1.938,97 3.962,98 3.329,99 3.354,100 3.684,101 8.557,102 69646,103 4.373,104 3.437,105 2.618,106 2.618,107 3.93,108 1.97,109 7.692,110 10.392,111 7.431,112 9.025,113 8.965,115 21.611,116 14,117 3.907,118 52203,121 3.564,122 2.177,123 33098,124 1.752,125 3.964,126 3.964,127 2.586,128 3.17,130 3.169,131 3.169,132 0.563,133 3.1,134 2.167,135 2.588,136 6.625,137 6.625,138 2.167,140 5.1}
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{0 CHEMBL1989293,2 0.165,3 3.663,4 3.426,5 1.2,6 2.966,7 0.169,8 0.169,9 2.863,10 2.863,11 0.613,12 3.646,13 3.646,15 1.782,16 1.557,19 0.422,20 0.422,21 4,23 2.196,24 3.619,25 7.324,26 2,27 1.523,28 2.582,29 1.92,30 1.92,31 1.464,32 1.464,33 386.589,34 2.829,35 3.267,36 0.041,37 570.37,38 1.15,39 3.243,40 2.601,41 2.601,42 3.257,43 2.098,45 8.741,46 8.741,48 2.916,49 388.657,50 2.965,51 367,52 3.599,53 1.486,54 2.887,55 3.869,56 1.868,57 3.082,58 3.082,59 6.059,60 2.656,61 2.656,62 0.945,63 0.657,64 1.324,65 1.324,66 1.447,67 3.627,68 5.927,69 6.187,70 3.556,71 4.213,72 35.5,73 3.66,74 3.66,75 7.133,76 2.454,77 4.241,78 4.927,79 2,80 5,81 7,82 2.463,83 2.463,84 0.342,86 0.951,87 1.71,88 7.27,89 7.486,90 4.85,91 4.057,92 6.402,93 2.935,94 2.935,95 0.226,96 1.113,97 3.911,98 2.821,99 2.897,100 3.642,101 7.534,102 18746,103 3.995,104 2.862,105 -0.53,106 -0.53,107 3.4,108 1.839,109 7.371,110 10.097,111 8.201,112 8.719,113 8.467,115 13.186,116 19,117 4.322,118 16767,121 3.07,122 1.082,123 9096,124 1.678,125 3.88,126 3.88,127 1.283,128 3.459,130 2.896,131 2.896,132 0.527,133 2.347,134 1.414,135 2.019,136 3.274,137 3.274,138 1.414,140 6}
{0 CHEMBL1989423,2 -1.535,3 2.931,4 1.073,5 -0.926,6 2.407,7 -1.589,8 -1.589,9 -2.347,10 -2.347,11 -1.528,12 1.995,13 1.995,15 -1.239,16 1.53,18 3.024,19 -4.846,20 -4.846,22 -1.879,23 0.318,24 2.903,25 4.403,27 -0.117,28 0.514,29 1.105,30 1.105,31 0.81,32 0.81,33 183.099,34 1.1,36 0.049,37 275.78,38 -0.62,39 2.693,40 -3.588,41 -3.588,42 2.55,43 1.2,44 0.019,45 5.253,46 5.253,48 2.298,49 188.325,50 1.495,51 178,52 2,53 -1.898,54 2.366,55 2.238,56 -1.142,57 -2.01,58 -2.01,59 5.439,60 1.733,61 1.733,62 0.887,63 1.275,64 -0.821,65 -0.821,66 0.779,67 2.9,68 5.323,69 3.287,70 2.883,71 3.394,72 17.5,73 2.181,74 2.181,75 6.556,76 1.774,77 3.657,78 4.337,79 1,80 2,81 4,82 1.572,83 1.572,84 0.539,85 -2.493,86 -0.881,87 1.237,88 6.666,89 6.921,90 4.306,91 3.026,92 3.287,93 2.29,94 2.29,95 0.387,96 -1.306,97 3.278,98 1.929,99 2.364,100 2.724,101 5.916,102 2181,103 2.867,104 1.388,105 -6.166,106 -6.166,107 2.796,108 1.551,109 6.748,110 9.5,111 5.04,112 8.105,113 7.85,115 7.037,116 11,117 3.585,118 2093,121 2.578,122 -0.635,123 1386,124 1.145,125 3.313,126 3.313,127 -0.5,128 2.7,130 2.059,131 2.059,132 0.673,133 1.063,134 0.077,135 0.098,136 0.194,137 0.194,138 0.077,139 1,140 4.3}
{0 CHEMBL1989471,2 -0.422,3 3.387,4 2.982,6 2.987,7 -0.441,8 -0.441,11 -0.33,12 3.365,13 3.365,16 1.531,19 -1.07,20 -1.07,21 1,22 -0.716,23 1.811,24 3.41,25 6.341,26 1.513,27 0.935,28 1.912,29 1.763,30 1.763,31 1.371,32 1.371,33 283.312,34 2.309,35 2.278,37 431.3,38 0.52,39 3.068,40 -0.486,41 -0.486,42 3.157,43 2.032,44 0.001,45 7.881,46 7.881,48 2.858,49 292.11,50 2.347,51 275,52 2.984,53 -0.248,54 2.948,55 3.548,56 1.196,57 2.202,58 2.202,59 5.911,60 2.474,61 2.474,62 0.779,63 0.887,64 0.908,65 0.908,66 1.325,67 3.396,68 5.802,69 5.023,70 3.546,71 4.07,72 26.25,73 3.189,74 3.189,75 7.225,76 2.339,77 4.135,78 4.82,79 1,80 3,81 3,82 2.414,83 2.414,84 0.435,85 -1,86 0.224,87 1.54,88 7.165,89 7.339,90 4.856,91 3.788,92 5.023,93 2.81,94 2.81,95 0.294,96 0.016,97 3.804,98 2.783,99 2.956,100 3.464,101 6.854,102 7267,103 3.922,104 2.549,105 -2.075,106 -2.075,107 3.193,108 1.731,109 7.262,110 10.076,111 6.469,112 8.654,113 8.367,114 2.931,115 10.576,116 16,117 4.087,118 6476,121 3.112,122 0.342,123 4429,124 1.482,125 3.976,126 3.976,127 0.67,128 3.17,130 2.993,131 2.993,132 0.996,133 2.226,134 1.237,135 1.562,136 2.925,137 2.925,138 1.237,140 5.9}
{0 CHEMBL1989474,2 -0.562,3 3.611,4 3.297,5 0.757,6 2.74,7 -0.598,8 -0.598,9 2.136,10 2.136,11 -0.48,12 3.003,13 3.003,15 1.175,16 1.519,19 -1.396,20 -1.396,21 1,22 -0.737,23 1.62,24 3.451,25 5.584,26 1.555,27 0.773,28 2,29 1.644,30 1.644,31 1.166,32 1.166,33 325.373,34 2,35 2.493,37 470.12,38 0.345,39 2.955,40 -0.412,41 -0.412,42 3.072,43 1.671,44 0.001,45 6.299,46 6.299,48 2.619,49 325.807,50 2.236,51 305,52 3.247,53 -0.231,54 2.735,55 3.414,56 1.5,57 2.211,58 2.211,59 5.833,60 2.321,61 2.321,62 0.76,63 0.812,64 1,65 1,66 1.092,67 3.482,68 5.645,69 4.603,70 3.434,71 3.912,72 28.5,73 3.269,74 3.269,75 6.938,76 2.107,77 4.047,78 4.732,79 1,80 2,81 4,82 2.302,83 2.302,84 0.41,85 -0.976,86 0.14,87 1.48,88 6.978,89 7.207,90 4.653,91 3.741,92 4.833,93 2.577,94 2.577,95 0.274,96 0.314,97 3.55,98 2.687,99 2.715,100 3.264,101 6.507,102 4863,103 3.772,104 2.5,105 -2.347,106 -2.347,107 3.22,108 1.763,109 7.133,110 9.841,111 8.201,112 8.471,113 8.161,115 10.865,116 17,117 4.17,118 10085,121 2.854,122 0.5,123 5587,124 1.391,125 3.579,126 3.579,127 0.5,128 3.248,130 2.744,131 2.744,132 0.537,133 2,134 1,135 1.5,136 2.275,137 2.275,138 1,140 5.1}
{0 CHEMBL1989518,2 -0.578,3 3.377,4 3.046,5 0.238,6 2.754,7 -0.634,8 -0.634,9 0.439,10 0.439,11 -0.432,12 2.432,13 2.432,15 0.294,16 1.421,19 -1.306,20 -1.306,21 1,22 -0.85,23 1.11,24 3.312,25 4.367,26 1.029,27 0.704,28 1.555,29 1.414,30 1.414,31 1.183,32 1.183,33 239.102,34 1.581,35 2.674,36 0.045,37 346.14,38 0.286,39 3.155,40 -0.955,41 -0.955,42 2.716,43 1.5,44 0.001,45 5.902,46 5.902,48 2.5,49 244.183,50 1.696,51 229,52 2.481,53 -0.51,54 2.735,55 3.076,56 0.981,57 1.408,58 1.408,59 5.57,60 2.093,61 2.093,62 0.985,63 0.706,64 0.604,65 0.604,66 1.093,67 3.317,68 5.252,69 3.517,70 2.973,71 3.38,72 25.25,73 2.706,74 2.706,75 6.533,76 2.11,77 3.784,78 4.466,82 1.8,83 1.8,84 0.419,85 -1.313,86 0.109,87 1.493,88 6.535,89 6.819,90 4.304,91 3.426,92 3.517,93 2.502,94 2.502,95 0.264,96 -0.265,97 3.487,98 2.687,99 2.715,100 3.04,101 5.989,102 2730,103 3.702,104 2.433,105 -2.347,106 -2.347,107 3.126,108 1.766,109 6.802,110 9.372,111 5.04,112 8.071,113 7.784,115 9.852,116 13,117 3.807,118 8268,119 1,120 1,121 2.887,122 0.5,123 5091,124 1.419,125 3.481,126 3.481,127 0.615,128 3,130 2.152,131 2.152,132 1.09,133 1.984,134 1,135 1.428,136 2.136,137 2.136,138 1,140 6.2}
{0 CHEMBL1989646,2 0.654,3 3.745,4 3.5,5 1.078,6 2.953,7 0.669,8 0.669,9 2.761,10 2.761,11 0.715,12 4.182,13 4.182,15 1.587,16 1.522,18 2.903,19 1.578,20 1.578,22 0.076,23 2.194,24 3.621,25 7.568,26 2,27 2.117,28 2.54,29 1.869,30 1.869,31 1.532,32 1.532,33 378.108,34 2.896,35 2.948,36 0.02,37 556.68,38 1.648,39 3.269,40 2.136,41 2.136,42 3.298,43 2.138,45 7.81,46 7.81,48 2.954,49 383.861,50 3.228,51 361,52 3.583,53 1.5,54 2.965,55 3.816,56 1.66,57 2.954,58 2.954,59 6.08,60 2.551,61 2.551,62 0.884,63 0.56,64 1.179,65 1.179,66 1.512,67 3.652,68 5.927,69 5.809,70 3.637,71 4.499,72 33,73 3.452,74 3.452,75 7.285,76 2.519,77 4.304,78 4.99,79 2,80 4,81 8,82 2.635,83 2.635,84 0.313,85 0.094,86 1.054,87 1.563,88 7.27,89 7.484,90 4.961,91 3.914,92 5.809,93 2.991,94 2.991,95 0.201,96 1,97 3.957,98 2.855,99 2.95,100 3.54,101 7.31,102 14361,103 3.878,104 2.78,105 -0.92,106 -0.92,107 3.417,108 1.756,109 7.401,110 10.162,111 5.254,112 8.765,113 8.434,114 1.82,115 13.143,116 21,117 4.459,118 15350,121 3.111,122 0.964,123 9122,124 1.509,125 4.124,126 4.124,127 1.326,128 3.524,130 3.073,131 3.073,132 1.006,133 2.296,134 1.317,135 1.906,136 3.233,137 3.233,138 1.317,139 1,140 6.1}
{0 CHEMBL1989708,2 1.288,3 3.879,4 4.121,5 1.741,6 3.459,7 1.34,8 1.34,9 4.755,10 4.755,11 1.417,12 6.9,13 6.9,15 2.337,16 1.53,17 1,19 3.862,20 3.862,21 2,22 1.178,23 3.479,24 3.808,25 12.64,26 3.414,27 2.732,28 3.589,29 2.461,30 2.461,31 2.294,32 2.294,33 554.588,34 3.981,35 4.069,36 0.041,37 847.09,38 2.306,39 3.795,40 4.549,41 4.549,42 3.778,43 2.941,45 7.955,46 7.955,48 3.606,49 581.384,50 4.318,51 546,52 4.58,53 2.169,54 3.367,55 4.901,56 2.561,57 5.514,58 5.514,59 6.485,60 2.737,61 2.737,62 0.867,63 0.366,64 1.995,65 1.995,66 2.216,67 3.812,68 6.347,69 9.813,70 4.018,71 5.377,72 50,73 3.671,74 3.671,75 7.609,76 3.263,77 4.668,78 5.357,79 2,80 4,81 8,82 3.173,83 3.173,84 0.225,85 1.728,86 2.179,87 1.846,88 7.687,89 7.899,90 5.288,91 4.09,92 8.946,93 2.887,94 2.887,95 0.14,96 1.864,97 3.869,98 3.383,99 3.359,100 3.709,101 8.637,102 81258,103 4.742,104 3.465,105 2.586,106 2.586,107 3.898,108 1.94,109 7.801,110 10.538,111 7.431,112 9.154,113 8.853,114 1.91,115 20.57,116 28,117 4.858,118 58490,121 3.523,122 2.552,123 33754,124 1.828,125 3.89,126 3.89,127 2.658,128 3.954,129 31.278,130 3.63,131 3.63,132 0.859,133 3.068,134 2.093,135 2.773,136 5.71,137 5.71,138 2.093,140 5.2}
{0 CHEMBL1989805,2 0.657,3 3.772,4 4.164,5 1.115,6 3.401,7 0.687,8 0.687,9 2.592,10 2.592,11 1.232,12 5.797,13 5.797,14 1,15 1.604,16 1.716,19 1.492,20 1.492,22 0.618,23 3,24 3.621,25 10.602,26 2.772,27 2.262,28 3,29 2.329,30 2.329,31 1.881,32 1.881,33 498.067,34 3.045,35 3.413,36 0.105,37 760.62,38 1.65,39 3.536,40 2.179,41 2.179,42 3.777,43 2.349,45 8.714,46 8.714,48 3.356,49 514.563,50 3.382,51 484,52 3.73,53 1.305,54 3.22,55 4.323,56 1.821,57 3.471,58 3.471,59 6.278,60 2.577,61 2.577,62 0.823,63 0.715,64 1.35,65 1.35,66 1.779,67 3.632,68 6.168,69 7.986,70 3.949,71 5.15,72 36,73 3.476,74 3.476,75 7.187,76 2.834,77 4.337,78 5.024,82 3.195,83 3.195,84 0.352,85 0.927,86 1.618,87 1.455,88 7.537,89 7.748,90 4.933,91 4.036,92 6.982,93 2.96,94 2.96,95 0.237,96 1.581,97 3.931,98 2.993,99 3.258,100 3.558,101 7.509,102 15608,103 5.024,104 3.106,105 1.372,106 1.372,107 3.648,108 1.603,109 7.613,110 10.388,111 7.438,112 8.984,113 8.675,115 15.159,116 16,117 4.087,118 26908,119 1,120 1,121 3.442,122 2.118,123 13857,124 1.416,125 3.704,126 3.704,127 2.118,128 3.7,129 32.22,130 3.4,131 3.4,132 0.674,133 2.596,134 1.623,135 2.093,136 4.411,137 4.411,138 1.623,140 5.1}
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{0 CHEMBL1999153,2 0.946,3 3.732,4 3.663,5 1.148,6 3.275,7 1,8 1,9 2.828,10 2.828,11 1,12 4.34,13 4.34,14 1,15 1.77,16 1.512,18 3.071,19 2.431,20 2.431,22 0.588,23 2.738,24 3.602,25 7.62,26 2.411,27 2.5,28 3.074,29 2.16,30 2.16,31 1.568,32 1.568,33 487.408,34 3.16,35 3.489,36 0.128,37 717.15,38 1.949,39 3.332,40 2.719,41 2.719,42 3.523,43 2.32,45 8.012,46 8.012,47 1,48 3.047,49 475.829,50 3.481,51 448,52 3.619,53 1.617,54 3.088,55 4.019,56 2.071,57 3.451,58 3.451,59 6.209,60 2.639,61 2.639,62 0.918,63 0.498,64 1.454,65 1.454,66 1.522,67 3.626,68 6.146,69 6.075,70 3.666,71 4.539,72 38.75,73 3.676,74 3.676,75 7.335,76 2.539,77 4.385,78 5.072,79 1,80 2,81 4,82 2.84,83 2.84,84 0.29,85 0.755,86 1.567,87 1.735,88 7.453,89 7.606,90 5.011,91 4.046,92 6.702,93 3.157,94 3.157,95 0.184,96 1.221,97 4.134,98 3.124,99 3.089,100 3.567,101 7.633,102 23480,103 4.694,104 3.002,105 1.16,106 1.16,107 3.573,108 1.901,109 7.537,110 10.308,111 8.513,112 8.905,113 8.606,114 1.643,115 15.831,116 22,117 4.524,118 32219,121 3.318,122 1.847,123 16480,124 1.685,125 3.994,126 3.994,127 1.973,128 3.585,130 2.917,131 2.917,132 0.589,133 2.509,134 1.544,135 2.219,136 3.586,137 3.586,138 1.544,139 1,140 7.2}
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{0 CHEMBL1999414,2 1.262,3 3.806,4 4.175,5 1.708,6 3.53,7 1.279,8 1.279,9 4.681,10 4.681,11 1.686,12 6.643,13 6.643,14 1,15 2.344,16 1.51,19 3.1,20 3.1,21 2,22 1.178,23 3.442,24 3.784,25 12.208,26 3.414,27 2.658,28 3.479,29 2.445,30 2.445,31 2.325,32 2.325,33 530.292,34 3.647,35 4.109,36 0.04,37 811.35,38 2.274,39 3.654,40 4.157,41 4.157,42 3.677,43 2.778,45 7.836,46 7.836,48 3.466,49 556.073,50 4.02,51 523,52 4.549,53 2.086,54 3.368,55 4.9,56 2.445,57 5.416,58 5.416,59 6.437,60 2.718,61 2.718,62 0.911,63 0.388,64 1.927,65 1.927,66 2.242,67 3.778,68 6.308,69 9.318,70 3.921,71 5.271,72 48.5,73 3.66,74 3.66,75 7.501,76 3.304,77 4.598,78 5.286,79 2,80 4,81 8,82 2.994,83 2.994,84 0.244,85 1.586,86 2.179,87 1.836,88 7.646,89 7.852,90 5.188,91 4.074,92 8.465,93 2.807,94 2.807,95 0.15,96 1.723,97 3.799,98 3.386,99 3.372,100 3.696,101 8.381,102 61358,103 4.58,104 3.446,105 2.585,106 2.585,107 3.93,108 1.979,109 7.742,110 10.462,111 7.432,112 9.085,113 8.814,114 1.581,115 20.894,116 24,117 4.644,118 60636,121 3.559,122 2.5,123 38019,124 1.817,125 3.753,126 3.753,127 2.56,128 3.807,129 31.278,130 3.382,131 3.382,132 0.675,133 3.068,134 2.092,135 2.617,136 5.71,137 5.71,138 2.092,140 5.9}
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{0 CHEMBL2001228,2 1.373,3 3.912,4 4.753,5 1.824,6 3.762,7 1.431,8 1.431,9 5.222,10 5.222,11 1.836,12 7.562,13 7.562,15 2.548,16 1.548,19 4.168,20 4.168,21 5,22 1.349,23 3.772,24 3.851,25 15.663,26 3.572,27 2.9,28 3.907,29 2.663,30 2.663,31 2.395,32 2.395,33 746.165,34 4.358,35 4.489,36 0.021,37 1145.06,38 2.392,39 3.867,40 4.396,41 4.396,42 4.036,43 3.101,45 9.571,46 9.571,48 3.708,49 771.874,50 4.528,51 729,52 4.895,53 2.115,54 3.613,55 5.062,56 2.685,57 6.006,58 6.006,59 6.684,60 2.906,61 2.906,62 0.884,63 0.325,64 2.049,65 2.049,66 2.218,67 3.855,68 6.578,69 12.874,70 4.195,71 5.669,72 63.25,73 3.899,74 3.899,75 7.797,76 3.323,77 4.868,78 5.557,79 3,80 7,81 11,82 3.638,83 3.638,84 0.191,85 2.019,86 2.379,87 1.875,88 7.923,89 8.154,90 5.508,91 4.264,92 12.078,93 3.014,94 3.014,95 0.12,96 2.032,97 3.979,98 3.552,99 3.617,100 3.855,101 9.606,102 281333,103 4.743,104 3.592,105 3.173,106 3.173,107 4.138,108 1.971,109 7.998,110 10.741,111 8.201,112 9.352,113 9.113,114 0.748,115 26.433,116 34,117 5.129,118 107319,121 3.761,122 2.861,123 57218,124 1.854,125 4.035,126 4.035,127 2.867,128 4.209,129 31.278,130 3.777,131 3.777,132 0.558,133 3.232,134 2.277,135 2.859,136 7.12,137 7.12,138 2.277,140 5.9}
{0 CHEMBL2001239,2 1,3 3.744,4 4.149,5 1.291,6 3.308,7 1,8 1,9 3.974,10 3.974,11 1.154,12 6.063,13 6.063,15 1.821,16 1.533,19 2.275,20 2.275,21 3,22 0.578,23 2.772,24 3.512,25 7.556,26 2.637,27 2.5,28 3.056,29 2.231,30 2.231,31 2.197,32 2.197,33 560.065,34 3.414,35 4.15,36 0.123,37 827.93,38 2,39 3.659,40 2.598,41 2.598,42 3.572,43 2.825,45 7.944,46 7.944,48 3.516,49 556.634,50 3.425,51 520,52 4.359,53 1.736,54 3.003,55 4.562,56 2.052,57 4.496,58 4.496,59 6.255,60 2.694,61 2.694,62 0.873,63 0.649,64 1.662,65 1.662,66 1.948,67 3.564,68 6.201,69 6.411,70 3.956,71 5.049,72 41.25,73 3.552,74 3.552,75 7.248,76 3.117,77 4.376,78 5.063,79 2,80 6,81 6,82 2.92,83 2.92,84 0.353,85 0.734,86 1.576,87 1.631,88 7.507,89 7.608,90 4.881,91 4.067,92 6.34,93 3.131,94 3.131,95 0.229,96 1.216,97 4.103,98 3.132,99 3.019,100 3.615,101 7.277,102 12650,103 5.27,104 3.184,105 0.6,106 0.6,107 3.7,108 1.845,109 7.582,110 10.324,111 8.516,112 8.94,113 8.636,115 17.104,116 19,117 4.322,118 48806,121 3.222,122 1.518,123 22808,124 1.563,125 3.665,126 3.665,127 1.887,128 3.459,130 3.499,131 3.499,132 0.723,133 2.724,134 1.804,135 2.433,136 5.034,137 5.034,138 1.804,140 5.1}
{0 CHEMBL2001257,2 1.178,3 3.805,4 4.056,5 1.6,6 3.467,7 1.181,8 1.181,9 4.593,10 4.593,11 1.24,12 6.626,13 6.626,15 2.314,16 1.512,19 2.609,20 2.609,21 2,22 1.007,23 3.39,24 3.788,25 11.441,26 2.96,27 2.658,28 3.414,29 2.429,30 2.429,31 2.223,32 2.223,33 492.966,34 3.479,35 4.03,36 0.044,37 760.75,38 2.179,39 3.635,40 3.287,41 3.287,42 3.714,43 2.777,45 7.806,46 7.806,48 3.5,49 522.842,50 3.694,51 491,52 4.505,53 1.937,54 3.334,55 4.717,56 2.454,57 4.969,58 4.969,59 6.424,60 2.676,61 2.676,62 0.846,63 0.403,64 1.827,65 1.827,66 2.156,67 3.781,68 6.232,69 8.809,70 3.944,71 5.269,72 46.75,73 3.66,74 3.66,75 7.503,76 3.196,77 4.577,78 5.265,79 2,80 4,81 8,82 2.983,83 2.983,84 0.251,85 1.581,86 2.02,87 1.843,88 7.568,89 7.779,90 5.188,91 4.074,92 7.983,93 2.761,94 2.761,95 0.155,96 1.813,97 3.736,98 3.382,99 3.322,100 3.66,101 8.216,102 49186,103 4.473,104 3.464,105 2.275,106 2.275,107 3.847,108 1.953,109 7.737,110 10.467,111 7.431,112 9.087,113 8.743,114 1.96,115 19.392,116 24,117 4.644,118 48168,121 3.46,122 2.5,123 30062,124 1.824,125 3.74,126 3.74,127 2.561,128 3.907,129 31.278,130 3.332,131 3.332,132 0.77,133 3.054,134 2.089,135 2.635,136 5.71,137 5.71,138 2.089,140 5.1}
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{0 CHEMBL2001477,2 0.585,3 3.697,4 3.501,5 0.983,6 3.136,7 0.614,8 0.614,9 2.136,10 2.136,11 0.805,12 3.136,13 3.136,15 1.5,16 1.498,19 1.44,20 1.44,21 1,22 -0.231,23 2.08,24 3.642,25 6.493,26 1.789,27 1.849,28 2.416,29 1.766,30 1.766,31 1.478,32 1.478,33 313.284,34 2.547,35 3.411,36 0.039,37 464.96,38 1.57,39 3.25,40 2.136,41 2.136,42 3.161,43 2.074,45 6.975,46 6.975,48 2.912,49 323.932,50 3.121,51 305,52 3.247,53 1.484,54 3.059,55 3.489,56 1.5,57 2.473,58 2.473,59 5.953,60 2.511,61 2.511,62 0.986,63 0.653,64 1,65 1,66 1.47,67 3.65,68 5.727,69 5.152,70 3.414,71 3.717,72 34,73 3.441,74 3.441,75 6.976,76 2.473,77 4.151,78 4.836,79 2,80 4,81 8,82 2.353,83 2.353,84 0.359,85 -0.297,86 0.758,87 1.72,88 7.05,89 7.277,90 4.707,91 3.892,92 5.152,93 2.715,94 2.715,95 0.232,96 1,97 3.714,98 2.701,99 3.094,100 3.507,101 6.765,102 7100,103 4.075,104 2.743,105 -1.235,106 -1.235,107 3.355,108 1.853,109 7.23,110 9.892,111 7.437,112 8.545,113 8.265,115 12.521,116 19,117 4.322,118 15101,121 3.269,122 0.853,123 9022,124 1.685,125 3.594,126 3.594,127 1.134,128 3.459,130 2.758,131 2.758,132 0.733,133 2.243,134 1.262,135 1.835,136 2.867,137 2.867,138 1.262,140 5.1}
{0 CHEMBL2001485,2 1.48,3 3.884,4 4.208,5 1.793,6 3.556,7 1.541,8 1.541,9 5.451,10 5.451,11 1.92,12 6.992,13 6.992,15 2.576,16 1.567,17 1,19 4.267,20 4.267,21 2,22 1.097,23 3.585,24 3.811,25 13.003,26 3.414,27 2.903,28 3.922,29 2.566,30 2.566,31 2.388,32 2.388,33 608.416,34 4.17,35 4.194,36 0.046,37 928.11,38 2.506,39 3.799,40 4.867,41 4.867,42 3.942,43 3.059,45 9.423,46 9.423,48 3.732,49 637.391,50 4.49,51 596,52 4.958,53 2.378,54 3.424,55 5.03,56 2.821,57 5.876,58 5.876,59 6.57,60 2.806,61 2.806,62 0.771,63 0.357,64 2.133,65 2.133,66 2.315,67 3.818,68 6.457,69 10.306,70 4.047,71 5.487,72 53.75,73 3.673,74 3.673,75 7.666,76 3.36,77 4.732,78 5.421,79 2,80 4,81 8,82 3.308,83 3.308,84 0.221,85 1.588,86 2.112,87 1.847,88 7.808,89 7.992,90 5.352,91 4.125,92 9.439,93 3.037,94 3.037,95 0.136,96 2.004,97 4.006,98 3.424,99 3.437,100 3.793,101 8.846,102 105330,103 4.742,104 3.563,105 2.731,106 2.731,107 3.971,108 1.95,109 7.892,110 10.64,111 7.432,112 9.251,113 8.955,114 1.851,115 21.949,116 29,117 4.907,118 71740,121 3.619,122 2.5,123 41774,124 1.828,125 3.922,126 3.922,127 2.561,128 4.044,129 31.278,130 3.623,131 3.623,132 0.675,133 3.182,134 2.221,135 2.893,136 6.668,137 6.668,138 2.221,140 5.1}
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{0 CHEMBL2001751,2 1.371,3 3.843,4 4.13,5 1.649,6 3.501,7 1.434,8 1.434,9 4.958,10 4.958,11 1.546,12 6.562,13 6.562,15 2.243,16 1.549,17 1,18 3.287,19 3.703,20 3.703,21 2,22 1.23,23 3.489,24 3.763,25 11.988,26 3.341,27 2.875,28 3.582,29 2.438,30 2.438,31 2.269,32 2.269,33 561.426,34 3.69,35 3.94,36 0.026,37 836.3,38 2.394,39 3.74,40 3.878,41 3.878,42 3.729,43 2.81,45 9.141,46 9.141,47 1,48 3.523,49 570.758,50 4.145,51 539,52 4.755,53 2.181,54 3.48,55 4.801,56 2.319,57 5.212,58 5.212,59 6.501,60 2.851,61 2.851,62 0.933,63 0.32,64 1.837,65 1.837,66 2.21,67 3.779,68 6.358,69 9.515,70 3.939,71 5.261,72 51.5,73 3.806,74 3.806,75 7.605,76 3.245,77 4.687,78 5.375,79 2,80 5,81 7,82 3.138,83 3.138,84 0.199,85 1.739,86 2.23,87 1.741,88 7.693,89 7.928,90 5.323,91 4.218,92 9.515,93 3.072,94 3.072,95 0.123,96 1.589,97 4.058,98 3.347,99 3.476,100 3.837,101 8.84,102 113316,103 4.701,104 3.442,105 2.748,106 2.748,107 3.848,108 1.899,109 7.81,110 10.539,111 7.429,112 9.158,113 8.867,114 2.285,115 20.752,116 29,117 4.907,118 60587,119 1,120 1,121 3.621,122 2.618,123 34295,124 1.715,125 4.202,126 4.202,127 2.685,128 4.044,130 3.515,131 3.515,132 0.752,133 3.027,134 2.03,135 2.747,136 6.233,137 6.233,138 2.03,139 1,140 7.9}
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{0 CHEMBL2001923,2 1.732,3 3.902,4 4.532,5 2.16,6 3.75,7 1.879,8 1.879,9 6.656,10 6.656,11 2.311,12 8.359,13 8.359,15 2.837,16 1.564,19 5.501,20 5.501,21 8,22 1.678,23 4.447,24 3.849,25 15.976,26 4.209,27 3.263,28 4.468,29 2.777,30 2.777,31 2.493,32 2.493,33 829.333,34 4.879,35 4.551,36 0.019,37 1215.39,38 2.787,39 3.873,40 6.154,41 6.154,42 4.139,43 3.255,45 9.32,46 9.32,47 1,48 3.835,49 822.113,50 4.991,51 776,52 5.257,53 2.608,54 3.74,55 5.337,56 2.933,57 6.868,58 6.868,59 6.808,60 2.979,61 2.979,62 0.891,63 0.24,64 2.247,65 2.247,66 2.432,67 3.855,68 6.725,69 13.628,70 4.177,71 5.973,72 69,73 4.055,74 4.055,75 7.909,76 3.471,77 4.978,78 5.668,79 4,80 12,81 12,82 3.692,83 3.692,84 0.152,85 2.481,86 2.776,87 1.912,88 8.067,89 8.287,90 5.602,91 4.361,92 14.072,93 3.1,94 3.1,95 0.093,96 2.475,97 4.078,98 3.565,99 3.74,100 3.92,101 10.497,102 798805,103 4.868,104 3.686,105 4.518,106 4.518,107 4.192,108 2.027,109 8.127,110 10.869,111 8.26,112 9.482,113 9.257,114 1.599,115 29.512,116 35,117 5.17,118 169376,121 3.805,122 2.995,123 90641,124 1.886,125 4.084,126 4.084,127 3.232,128 4.248,130 3.834,131 3.834,132 0.517,133 3.372,134 2.442,135 2.945,136 6.939,137 6.939,138 2.442,140 5.4}
{0 CHEMBL2001957,2 1.056,3 3.776,4 4.451,5 1.431,6 3.56,7 1.129,8 1.129,9 4.039,10 4.039,11 1.264,12 6.99,13 6.99,15 2.266,16 1.552,19 2.678,20 2.678,21 1,22 1,23 3.414,24 3.675,25 9.241,26 3.335,27 2.606,28 3.467,29 2.656,30 2.656,31 2.366,32 2.366,33 639.43,34 3.561,35 4.179,36 0.079,37 926.61,38 2.068,39 3.621,40 3.548,41 3.548,42 4.044,43 3.083,45 9.974,46 9.974,48 3.739,49 618.64,50 3.645,51 579,52 4.419,53 1.844,54 3.261,55 5.011,56 2.459,57 5.642,58 5.642,59 6.438,60 3.102,61 3.102,62 0.838,63 0.563,64 1.847,65 1.847,66 2.169,67 3.683,68 6.463,69 8.007,70 4.078,71 5.41,72 45,73 3.667,74 3.667,75 7.507,76 3.287,77 4.557,78 5.244,79 1,80 2,81 4,82 3.155,83 3.155,84 0.304,85 1.5,86 2,87 1.784,88 7.75,89 7.864,90 5.144,91 4.161,92 8.614,93 3.179,94 3.179,95 0.198,96 1.462,97 4.169,98 3.233,99 3.317,100 3.9,101 8.16,102 38664,103 5.149,104 3.488,105 2.275,106 2.275,107 3.837,108 1.974,109 7.784,110 10.57,111 8.513,112 9.163,113 8.862,114 0.042,115 20.246,116 22,117 4.524,118 59711,121 3.58,122 2.276,123 30663,124 1.731,125 3.792,126 3.792,127 2.5,128 3.585,130 3.242,131 3.242,132 0.646,133 3.07,134 2.137,135 2.83,136 6.013,137 6.013,138 2.137,140 5.1}
{0 CHEMBL2001987,2 0.197,3 3.507,4 3.623,5 1.16,6 3.235,7 0.227,8 0.227,9 2.826,10 2.826,11 0.851,12 5.17,13 5.17,15 1.775,16 1.549,19 0.51,20 0.51,21 3,22 0.031,23 2.533,24 3.38,25 6.32,26 2.361,27 1.55,28 2.73,29 2.134,30 2.134,31 1.938,32 1.938,33 539.092,34 2.755,35 3.415,36 0.137,37 768.53,38 1.121,39 3.362,40 2.535,41 2.535,42 3.515,43 2.62,45 7.723,46 7.723,48 3.371,49 510.61,50 3.009,51 479,52 3.705,53 1.6,54 2.963,55 4.318,56 1.959,57 3.845,58 3.845,59 6.164,60 2.617,61 2.617,62 0.991,63 0.611,64 1.386,65 1.386,66 1.845,67 3.392,68 6.12,69 4.925,70 3.749,71 4.756,72 36,73 3.269,74 3.269,75 7.268,76 2.902,77 4.304,78 4.99,79 1,80 4,81 2,82 2.867,83 2.867,84 0.349,85 0.041,86 0.942,87 1.473,88 7.433,89 7.54,90 4.885,91 3.908,92 6.248,93 3.21,94 3.21,95 0.223,96 1.189,97 4.166,98 3.042,99 3.019,100 3.557,101 7.191,102 12823,103 7.431,104 2.902,105 -0.679,106 -0.679,107 3.537,108 1.646,109 7.507,110 10.292,111 8.513,112 8.885,113 8.576,114 -0.556,115 14.862,116 18,117 4.248,118 36635,121 3.264,122 1.171,123 16553,124 1.433,125 3.869,126 3.869,127 1.253,128 3.392,130 3.124,131 3.124,132 0.615,133 2.46,134 1.528,135 2.045,136 4.303,137 4.303,138 1.528,140 5.9}
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{0 CHEMBL2002099,2 0.618,3 3.661,4 3.475,5 0.945,6 3.202,7 0.618,8 0.618,9 2.201,10 2.201,11 0.737,12 3.65,13 3.65,15 1.287,16 1.596,17 1,18 3.103,19 1.372,20 1.372,22 0.42,23 2.429,24 3.603,25 7.808,26 2.188,27 1.922,28 2.786,29 1.661,30 1.661,31 1.548,32 1.548,33 343.124,34 3,35 3.265,36 0.089,37 506.56,38 1.618,39 3.382,40 1.733,41 1.733,42 3.369,43 2.077,45 7.9,46 7.9,47 1,48 3.048,49 347.666,50 3.122,51 328,52 3.312,53 1.035,54 3.035,55 3.404,56 1.5,57 2.231,58 2.231,59 6.03,60 2.526,61 2.526,62 1.025,63 0.606,64 1.09,65 1.09,66 1.438,67 3.616,68 5.889,69 5.501,70 3.452,71 4.13,72 30.5,73 3.076,74 3.076,75 7.063,76 2.479,77 4.167,78 4.852,82 2.322,83 2.322,84 0.326,85 0.618,86 1.389,87 1.577,88 7.231,89 7.478,90 4.804,91 3.822,92 5.501,93 2.991,94 2.991,95 0.213,96 1,97 3.961,98 2.871,99 3.067,100 3.498,101 7.188,102 11900,103 3.92,104 2.878,105 0.628,106 0.628,107 3.419,108 1.793,109 7.332,110 10.056,111 6.818,112 8.675,113 8.389,114 1.817,115 13.317,116 16,117 4.087,118 13930,121 3.275,122 1.618,123 8528,124 1.507,125 3.803,126 3.803,127 1.735,128 3.392,130 2.582,131 2.582,132 0.43,133 2.216,134 1.255,135 1.857,136 3.132,137 3.132,138 1.255,139 1,140 6.7}
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{0 CHEMBL2002165,2 1.288,3 3.879,4 4.139,5 1.687,6 3.459,7 1.34,8 1.34,9 4.755,10 4.755,11 1.417,12 6.9,13 6.9,15 2.337,16 1.533,17 1,19 3.862,20 3.862,21 3,22 1.166,23 3.479,24 3.803,25 12.289,26 3.414,27 2.732,28 3.589,29 2.461,30 2.461,31 2.294,32 2.294,33 587.921,34 3.981,35 4.084,36 0.041,37 884.23,38 2.306,39 3.796,40 4.549,41 4.549,42 3.778,43 2.941,45 7.955,46 7.955,48 3.606,49 606.177,50 4.318,51 570,52 4.58,53 2.169,54 3.366,55 4.901,56 2.561,57 5.514,58 5.514,59 6.485,60 2.737,61 2.737,62 0.892,63 0.366,64 1.995,65 1.995,66 2.202,67 3.807,68 6.347,69 9.683,70 4.018,71 5.377,72 50.25,73 3.671,74 3.671,75 7.609,76 3.257,77 4.668,78 5.357,79 2,80 4,81 8,82 3.173,83 3.173,84 0.225,85 1.728,86 2.171,87 1.844,88 7.687,89 7.899,90 5.288,91 4.09,92 8.946,93 2.887,94 2.887,95 0.14,96 1.865,97 3.869,98 3.379,99 3.358,100 3.7,101 8.637,102 81258,103 4.773,104 3.465,105 2.586,106 2.586,107 3.905,108 1.937,109 7.801,110 10.538,111 8.201,112 9.154,113 8.853,114 1.844,115 20.692,116 28,117 4.858,118 66752,121 3.522,122 2.552,123 36034,124 1.825,125 3.89,126 3.89,127 2.658,128 3.954,129 31.278,130 3.63,131 3.63,132 0.723,133 3.048,134 2.093,135 2.773,136 5.71,137 5.71,138 2.093,140 5.1}
{0 CHEMBL2002202,2 -0.817,3 3.425,4 3.06,5 -0.089,6 2.835,7 -0.823,8 -0.823,9 -0.269,10 -0.269,11 -0.621,12 3.155,13 3.155,15 -0.15,16 1.581,19 -2.499,20 -2.499,21 1,22 -0.971,23 1.544,24 3.204,25 5.401,26 1.281,27 0.634,28 1.795,29 1.491,30 1.491,31 1.181,32 1.181,33 253.189,34 2,35 2.467,36 0.057,37 395.05,38 0.174,39 3.128,40 -1.213,41 -1.213,42 2.894,43 1.594,44 0.002,45 6.09,46 6.09,48 2.599,49 270.09,50 2,51 255,52 2.64,53 -0.708,54 2.735,55 3.224,56 0.82,57 1.574,58 1.574,59 5.738,60 2.286,61 2.286,62 0.854,63 0.797,64 0.671,65 0.671,66 1.145,67 3.215,68 5.602,69 4.477,70 3.296,71 4.009,72 24,73 3.067,74 3.067,75 6.79,76 2.159,77 3.912,78 4.595,79 2,80 5,81 7,82 2.052,83 2.052,84 0.416,85 -1.402,87 1.36,88 6.94,89 7.141,90 4.505,91 3.665,92 4.263,93 2.76,94 2.76,95 0.275,96 0.237,97 3.751,98 2.687,99 2.715,100 3.192,101 6.436,102 4411,103 3.674,104 2.5,105 -3,106 -3,107 3.156,108 1.625,109 7.049,110 9.772,111 7.429,112 8.396,113 8.123,115 9.661,116 13,117 3.807,118 7745,121 2.854,122 0.22,123 4266,124 1.301,125 3.679,126 3.679,127 0.5,128 3,130 2.516,131 2.516,132 0.528,133 2,134 1,135 1.5,136 2.275,137 2.275,138 1,140 4.3}
{0 CHEMBL2002240,2 -0.102,3 3.475,4 3.589,5 0.807,6 3.105,7 -0.109,8 -0.109,9 1.787,10 1.787,11 0.657,12 4.49,13 4.49,15 1.361,16 1.637,19 -0.205,20 -0.205,21 1,22 -0.323,23 2.179,24 3.383,25 7.183,26 2,27 1.488,28 2.439,29 1.844,30 1.844,31 1.618,32 1.618,33 354.96,34 2.531,35 3.236,36 0.081,37 528.17,38 0.838,39 3.336,40 1.427,41 1.427,42 3.387,43 2.427,45 7.379,46 7.379,48 3.118,49 366.254,50 2.732,51 344,52 3.442,53 0.962,54 2.98,55 3.624,56 1.956,57 2.973,58 2.973,59 6.097,60 2.448,61 2.448,62 0.881,63 0.751,64 1.336,65 1.336,66 1.618,67 3.386,68 5.861,69 5.65,70 3.693,71 4.442,72 35.75,73 3.164,74 3.164,75 7.212,76 2.618,77 4.248,78 4.934,79 2,80 3,81 7,82 2.49,83 2.49,84 0.39,85 -0.453,86 0.646,87 1.486,88 7.203,89 7.403,90 4.879,91 3.779,92 5.65,93 2.863,94 2.863,95 0.258,96 0.869,97 3.857,98 2.943,99 2.993,100 3.421,101 7.018,102 9295,103 4.275,104 3.116,105 -0.897,106 -0.897,107 3.352,108 1.709,109 7.418,110 10.156,111 7.43,112 8.773,113 8.405,114 2.139,115 12.483,116 19,117 4.322,118 15166,121 3.147,122 0.944,123 8764,124 1.443,125 4.142,126 4.142,127 1.093,128 3.644,130 2.996,131 2.996,132 0.635,133 2.529,134 1.549,135 2.244,136 4.117,137 4.117,138 1.549,140 5.1}
{0 CHEMBL2002322,2 0.415,3 3.511,4 4.307,5 1.157,6 3.231,7 0.472,8 0.472,9 3.4,10 3.4,11 0.51,12 5.56,13 5.56,15 1.698,16 1.553,19 1.307,20 1.307,22 -0.383,23 2.601,24 3.32,25 7.205,26 2.29,27 1.957,28 2.816,29 2.297,30 2.297,31 1.822,32 1.822,33 547.337,34 2.861,35 4.017,36 0.137,37 822.01,38 1.371,39 3.475,40 2.458,41 2.458,42 3.683,43 2.42,45 10.957,46 10.957,48 3.197,49 533.69,50 3.268,51 498,52 4.007,53 1.466,54 2.98,55 4.377,56 1.85,57 3.92,58 3.92,59 6.238,60 3.166,61 3.166,62 0.723,63 0.791,64 1.304,65 1.304,66 1.604,67 3.328,68 6.301,69 5.746,70 4.01,71 4.915,72 32,73 3.425,74 3.425,75 7.324,76 2.731,77 4.327,78 5.014,79 1,80 3,81 3,82 3.026,83 3.026,84 0.401,85 -0.556,86 0.553,87 1.535,88 7.599,89 7.646,90 4.937,91 4.292,92 6.403,93 3.23,94 3.23,95 0.267,96 1.294,97 4.111,98 3.076,99 2.996,100 4.059,101 7.299,102 12617,103 7.999,104 2.997,105 -2,106 -2,107 3.621,108 1.68,109 7.613,110 10.452,111 8.518,112 9.02,113 8.674,114 0.716,115 15.159,116 17,117 4.17,118 34963,121 3.189,122 0.756,123 15283,124 1.538,125 4.05,126 4.05,127 1.023,128 3.322,129 31.278,130 3.417,131 3.417,132 0.677,133 2.447,134 1.494,135 2.214,136 4.139,137 4.139,138 1.494,140 5.1}
{0 CHEMBL2002323,2 -0.728,3 3.277,4 3.092,5 0.109,6 2.86,7 -0.758,8 -0.758,9 0.266,10 0.266,11 -0.415,12 3.45,13 3.45,15 0.147,16 1.557,19 -2.065,20 -2.065,21 1,22 -0.84,23 1.639,24 3.18,25 5.386,26 1.326,27 0.656,28 2,29 1.828,30 1.828,31 1.285,32 1.285,33 318.514,34 2,35 2.263,37 463,38 0.209,39 3.031,40 -0.972,41 -0.972,42 3.249,43 1.879,44 0.001,45 6.183,46 6.183,48 2.759,49 317.674,50 2.265,51 298,52 2.756,53 -0.513,54 2.83,55 3.226,56 0.95,57 1.563,58 1.563,59 5.849,60 2.235,61 2.235,62 0.812,63 0.843,64 0.663,65 0.663,66 1.224,67 3.201,68 5.7,69 4.266,70 3.348,71 4.102,72 26.25,73 3.058,74 3.058,75 7.089,76 2.239,77 4.073,78 4.758,79 1,80 3,81 3,82 2.55,83 2.55,84 0.424,85 -1.196,86 0.101,87 1.283,88 7.048,89 7.233,90 4.735,91 3.626,92 4.719,93 2.906,94 2.906,95 0.284,96 -0.267,97 3.855,98 2.555,99 2.826,100 3.229,101 6.554,102 5082,103 3.745,104 2.577,105 -2.738,106 -2.738,107 3.174,108 1.566,109 7.185,110 9.962,111 8.201,112 8.558,113 8.221,114 0.643,115 10.291,116 16,117 4.087,118 8140,121 2.967,122 0.218,123 4664,124 1.199,125 3.989,126 3.989,127 0.597,128 3.17,130 2.676,131 2.676,132 0.654,133 2.068,134 1.093,135 1.615,136 2.899,137 2.899,138 1.093,140 5.1}
{0 CHEMBL2002346,2 0.567,3 3.723,4 3.441,5 1,6 3.108,7 0.604,8 0.604,9 2.431,10 2.431,11 0.789,12 3.516,13 3.516,14 1,15 1.5,16 1.487,18 3.172,19 1.411,20 1.411,22 0.452,23 2.296,24 3.605,25 7.295,26 2,27 1.972,28 2.411,29 1.565,30 1.565,31 1.544,32 1.544,33 350.056,34 3.053,35 3.074,36 0.025,37 522.17,38 1.545,39 3.276,40 2.136,41 2.136,42 3.047,43 2.219,45 7.047,46 7.047,47 1,48 3.002,49 358.999,50 3.107,51 339,52 3.477,53 1.5,54 3.051,55 3.569,56 1.77,57 2.716,58 2.716,59 6.022,60 2.493,61 2.493,62 0.94,63 0.517,64 1.209,65 1.209,66 1.487,67 3.629,68 5.802,69 5.912,70 3.531,71 4.024,72 36,73 3.441,74 3.441,75 7.195,76 2.508,77 4.266,78 4.952,79 1,80 1,81 5,82 2.32,83 2.32,84 0.299,85 0.694,86 1.422,87 1.735,88 7.124,89 7.387,90 4.906,91 3.889,92 5.912,93 2.654,94 2.654,95 0.19,96 1,97 3.608,98 2.798,99 3.052,100 3.478,101 7.274,102 14736,103 3.917,104 2.901,105 -0.978,106 -0.978,107 3.4,108 1.899,109 7.311,110 10.013,111 5.106,112 8.644,113 8.347,114 1.917,115 13.384,116 22,117 4.524,118 15933,121 3.241,122 0.938,123 9443,124 1.686,125 3.68,126 3.68,127 1.821,128 3.585,130 2.899,131 2.899,132 0.854,133 2.418,134 1.453,135 2.071,136 3.137,137 3.137,138 1.453,139 1,140 7.2}
{0 CHEMBL2002373,2 0.225,3 3.626,4 3.557,5 0.983,6 2.802,7 0.25,8 0.25,9 2.136,10 2.136,11 0.536,12 2.784,13 2.784,15 1.348,16 1.474,19 0.419,20 0.419,22 -0.403,23 2,24 3.544,25 6.31,26 1.555,27 1.36,28 2.16,29 1.503,30 1.503,31 1.385,32 1.385,33 287.262,34 2.24,35 2.926,37 429.14,38 1.16,39 3.336,40 2.038,41 2.038,42 2.925,43 1.675,44 0.001,45 6.383,46 6.383,48 2.634,49 294.444,50 2.641,51 278,52 3.247,53 1.18,54 2.76,55 3.392,56 1.5,57 2.136,58 2.136,59 5.83,60 2.244,61 2.244,62 0.958,63 0.809,64 1,65 1,66 1.297,67 3.556,68 5.652,69 5.164,70 3.145,71 3.526,72 29.5,73 3.162,74 3.162,75 6.901,76 2.326,77 4.047,78 4.732,79 1,80 1,81 5,82 2.102,83 2.102,84 0.403,85 -0.507,86 0.533,87 1.648,88 6.986,89 7.261,90 4.672,91 3.656,92 5.164,93 2.545,94 2.545,95 0.27,96 0.793,97 3.532,98 2.687,99 2.759,100 3.197,101 6.633,102 5533,103 3.767,104 2.5,105 -1.721,106 -1.721,107 3.294,108 1.863,109 7.108,110 9.805,111 6.456,112 8.435,113 8.188,115 11.804,116 17,117 4.17,118 10407,121 2.95,122 0.674,123 6416,124 1.583,125 3.489,126 3.489,127 0.869,128 3.248,130 2.378,131 2.378,132 0.925,133 2.008,134 1.056,135 1.5,136 2.358,137 2.358,138 1.056,140 5.1}
{0 CHEMBL2002407,2 -0.093,3 3.406,4 3.346,5 0.413,6 3.047,7 -0.103,8 -0.103,9 0.671,10 0.671,11 0.455,12 3.673,13 3.673,15 0.685,16 1.715,18 2.567,19 -0.168,20 -0.168,21 2,22 -0.482,23 1.908,24 3.296,25 5.964,26 1.478,27 1.237,28 2,29 1.531,30 1.531,31 1.414,32 1.414,33 351.689,34 2.222,35 3.122,36 0.092,37 514.04,38 0.816,39 3.063,40 0.558,41 0.558,42 3.351,43 2.021,45 7.482,46 7.482,48 3.112,49 361.183,50 2.355,51 335,52 2.834,53 0.545,54 2.776,55 2.965,56 0.846,57 0.991,58 0.991,59 5.997,60 2.432,61 2.432,62 0.75,63 0.872,64 0.555,65 0.555,66 1.344,67 3.318,68 5.72,69 4.257,70 3.465,71 4.204,72 32,73 3.263,74 3.263,75 6.972,76 2.367,77 4.056,78 4.741,79 1,80 3,81 3,82 2.055,83 2.055,84 0.468,85 -0.692,86 0.411,87 1.404,88 7.071,89 7.236,90 4.697,91 3.924,92 4.257,93 2.863,94 2.863,95 0.306,96 0.941,97 3.823,98 2.88,99 2.835,100 3.403,101 6.275,102 3446,103 4.625,104 2.884,105 -1.78,106 -1.78,107 3.265,108 1.642,109 7.318,110 10.06,111 6.825,112 8.675,113 8.199,115 11.045,116 14,117 3.907,118 14530,121 3.067,122 0.593,123 7771,124 1.353,125 3.906,126 3.906,127 0.87,128 3.524,130 2.672,131 2.672,132 0.78,133 2.18,134 1.227,135 1.839,136 3.047,137 3.047,138 1.227,139 1,140 5.1}
{0 CHEMBL2002432,2 -0.091,3 3.727,4 3.447,5 0.997,6 2.885,7 -0.102,8 -0.102,9 2.136,10 2.136,11 0.044,12 4.038,13 4.038,15 1.5,16 1.457,17 1,19 -0.274,20 -0.274,22 -0.147,23 1.845,24 3.596,25 7.16,26 1.675,27 1.196,28 2.255,29 1.797,30 1.797,31 1.616,32 1.616,33 331.715,34 2.519,35 3.203,36 0.017,37 513.99,38 0.808,39 3.426,40 1.656,41 1.656,42 3.101,43 2.007,45 7,46 7,48 2.941,49 353.797,50 2.834,51 333,52 3.265,53 1.007,54 2.772,55 3.469,56 1.54,57 2.539,58 2.539,59 5.884,60 2.411,61 2.411,62 0.914,63 0.575,64 1.057,65 1.057,66 1.527,67 3.556,68 5.68,69 5.336,70 3.415,71 4.273,72 31.5,73 3.25,74 3.25,75 6.887,76 2.568,77 4.082,78 4.766,79 1,80 1,81 5,82 2.312,83 2.312,84 0.339,85 -0.183,86 0.751,87 1.597,88 6.989,89 7.226,90 4.614,91 3.748,92 4.692,93 2.727,94 2.727,95 0.214,96 0.678,97 3.654,98 2.714,99 2.787,100 3.327,101 6.792,102 7719,103 3.799,104 2.653,105 -1.55,106 -1.55,107 3.449,108 1.815,109 7.154,110 9.79,111 5.033,112 8.457,113 8.178,115 12.821,116 17,117 4.17,118 13456,121 2.975,122 0.743,123 8398,124 1.527,125 3.677,126 3.677,127 1.039,128 3.248,129 31.278,130 2.66,131 2.66,132 0.982,133 2.143,134 1.195,135 1.718,136 2.659,137 2.659,138 1.195,140 5.9}
{0 CHEMBL2002446,2 1.082,3 3.779,4 3.969,5 1.676,6 3.585,7 1.117,8 1.117,9 5.046,10 5.046,11 1.517,12 6.568,13 6.568,15 2.021,16 1.525,18 3.315,19 2.937,20 2.937,22 0.991,23 3.289,24 3.795,25 11.214,26 3.179,27 2.55,28 3.414,29 2.475,30 2.475,31 2.267,32 2.267,33 445.361,34 3.715,35 3.949,36 0.037,37 698.2,38 2.088,39 3.738,40 3.424,41 3.424,42 3.658,43 2.639,45 7.852,46 7.852,48 3.581,49 474.175,50 3.803,51 444,52 4.747,53 1.908,54 3.502,55 4.851,56 2.217,57 5.291,58 5.291,59 6.368,60 2.679,61 2.679,62 0.851,63 0.319,64 1.778,65 1.778,66 2.142,67 3.782,68 6.301,69 8.961,70 3.779,71 5.263,72 37.5,73 3.556,74 3.556,75 7.304,76 3.216,77 4.466,78 5.153,79 1,80 3,81 3,82 2.678,83 2.678,84 0.2,85 1.438,86 2.004,87 1.688,88 7.621,89 7.867,90 5.047,91 4.039,92 8.405,93 2.871,94 2.871,95 0.123,96 1.891,97 3.843,98 3.361,99 3.505,100 3.649,101 8.805,102 98805,103 4.277,104 3.403,105 2.275,106 2.275,107 3.855,108 1.775,109 7.678,110 10.397,111 5.042,112 9.021,113 8.793,115 19.777,116 17,117 4.17,118 39486,121 3.625,122 2.32,123 25295,124 1.671,125 3.914,126 3.914,127 2.455,128 3.459,129 31.278,130 2.998,131 2.998,132 0.722,133 2.928,134 1.992,135 2.495,136 5.887,137 5.887,138 1.992,139 1,140 5.1}
{0 CHEMBL2002450,2 -0.5,3 3.274,4 2.977,5 0.38,6 2.828,7 -0.531,8 -0.531,9 0.786,10 0.786,11 -0.291,12 2.275,13 2.275,15 0.511,16 1.502,19 -1.14,20 -1.14,21 2,22 -0.982,23 1.597,24 3.139,25 5.775,26 1.499,27 0.814,28 2,29 1.494,30 1.494,31 1,32 1,33 303.061,34 2.154,35 2.305,36 0.043,37 442.86,38 0.418,39 3.118,40 -0.25,41 -0.25,42 2.967,43 1.5,44 0.001,45 6.352,46 6.352,48 2.5,49 305.826,50 2.211,51 286,52 2.967,53 -0.16,54 2.803,55 3.414,56 1.088,57 1.979,58 1.979,59 5.805,60 2.29,61 2.29,62 0.777,63 0.849,64 0.838,65 0.838,66 1,67 3.162,68 5.652,69 4.57,70 3.406,71 3.578,72 26.5,73 3.095,74 3.095,75 7.044,76 2,77 4.039,78 4.723,79 2,80 6,81 6,82 2.183,83 2.183,84 0.425,85 -1.5,87 1.27,88 6.999,89 7.217,90 4.728,91 3.667,92 4.57,93 2.676,94 2.676,95 0.285,96 0.095,97 3.66,98 2.687,99 2.794,100 3.261,101 6.521,102 4779,103 3.674,104 2.5,105 -3,106 -3,107 3.175,108 1.55,109 7.128,110 9.899,111 5.288,112 8.497,113 8.191,114 1.589,115 10.055,116 16,117 4.087,118 7584,121 3.011,122 0.5,123 4515,124 1.228,125 3.694,126 3.694,127 0.5,128 3.17,130 2.771,131 2.771,132 1.005,133 1.972,134 1,135 1.5,136 2.263,137 2.263,138 1,140 4.3}
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{0 CHEMBL2002479,2 1.207,3 3.78,4 3.972,5 1.547,6 3.494,7 1.245,8 1.245,9 4.264,10 4.264,11 1.483,12 6.125,13 6.125,15 2.208,16 1.549,19 3.146,20 3.146,21 3,22 1,23 3.159,24 3.739,25 10.609,26 2.965,27 2.632,28 3.414,29 2.341,30 2.341,31 2.197,32 2.197,33 521.409,34 3.549,35 3.838,36 0.03,37 789,38 2.218,39 3.616,40 3.483,41 3.483,42 3.662,43 2.93,45 8.617,46 8.617,48 3.575,49 533.693,50 3.799,51 505,52 4.396,53 1.681,54 3.214,55 4.79,56 2.295,57 5.059,58 5.059,59 6.351,60 2.704,61 2.704,62 0.892,63 0.396,64 1.657,65 1.657,66 1.973,67 3.741,68 6.236,69 8.882,70 3.794,71 5.081,72 43.75,73 3.642,74 3.642,75 7.478,76 3.109,77 4.535,78 5.223,79 3,80 9,81 9,82 3.049,83 3.049,84 0.238,85 1.5,86 2,87 1.772,88 7.573,89 7.805,90 5.164,91 4.074,92 8.63,93 3.021,94 3.021,95 0.149,96 1.521,97 3.988,98 3.297,99 3.242,100 3.698,101 8.445,102 62237,103 4.657,104 3.241,105 2.275,106 2.275,107 3.775,108 1.901,109 7.67,110 10.413,111 7.429,112 9.025,113 8.756,114 1.35,115 18.545,116 23,117 4.585,118 46373,119 1,120 1,121 3.41,122 2.107,123 25317,124 1.749,125 4.279,126 4.279,127 2.5,128 3.7,130 3.183,131 3.183,132 0.735,133 2.805,134 1.849,135 2.503,136 5.49,137 5.49,138 1.849,140 5.1}
{0 CHEMBL2002586,2 0.925,3 3.746,4 3.95,5 1.013,6 3.488,7 1,8 1,9 2.737,10 2.737,11 1.142,12 6.015,13 6.015,15 1.65,16 1.523,17 1,19 2.139,20 2.139,21 3,22 0.723,23 2.927,24 3.735,25 9.846,26 2.581,27 2.208,28 3.064,29 2.179,30 2.179,31 1.993,32 1.993,33 421.575,34 3.247,35 3.701,36 0.028,37 665.59,38 1.952,39 3.594,40 2.612,41 2.612,42 3.481,43 2.511,45 7.664,46 7.664,48 3.335,49 447.926,50 3.43,51 424,52 3.803,53 1.271,54 3.155,55 4.031,56 1.85,57 3.514,58 3.514,59 6.144,60 2.648,61 2.648,62 0.924,63 0.439,64 1.493,65 1.493,66 1.865,67 3.719,68 6.098,69 7.662,70 3.715,71 5.11,72 34.5,73 3.163,74 3.163,75 7.204,76 2.935,77 4.301,78 4.987,79 1,80 3,81 3,82 2.775,83 2.775,84 0.256,85 1,86 1.719,87 1.624,88 7.415,89 7.649,90 4.882,91 3.793,92 6.828,93 3.015,94 3.015,95 0.162,96 1.256,97 3.944,98 3.262,99 3.16,100 3.616,101 7.711,102 24175,103 4.243,104 3.129,105 0.631,106 0.631,107 3.726,108 1.819,109 7.455,110 10.176,111 5.071,112 8.799,113 8.62,114 2.06,115 16.736,116 16,117 4.087,118 26144,121 3.319,122 1.4,123 14873,124 1.573,125 3.939,126 3.939,127 2,128 3.17,129 31.278,130 2.935,131 2.935,132 0.727,133 2.77,134 1.859,135 2.24,136 5.245,137 5.245,138 1.859,140 5.9}
{0 CHEMBL2002599,2 0.915,3 3.789,4 3.826,5 1.321,6 3.297,7 1,8 1,9 3.357,10 3.357,11 1.262,12 5.061,13 5.061,15 1.61,16 1.544,19 2.286,20 2.286,21 2,22 0.901,23 2.887,24 3.638,25 9.413,26 2.826,27 2.414,28 3.247,29 2.207,30 2.207,31 1.857,32 1.857,33 437.639,34 3.386,35 3.714,36 0.052,37 647.35,38 1.917,39 3.456,40 2.995,41 2.995,42 3.579,43 2.586,45 8.149,46 8.149,48 3.317,49 442.313,50 3.421,51 416,52 4.05,53 1.5,54 3.081,55 4.359,56 1.99,57 4.113,58 4.113,59 6.172,60 2.628,61 2.628,62 0.938,63 0.446,64 1.414,65 1.414,66 1.813,67 3.669,68 6.094,69 7.428,70 3.716,71 4.706,72 39,73 3.329,74 3.329,75 7.172,76 2.839,77 4.331,78 5.017,79 1,80 3,81 3,82 2.815,83 2.815,84 0.256,85 1.289,86 1.906,87 1.64,88 7.424,89 7.667,90 4.896,91 3.962,92 7.428,93 2.988,94 2.988,95 0.163,96 1.491,97 3.96,98 3.018,99 3.133,100 3.575,101 8.05,102 38478,103 4.149,104 2.951,105 2.127,106 2.127,107 3.634,108 1.805,109 7.465,110 10.149,111 7.431,112 8.79,113 8.621,114 1.742,115 16.666,116 18,117 4.248,118 28625,121 3.361,122 1.985,123 16242,124 1.589,125 3.479,126 3.479,127 2.352,128 3.392,130 2.974,131 2.974,132 0.583,133 2.485,134 1.542,135 2.147,136 4.125,137 4.125,138 1.542,140 5.9}
{0 CHEMBL2002613,2 1.211,3 3.884,4 4.064,5 1.476,6 3.375,7 1.237,8 1.237,9 3.998,10 3.998,11 1.355,12 6.134,13 6.134,15 2.123,16 1.534,18 2.902,19 3.004,20 3.004,21 2,22 1.05,23 3.247,24 3.842,25 10.669,26 3.238,27 2.703,28 3.281,29 2.402,30 2.402,31 2.153,32 2.153,33 570.891,34 3.576,35 3.927,36 0.028,37 835.95,38 2.221,39 3.726,40 3.486,41 3.486,42 3.75,43 2.981,45 8.974,46 8.974,48 3.57,49 578.507,50 3.907,51 540,52 4.326,53 1.922,54 3.216,55 4.969,56 2.604,57 5.818,58 5.818,59 6.42,60 2.841,61 2.841,62 0.815,63 0.387,64 1.901,65 1.901,66 2.092,67 3.85,68 6.26,69 8.721,70 3.916,71 5.11,72 49,73 3.875,74 3.875,75 7.553,76 3.127,77 4.62,78 5.308,79 3,80 7,81 11,82 3.101,83 3.101,84 0.233,85 1.568,86 2.058,87 1.885,88 7.59,89 7.819,90 5.247,91 4.228,92 8.721,93 2.926,94 2.926,95 0.146,96 1.563,97 3.909,98 3.192,99 3.247,100 3.808,101 8.504,102 69750,103 4.58,104 3.355,105 2.136,106 2.136,107 3.802,108 1.979,109 7.73,110 10.454,111 7.429,112 9.077,113 8.767,114 1.484,115 19.362,116 28,117 4.858,118 51143,121 3.437,122 2.5,123 28830,124 1.871,125 3.929,126 3.929,127 2.576,128 3.954,130 3.451,131 3.451,132 0.617,133 2.972,134 2.061,135 2.641,136 5.858,137 5.858,138 2.061,139 1,140 5.4}
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{0 CHEMBL2002682,2 1.525,3 3.952,4 4.44,5 1.618,6 3.491,7 1.618,8 1.618,9 4.031,10 4.031,11 1.7,12 6.251,13 6.251,15 2.251,16 1.512,18 3.459,19 3.717,20 3.717,21 2,22 1.421,23 3.618,24 3.832,25 13.555,26 3.56,27 2.893,28 3.769,29 2.166,30 2.166,31 2.111,32 2.111,33 580.593,34 3.808,35 4.422,36 0.023,37 884.37,38 2.573,39 3.579,40 3.822,41 3.822,42 3.519,43 2.831,45 10.194,46 10.194,47 1,48 3.494,49 598.891,50 3.9,51 567,52 4.321,53 2.068,54 3.436,55 4.66,56 2.427,57 4.425,58 4.425,59 6.544,60 3.028,61 3.028,62 0.935,63 0.382,64 1.879,65 1.879,66 2.017,67 3.826,68 6.422,69 10.825,70 3.905,71 5.203,72 52.75,73 4.066,74 4.066,75 7.7,76 3.075,77 4.738,78 5.427,79 4,80 9,81 13,82 2.908,83 2.908,84 0.226,85 1.905,86 2.459,87 1.824,88 7.766,89 8.008,90 5.394,91 4.394,92 10.599,93 3.034,94 3.034,95 0.142,96 1.762,97 4.014,98 3.445,99 3.442,100 4.009,101 8.788,102 98488,103 4.649,104 3.232,105 3.042,106 3.042,107 4.032,108 1.932,109 7.851,110 10.603,111 7.429,112 9.206,113 8.963,114 4.123,115 24.29,116 28,117 4.858,118 83919,119 1,120 1,121 3.601,122 2.708,123 50261,124 1.8,125 4.43,126 4.43,127 2.773,128 3.954,130 3.367,131 3.367,132 0.75,133 2.793,134 1.901,135 2.481,136 5.104,137 5.104,138 1.901,139 1,140 5.1}
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{0 CHEMBL2002723,2 -0.387,3 3.454,4 3.049,5 0.447,6 2.806,7 -0.419,8 -0.419,9 1.181,10 1.181,11 0.111,12 4.291,13 4.291,15 0.686,16 1.535,19 -1.069,20 -1.069,21 2,22 -0.725,23 2,24 3.301,25 5.981,26 1.565,27 0.942,28 2,29 1.889,30 1.889,31 1.53,32 1.53,33 358.067,34 2.282,35 2.828,36 0.087,37 519.2,38 0.508,39 3.268,40 -0.038,41 -0.038,42 3.322,43 2.291,45 7.161,46 7.161,48 3.029,49 358.362,50 2.383,51 337,52 3.159,53 -0.019,54 2.735,55 3.414,56 1.5,57 2.275,58 2.275,59 5.916,60 2.458,61 2.458,62 0.938,63 0.642,64 1,65 1,66 1.451,67 3.327,68 5.714,69 4.828,70 3.517,71 4.399,72 29.75,73 3.186,74 3.186,75 7.074,76 2.481,77 4.123,78 4.808,79 1,80 2,81 4,82 2.529,83 2.529,84 0.367,85 -0.93,86 0.225,87 1.456,88 7.041,89 7.248,90 4.715,91 3.787,92 4.828,93 2.704,94 2.704,95 0.234,96 0.496,97 3.673,98 2.702,99 2.725,100 3.425,101 6.775,102 6941,103 3.96,104 2.715,105 -2,106 -2,107 3.275,108 1.711,109 7.231,110 9.955,111 7.43,112 8.58,113 8.217,114 1.168,115 11.247,116 17,117 4.17,118 12418,121 2.934,122 0.581,123 6974,124 1.402,125 3.728,126 3.728,127 0.672,128 3.322,130 2.859,131 2.859,132 0.763,133 2.233,134 1.243,135 1.807,136 3.605,137 3.605,138 1.243,140 5.9}
{0 CHEMBL2002726,2 1,3 3.794,4 3.667,5 1.181,6 3.299,7 1,8 1,9 3.019,10 3.019,11 1,12 5.404,13 5.404,15 1.795,16 1.497,17 1,18 3.015,19 2.136,20 2.136,21 1,22 0.645,23 2.629,24 3.716,25 8.13,26 2.514,27 2.5,28 3.098,29 2.084,30 2.084,31 1.878,32 1.878,33 381.652,34 3.223,35 3.467,36 0.029,37 565.42,38 2,39 3.448,40 2.546,41 2.546,42 3.314,43 2.357,45 7.41,46 7.41,48 3.253,49 391.422,50 3.247,51 368,52 3.586,53 1.605,54 3.254,55 4.01,56 1.922,57 3.18,58 3.18,59 6.147,60 2.626,61 2.626,62 0.945,63 0.44,64 1.405,65 1.405,66 1.818,67 3.731,68 5.969,69 6.568,70 3.686,71 4.792,72 37.25,73 3.455,74 3.455,75 7.273,76 2.848,77 4.36,78 5.047,79 2,80 4,81 8,82 2.648,83 2.648,84 0.269,85 0.939,86 1.642,87 1.735,88 7.292,89 7.52,90 4.967,91 3.927,92 6.568,93 2.802,94 2.802,95 0.167,96 1.111,97 3.779,98 2.932,99 3.255,100 3.615,101 7.525,102 20952,103 4.296,104 2.968,105 1.347,106 1.347,107 3.548,108 1.866,109 7.44,110 10.136,111 5.096,112 8.772,113 8.488,114 2.076,115 15.279,116 22,117 4.524,118 24084,119 1,120 1,121 3.401,122 1.715,123 14739,124 1.707,125 3.816,126 3.816,127 2.111,128 3.585,130 3.098,131 3.098,132 1.072,133 2.481,134 1.521,135 2.167,136 4.156,137 4.156,138 1.521,139 1,140 7.7}
{0 CHEMBL2002992,2 -0.173,3 3.47,4 3.319,5 0.962,6 3.082,7 -0.18,8 -0.18,9 2.232,10 2.232,11 0.291,12 3.561,13 3.561,15 1,16 1.542,17 1,18 3.055,19 -0.45,20 -0.45,21 1,22 -0.535,23 1.937,24 3.391,25 6.244,26 1.749,27 1.213,28 2,29 1.548,30 1.548,31 1.511,32 1.511,33 268.96,34 2.3,35 2.961,36 0.083,37 397.39,38 0.784,39 3.281,40 1.506,41 1.506,42 3.048,43 1.694,44 0.001,45 7.986,46 7.986,47 1,48 2.719,49 272.754,50 2.634,51 258,52 3.406,53 0.844,54 2.976,55 3.414,56 1.118,57 2.275,58 2.275,59 5.819,60 2.596,61 2.596,62 1.116,63 0.638,64 1,65 1,66 1.469,67 3.398,68 5.759,69 4.558,70 3.423,71 4.042,72 23.5,73 2.807,74 2.807,75 6.804,76 2.497,77 3.956,78 4.64,82 2.321,83 2.321,84 0.363,85 -0.586,86 0.486,87 1.529,88 7.099,89 7.287,90 4.512,91 3.686,92 4.558,93 2.847,94 2.847,95 0.232,96 0.859,97 3.844,98 2.866,99 2.991,100 3.59,101 6.712,102 6742,103 4.036,104 2.5,105 -2,106 -2,107 3.311,108 1.763,109 7.114,110 9.812,111 7.428,112 8.445,113 8.267,114 1.753,115 11.6,116 11,117 3.585,118 9851,119 1,120 1,121 3.216,122 0.508,123 6588,124 1.465,125 3.166,126 3.166,127 0.634,128 2.807,130 2.657,131 2.657,132 0.722,133 2.039,134 1.053,135 1.5,136 2.642,137 2.642,138 1.053,139 1,140 7.1}
{0 CHEMBL2003229,2 -0.567,3 3.396,4 3.196,5 0.654,6 2.791,7 -0.591,8 -0.591,9 1.675,10 1.675,11 -0.511,12 3.212,13 3.212,15 0.924,16 1.521,18 2.976,19 -1.642,20 -1.642,21 1,22 -0.748,23 1.592,24 3.26,25 6.072,26 1.555,27 0.825,28 1.925,29 1.65,30 1.65,31 1.292,32 1.292,33 292.522,34 2,35 2.364,36 0.038,37 437.59,38 0.376,39 3.184,40 -0.933,41 -0.933,42 3.062,43 1.644,44 0.001,45 7.278,46 7.278,48 2.61,49 302.532,50 2.531,51 282,52 3.247,53 -0.455,54 2.735,55 3.357,56 1.5,57 2.136,58 2.136,59 5.861,60 2.408,61 2.408,62 0.686,63 0.877,64 1,65 1,66 1.218,67 3.279,68 5.733,69 5.04,70 3.404,71 4.104,72 27.5,73 3.016,74 3.016,75 7.068,76 2.237,77 4.073,78 4.758,79 1,80 4,81 2,82 2.274,83 2.274,84 0.429,85 -1,86 0.189,87 1.43,88 7.086,89 7.29,90 4.755,91 3.67,92 5.04,93 2.752,94 2.752,95 0.29,96 -0.246,97 3.744,98 2.687,99 2.715,100 3.342,101 6.619,102 5321,103 3.674,104 2.555,105 -2,106 -2,107 3.219,108 1.706,109 7.185,110 9.957,111 5.246,112 8.554,113 8.26,114 1.901,115 10.767,116 16,117 4.087,118 7663,121 2.949,122 0.5,123 4786,124 1.34,125 3.72,126 3.72,127 0.624,128 3.17,130 2.815,131 2.815,132 1.143,133 2.037,134 1.074,135 1.579,136 2.662,137 2.662,138 1.074,139 1,140 6.3}
{0 CHEMBL2003271,2 0.11,3 3.91,4 4.148,5 1,6 3.402,7 0.19,8 0.19,9 2.275,10 2.275,11 0.857,12 5.663,13 5.663,15 1.5,16 1.633,19 0.423,20 0.423,21 4,22 -0.082,23 2.254,24 3.453,25 8.795,26 2,27 1.465,28 2.424,29 2.14,30 2.14,31 1.898,32 1.898,33 410.702,34 2.787,35 3.658,36 0.041,37 683.5,38 0.915,39 3.508,40 2.169,41 2.169,42 3.55,43 2.625,45 8.482,46 8.482,48 3.317,49 462.711,50 2.847,51 435,52 3.637,53 1.179,54 2.92,55 4.006,56 1.659,57 3.015,58 3.015,59 6.118,60 2.675,61 2.675,62 0.741,63 0.755,64 1.164,65 1.164,66 1.701,67 3.431,68 5.994,69 7.699,70 3.659,71 4.997,72 32.5,73 3.544,74 3.544,75 7.283,76 2.826,77 4.287,78 4.973,79 2,80 6,81 6,82 2.913,83 2.913,84 0.392,85 -0.132,86 0.765,87 1.561,88 7.356,89 7.52,90 4.921,91 4.041,92 5.943,93 2.813,94 2.813,95 0.259,96 1,97 3.802,98 3.272,99 2.91,100 3.6,101 7.036,102 9417,103 4.527,104 2.873,105 -0.758,106 -0.758,107 3.642,108 1.7,109 7.461,110 10.25,111 7.438,112 8.841,113 8.497,114 1.19,115 13.806,116 18,117 4.248,118 25064,121 3.077,122 1.11,123 11838,124 1.561,125 3.759,126 3.759,127 1.161,128 3.459,129 31.278,130 3.021,131 3.021,132 0.649,133 2.397,134 1.465,135 1.958,136 3.971,137 3.971,138 1.465,140 5.5}
{0 CHEMBL2003286,2 -0.775,3 3.146,4 3.158,5 -0.342,6 2.941,7 -0.82,8 -0.82,9 -0.883,10 -0.883,11 0.079,12 3.509,13 3.509,15 -0.483,16 1.68,19 -2.131,20 -2.131,21 2,22 -0.951,23 1.187,24 3.004,25 5.493,26 1.033,27 0.585,28 1.307,29 1.531,30 1.531,31 1.265,32 1.265,33 294.845,34 1.682,35 2.626,36 0.241,37 455.01,38 0.143,39 3.015,40 -1.375,41 -1.375,42 2.885,43 1.676,44 0.001,45 6.508,46 6.508,48 2.754,49 313.171,50 2,51 291,52 2.278,53 -0.869,54 2.629,55 2.84,56 0.151,57 0.279,58 0.279,59 5.664,60 2.209,61 2.209,62 0.76,63 0.9,64 0.131,65 0.131,66 1.137,67 3.023,68 5.509,69 3.936,70 3.286,71 4.124,72 22.25,73 2.855,74 2.855,75 6.585,76 2.191,77 3.773,78 4.454,79 1,80 3,81 3,82 2.022,83 2.022,84 0.482,85 -1.263,86 -0.007,87 1.223,88 6.845,89 7.004,90 4.252,91 3.567,92 3.382,93 2.819,94 2.819,95 0.316,96 0.545,97 3.764,98 2.648,99 2.625,100 3.18,101 5.932,102 2232,103 4.067,104 1.74,105 -3.582,106 -3.582,107 3.224,108 1.525,109 6.976,110 9.685,111 7.449,112 8.318,113 7.977,115 9.368,116 9,117 3.322,118 9303,121 2.847,122 -0.037,123 4792,124 1.213,125 3.562,126 3.562,127 0.365,128 2.807,129 32.22,130 2.43,131 2.43,132 0.705,133 1.43,134 0.543,135 0.63,136 0.961,137 0.961,138 0.543,140 5.1}
{0 CHEMBL2003341,2 0.978,3 3.7,4 3.854,5 1,6 3.488,7 1,8 1,9 2.498,10 2.498,11 1,12 4.77,13 4.77,15 1.5,16 1.527,17 1,19 2.136,20 2.136,21 2,22 0.211,23 2.382,24 3.639,25 8.312,26 2.319,27 2.453,28 2.612,29 1.893,30 1.893,31 1.879,32 1.879,33 372.962,34 2.706,35 3.555,36 0.039,37 581.4,38 1.984,39 3.582,40 2.275,41 2.275,42 3.369,43 2.481,45 8.363,46 8.363,48 3.232,49 401.996,50 3.247,51 378,52 3.482,53 1.5,54 2.973,55 3.895,56 1.637,57 2.976,58 2.976,59 6.07,60 2.67,61 2.67,62 0.911,63 0.557,64 1.248,65 1.248,66 1.441,67 3.645,68 5.9,69 6.129,70 3.594,71 4.554,72 35.5,73 3.509,74 3.509,75 7.07,76 2.707,77 4.241,78 4.927,79 2,80 5,81 7,82 2.715,83 2.715,84 0.33,85 0.259,86 1.136,87 1.717,88 7.229,89 7.425,90 4.785,91 4.029,92 5.744,93 2.876,94 2.876,95 0.208,96 1.03,97 3.861,98 3.139,99 2.998,100 3.662,101 6.966,102 9476,103 4.632,104 2.921,105 -0.841,106 -0.841,107 3.573,108 1.845,109 7.36,110 10.03,111 7.429,112 8.681,113 8.418,115 14.47,116 19,117 4.322,118 28370,121 3.183,122 1.044,123 14952,124 1.683,125 3.85,126 3.85,127 1.361,128 3.459,130 2.862,131 2.862,132 0.719,133 2.454,134 1.486,135 2.042,136 4.008,137 4.008,138 1.486,140 6.7}
{0 CHEMBL2003420,2 0.864,3 3.64,4 3.593,5 0.954,6 3.394,7 0.916,8 0.916,9 2.136,10 2.136,11 1.052,12 3.182,13 3.182,15 1.5,16 1.441,19 1.957,20 1.957,22 0.573,23 2.37,24 3.631,25 5.973,26 2.063,27 1.964,28 2.697,29 1.824,30 1.824,31 1.526,32 1.526,33 342.259,34 2.957,35 3.328,36 0.057,37 488,38 1.863,39 3.536,40 2.136,41 2.136,42 2.921,43 2.082,45 5.987,46 5.987,48 2.917,49 346.382,50 3.169,51 324,52 3.247,53 1.444,54 3.217,55 3.48,56 1.5,57 2.855,58 2.855,59 5.871,60 2.308,61 2.308,62 1.169,63 0.411,64 1.378,65 1.378,66 1.458,67 3.619,68 5.58,69 4.622,70 3.629,71 3.653,72 33,73 2.817,74 2.817,75 6.609,76 2.482,77 4.025,78 4.71,82 2.083,83 2.083,84 0.295,85 0.675,86 1.555,87 1.769,88 6.851,89 7.13,90 4.35,91 3.631,92 4.622,93 2.559,94 2.559,95 0.172,96 1.063,97 3.539,98 3.162,99 3.256,100 3.287,101 6.525,102 6931,103 4.195,104 2.84,105 0.998,106 0.998,107 3.557,108 1.964,109 7.074,110 9.569,111 7.433,112 8.306,113 8.067,115 14.84,116 14,117 3.907,118 35757,121 3.493,122 1.726,123 21364,124 1.705,125 3.448,126 3.448,127 1.786,128 3.17,130 2.815,131 2.815,132 0.56,133 2.452,134 1.491,135 1.842,136 3.133,137 3.133,138 1.491,140 5.1}
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{0 CHEMBL2004118,2 0.847,3 3.59,4 3.711,5 1.001,6 3.311,7 0.887,8 0.887,9 2.607,10 2.607,11 0.968,12 5.245,13 5.245,15 1.272,16 1.508,18 3.148,19 2.109,20 2.109,21 3,22 0.301,23 2.552,24 3.483,25 8.633,26 2.326,27 2,28 2.817,29 2.084,30 2.084,31 1.862,32 1.862,33 385.175,34 2.98,35 3.501,36 0.031,37 587.96,38 1.845,39 3.42,40 2.136,41 2.136,42 3.432,43 2.24,45 7.63,46 7.63,47 1,48 3.129,49 397.046,50 3.247,51 376,52 3.503,53 1.172,54 3.068,55 3.793,56 1.654,57 2.725,58 2.725,59 6.043,60 2.527,61 2.527,62 0.868,63 0.509,64 1.151,65 1.151,66 1.68,67 3.496,68 5.958,69 6.624,70 3.512,71 4.836,72 32.5,73 3.162,74 3.162,75 7.16,76 2.78,77 4.23,78 4.916,79 1,80 3,81 3,82 2.753,83 2.753,84 0.296,85 0.375,86 1.269,87 1.629,88 7.294,89 7.52,90 4.851,91 3.793,92 6.373,93 3.014,94 3.014,95 0.187,96 1.157,97 3.945,98 3.125,99 3.095,100 3.466,101 7.424,102 16800,103 4.109,104 2.771,105 0.233,106 0.233,107 3.56,108 1.836,109 7.352,110 10.083,111 5.118,112 8.7,113 8.497,114 1.902,115 14.851,116 16,117 4.087,118 19912,121 3.294,122 1.369,123 11723,124 1.575,125 3.939,126 3.939,127 1.535,128 3.17,130 2.874,131 2.874,132 0.766,133 2.367,134 1.493,135 1.85,136 3.514,137 3.514,138 1.493,139 1,140 5.9}
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{0 CHEMBL2004159,2 0.448,3 3.68,4 3.348,5 0.983,6 3.072,7 0.47,8 0.47,9 2.275,10 2.275,11 1,12 3.643,13 3.643,15 1.5,16 1.51,19 1.05,20 1.05,21 1,22 0.361,23 2.163,24 3.597,25 6.561,26 2,27 1.761,28 2.441,29 1.896,30 1.896,31 1.478,32 1.478,33 366.914,34 2.683,35 3.264,36 0.042,37 538.26,38 1.444,39 3.306,40 2.136,41 2.136,42 3.339,43 2.04,45 7.676,46 7.676,48 2.921,49 375.111,50 3.027,51 350,52 3.414,53 1.5,54 2.952,55 3.484,56 1.547,57 2.586,58 2.586,59 5.971,60 2.641,61 2.641,62 0.856,63 0.51,64 1.069,65 1.069,66 1.418,67 3.613,68 5.746,69 5.238,70 3.416,71 4.117,72 35.75,73 3.504,74 3.504,75 6.981,76 2.443,77 4.167,78 4.852,79 1,80 2,81 4,82 2.605,83 2.605,84 0.315,85 0.473,86 1.29,87 1.679,88 7.062,89 7.287,90 4.721,91 4.014,92 5.238,93 2.726,94 2.726,95 0.195,96 1,97 3.71,98 2.881,99 2.967,100 3.626,101 6.859,102 8707,103 4.027,104 2.687,105 -0.867,106 -0.867,107 3.424,108 1.827,109 7.244,110 9.891,111 7.429,112 8.553,113 8.275,115 13.272,116 19,117 4.322,118 20812,121 3.229,122 1.044,123 11880,124 1.644,125 3.671,126 3.671,127 1.583,128 3.459,130 2.777,131 2.777,132 0.61,133 2.215,134 1.23,135 1.77,136 2.682,137 2.682,138 1.23,140 6.5}
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{0 CHEMBL2004311,2 1.145,3 3.79,4 3.805,5 1.528,6 3.273,7 1.157,8 1.157,9 3.909,10 3.909,11 1.275,12 5.772,13 5.772,15 2.114,16 1.573,19 3.017,20 3.017,21 2,22 0.746,23 2.695,24 3.764,25 9.592,26 2.481,27 2.619,28 3.024,29 2.193,30 2.193,31 1.938,32 1.938,33 420.47,34 3.319,35 3.476,36 0.052,37 631.71,38 2.15,39 3.411,40 3.702,41 3.702,42 3.562,43 2.55,45 8.099,46 8.099,48 3.301,49 434.124,50 3.899,51 407,52 4.406,53 1.939,54 3.165,55 4.553,56 2.277,57 4.62,58 4.62,59 6.263,60 2.79,61 2.79,62 0.851,63 0.458,64 1.658,65 1.658,66 1.911,67 3.765,68 6.142,69 6.923,70 3.81,71 4.981,72 40,73 3.799,74 3.799,75 7.299,76 2.927,77 4.413,78 5.1,79 3,80 9,81 9,82 2.833,83 2.833,84 0.275,85 0.895,86 1.743,87 1.783,88 7.484,89 7.674,90 4.968,91 4.171,92 6.923,93 2.86,94 2.86,95 0.172,96 1.716,97 3.853,98 3.067,99 3.185,100 3.778,101 7.705,102 24960,103 4.062,104 3.232,105 0.331,106 0.331,107 3.601,108 1.882,109 7.583,110 10.312,111 7.432,112 8.934,113 8.659,115 15.983,116 20,117 4.392,118 28884,121 3.367,122 1.415,123 17463,124 1.758,125 3.823,126 3.823,127 1.977,128 3.585,130 3.138,131 3.138,132 0.581,133 2.879,134 1.879,135 2.481,136 4.963,137 4.963,138 1.879,140 5.1}
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{0 CHEMBL2004631,2 0.978,3 3.789,4 3.734,5 1.111,6 3.282,7 1,8 1,9 2.953,10 2.953,11 1,12 5.412,13 5.412,15 1.651,16 1.529,18 2.829,19 2.136,20 2.136,22 0.651,23 2.588,24 3.797,25 8.374,26 2.481,27 2.39,28 2.949,29 2.134,30 2.134,31 1.869,32 1.869,33 402.108,34 3.228,35 3.369,36 0.018,37 597,38 1.98,39 3.526,40 2.601,41 2.601,42 3.42,43 2.535,45 8.087,46 8.087,48 3.297,49 407.509,50 3.247,51 385,52 3.845,53 1.5,54 3.158,55 4.044,56 1.906,57 3.203,58 3.203,59 6.178,60 2.555,61 2.555,62 1.002,63 0.529,64 1.317,65 1.317,66 1.783,67 3.791,68 6.089,69 6.698,70 3.726,71 4.951,72 34.5,73 3.452,74 3.452,75 7.334,76 2.825,77 4.369,78 5.056,79 2,80 4,81 8,82 2.638,83 2.638,84 0.285,85 0.946,86 1.645,87 1.53,88 7.42,89 7.656,90 5.016,91 3.915,92 6.698,93 3.043,94 3.043,95 0.186,96 1.072,97 4.018,98 2.934,99 3.179,100 3.545,101 7.545,102 18180,103 4.209,104 2.94,105 0.189,106 0.189,107 3.516,108 1.704,109 7.504,110 10.268,111 5.249,112 8.869,113 8.595,114 1.794,115 14.654,116 21,117 4.459,118 17871,121 3.368,122 1.303,123 10743,124 1.486,125 4.182,126 4.182,127 2.113,128 3.524,130 3.11,131 3.11,132 0.916,133 2.495,134 1.507,135 2.12,136 4.119,137 4.119,138 1.507,139 1,140 6.2}
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{0 CHEMBL2005718,1 1,2 0.39,3 3.918,4 3.842,5 0.988,6 3.317,7 0.426,8 0.426,9 2.556,10 2.556,11 0.496,12 4.242,13 4.242,14 1,15 1.486,16 1.554,18 3.123,19 0.996,20 0.996,22 -0.248,23 2.124,24 3.7,25 7.486,26 2,27 1.566,28 2.493,29 1.996,30 1.996,31 1.547,32 1.547,33 390.318,34 2.572,35 3.633,36 0.015,37 625.89,38 1.345,39 3.437,40 1.184,41 1.184,42 3.309,43 2.319,45 8.272,46 8.272,47 1,48 3.046,49 436.439,50 3.089,51 407,52 3.563,53 0.722,54 3.199,55 3.645,56 1.552,57 3.018,58 3.018,59 6.105,60 2.723,61 2.723,62 0.928,63 0.596,64 1.388,65 1.388,66 1.49,67 3.706,68 5.979,69 5.778,70 3.564,71 4.503,72 33.5,73 3.813,74 3.813,75 7.35,76 2.513,77 4.287,78 4.973,82 2.556,83 2.556,84 0.345,85 -0.466,86 0.533,87 1.739,88 7.262,89 7.401,90 4.778,91 4.142,92 5.311,93 3.098,94 3.098,95 0.219,96 0.93,97 4.03,98 3.145,99 3.197,100 3.656,101 7.055,102 10465,103 4.343,104 2.924,105 -1.243,106 -1.243,107 3.707,108 1.916,109 7.465,110 10.297,111 7.718,112 8.865,113 8.395,114 1.789,115 13.776,116 18,117 4.248,118 23122,121 3.352,122 0.962,123 12104,124 1.735,125 4.423,126 4.423,127 1,128 3.459,129 39.149,130 2.945,131 2.945,132 0.687,133 2.414,134 1.472,135 2.121,136 3.455,137 3.455,138 1.472,139 1,140 7.4}
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{0 CHEMBL2006450,1 1,2 0.241,3 3.608,4 3.833,5 0.988,6 3.276,7 0.245,8 0.245,9 2.477,10 2.477,11 0.498,12 4.229,13 4.229,14 1,15 1.418,16 1.513,18 3.132,19 0.404,20 0.404,22 -0.216,23 2,24 3.566,25 7.267,26 2,27 1.313,28 2.247,29 1.846,30 1.846,31 1.547,32 1.547,33 349.006,34 2.552,35 3.34,36 0.076,37 531.09,38 1.237,39 3.374,40 1.178,41 1.178,42 3.194,43 2.319,45 7.071,46 7.071,47 1,48 3.046,49 363.544,50 2.76,51 343,52 3.369,53 0.721,54 3.149,55 3.564,56 1.537,57 2.567,58 2.567,59 5.971,60 2.388,61 2.388,62 0.954,63 0.658,64 1.346,65 1.346,66 1.49,67 3.555,68 5.796,69 5.587,70 3.501,71 4.5,72 31,73 3.003,74 3.003,75 7.107,76 2.513,77 4.171,78 4.856,82 2.401,83 2.401,84 0.365,85 -0.29,86 0.767,87 1.707,88 7.127,89 7.356,90 4.778,91 3.706,92 5.356,93 2.751,94 2.751,95 0.236,96 0.741,97 3.691,98 3.128,99 3.154,100 3.377,101 6.985,102 9279,103 4.138,104 2.916,105 -1.039,106 -1.039,107 3.436,108 1.893,109 7.277,110 10.002,111 7.429,112 8.623,113 8.311,114 1.807,115 12.978,116 17,117 4.17,118 15438,121 3.341,122 0.947,123 9206,124 1.649,125 3.82,126 3.82,127 1.181,128 3.322,129 39.149,130 2.805,131 2.805,132 0.576,133 2.398,134 1.443,135 2.109,136 3.444,137 3.444,138 1.443,139 1,140 6.5}
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{0 CHEMBL91829,2 1.323,3 3.745,4 4.625,5 1.704,6 3.391,7 1.331,8 1.331,9 4.662,10 4.662,11 1.502,12 6.615,13 6.615,15 2.307,16 1.592,17 1,19 3.638,20 3.638,22 1.266,23 3.594,24 3.632,25 12.797,26 3.574,27 2.843,28 3.628,29 2.266,30 2.266,31 2.106,32 2.106,33 531.818,34 3.808,35 4.318,36 0.03,37 807.73,38 2.327,39 3.632,40 4.576,41 4.576,42 3.581,43 2.723,45 10.243,46 10.243,47 2,48 3.433,49 541.512,50 4.379,51 510,52 4.751,53 1.952,54 3.355,55 4.956,56 2.54,57 5.465,58 5.465,59 6.495,60 2.943,61 2.943,62 0.786,63 0.538,64 1.939,65 1.939,66 2.004,67 3.653,68 6.441,69 10.619,70 3.609,71 5.399,72 44.25,73 3.942,74 3.942,75 7.644,76 3.058,77 4.649,78 5.338,79 2,80 4,81 8,82 2.806,83 2.806,84 0.271,85 1.789,86 2.28,87 1.787,88 7.8,89 8.033,90 5.346,91 4.357,92 10.619,93 3.194,94 3.194,95 0.181,96 1.923,97 4.167,98 3.361,99 3.356,100 3.918,101 9.416,102 191113,103 4.328,104 3.384,105 2.814,106 2.814,107 3.84,108 1.961,109 7.833,110 10.634,111 7.45,112 9.214,113 8.947,114 3.982,115 20.498,116 23,117 4.585,118 36566,121 3.522,122 2.628,123 22158,124 1.746,125 4.601,126 4.601,127 2.705,128 3.807,130 2.917,131 2.917,132 0.542,133 2.97,134 1.996,135 2.63,136 5.936,137 5.936,138 1.996,140 5.268}
{0 CHEMBL939,2 1.067,3 3.697,4 4.024,5 1.23,6 3.341,7 1.174,8 1.174,9 3.451,10 3.451,11 1.367,12 5.763,13 5.763,15 1.819,16 1.511,19 2.612,20 2.612,21 5,22 0.946,23 2.898,24 3.61,25 9.188,26 2.812,27 2.312,28 3.201,29 2.228,30 2.228,31 1.925,32 1.925,33 488.128,34 3.247,35 4.007,36 0.025,37 724.55,38 2.091,39 3.489,40 3.144,41 3.144,42 3.52,43 2.521,45 8.294,46 8.294,48 3.334,49 494.037,50 3.448,51 463,52 3.948,53 1.587,54 3.229,55 4.042,56 1.949,57 3.523,58 3.523,59 6.181,60 2.645,61 2.645,62 0.833,63 0.46,64 1.561,65 1.561,66 1.803,67 3.621,68 6.089,69 7.494,70 3.569,71 5.011,72 38.75,73 3.493,74 3.493,75 7.255,76 2.867,77 4.357,78 5.043,79 2,80 7,81 5,82 2.674,83 2.674,84 0.272,85 1,86 1.952,87 1.754,88 7.418,89 7.642,90 4.936,91 3.99,92 7.584,93 2.835,94 2.835,95 0.171,96 1.618,97 3.76,98 3.276,99 3.246,100 3.569,101 7.85,102 30787,103 4.466,104 2.999,105 1.449,106 1.449,107 3.763,108 1.945,109 7.478,110 10.183,111 8.201,112 8.812,113 8.634,114 1.454,115 18.21,116 17,117 4.17,118 42102,121 3.432,122 1.822,123 23153,124 1.691,125 3.872,126 3.872,127 2,128 3.248,130 2.926,131 2.926,132 0.585,133 2.589,134 1.675,135 2.22,136 4.444,137 4.444,138 1.675,140 5.3}
{0 CHEMBL941,2 1.276,3 3.833,4 4.111,5 1.697,6 3.611,7 1.265,8 1.265,9 4.415,10 4.415,11 1.543,12 6.483,13 6.483,15 2.052,16 1.508,19 3.364,20 3.364,21 2,22 1.197,23 3.414,24 3.814,25 10.811,26 3.414,27 2.744,28 3.429,29 2.392,30 2.392,31 2.32,32 2.32,33 521.411,34 3.541,35 3.986,36 0.026,37 775.58,38 2.282,39 3.684,40 3.703,41 3.703,42 3.74,43 2.784,45 8.628,46 8.628,48 3.544,49 535.987,50 4.047,51 502,52 4.413,53 2,54 3.505,55 4.806,56 2.486,57 5.438,58 5.438,59 6.413,60 2.798,61 2.798,62 0.877,63 0.329,64 1.928,65 1.928,66 2.183,67 3.816,68 6.271,69 9.213,70 3.82,71 5.204,72 51.25,73 3.759,74 3.759,75 7.375,76 3.267,77 4.575,78 5.263,79 2,80 5,81 7,82 3.117,83 3.117,84 0.21,85 1.75,86 2.207,87 1.877,88 7.59,89 7.812,90 5.103,91 4.165,92 9.213,93 2.876,94 2.876,95 0.128,96 1.829,97 3.858,98 3.335,99 3.524,100 3.787,101 8.411,102 68589,103 4.378,104 3.434,105 2.387,106 2.387,107 3.863,108 1.994,109 7.694,110 10.342,111 7.429,112 9.003,113 8.801,115 21.073,116 25,117 4.7,118 58418,121 3.667,122 2.5,123 35900,124 1.846,125 3.87,126 3.87,127 2.709,128 3.807,130 3.263,131 3.263,132 0.626,133 3.087,134 2.123,135 2.551,136 6.246,137 6.246,138 2.123,140 5.25}
{0 CHEMBL95692,2 0.874,3 3.707,4 3.989,5 1,6 3.056,7 0.934,8 0.934,9 2.465,10 2.465,11 1,12 4.747,13 4.747,15 1.5,16 1.519,17 1,19 2.136,20 2.136,21 1,22 0.735,23 2.664,24 3.618,25 8.064,26 2.326,27 2.139,28 2.753,29 2.082,30 2.082,31 1.787,32 1.787,33 415.273,34 3.247,35 3.672,36 0.03,37 608.88,38 1.873,39 3.512,40 2.275,41 2.275,42 3.374,43 2.219,45 7.884,46 7.884,48 3.073,49 414.186,50 3.414,51 389,52 3.489,53 1.213,54 2.958,55 3.762,56 1.69,57 2.738,58 2.738,59 6.065,60 2.625,61 2.625,62 0.892,63 0.667,64 1.234,65 1.234,66 1.654,67 3.629,68 5.984,69 6.691,70 3.62,71 4.654,72 34.5,73 3.462,74 3.462,75 7.098,76 2.718,77 4.238,78 4.924,79 1,80 2,81 4,82 2.607,83 2.607,84 0.336,85 1,86 1.72,87 1.728,88 7.323,89 7.567,90 4.851,91 3.936,92 6.921,93 2.692,94 2.692,95 0.224,96 1.04,97 3.663,98 2.909,99 2.968,100 3.55,101 7.332,102 13117,103 4.34,104 2.701,105 0.621,106 0.621,107 3.549,108 1.894,109 7.363,110 10.077,111 8.201,112 8.701,113 8.519,115 15.192,116 17,117 4.17,118 20321,121 3.238,122 1.583,123 11745,124 1.682,125 3.662,126 3.662,127 2,128 3.248,130 2.892,131 2.892,132 0.558,133 2.358,134 1.421,135 1.788,136 3.547,137 3.547,138 1.421,140 5.9}