@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3563

@attribute molecule_id {CHEMBL100017,CHEMBL100702,CHEMBL100849,CHEMBL100895,CHEMBL101306,CHEMBL1014,CHEMBL103238,CHEMBL105708,CHEMBL107495,CHEMBL107612,CHEMBL107818,CHEMBL1078675,CHEMBL1078778,CHEMBL1078779,CHEMBL1078855,CHEMBL1078981,CHEMBL1079067,CHEMBL1079068,CHEMBL1079105,CHEMBL1079162,CHEMBL108035,CHEMBL108077,CHEMBL108101,CHEMBL1083993,CHEMBL1084541,CHEMBL1085699,CHEMBL1086440,CHEMBL108700,CHEMBL108746,CHEMBL108865,CHEMBL109619,CHEMBL109893,CHEMBL111632,CHEMBL1171857,CHEMBL1172020,CHEMBL1172021,CHEMBL1172022,CHEMBL1172971,CHEMBL1172972,CHEMBL1173325,CHEMBL1173672,CHEMBL1173673,CHEMBL1173691,CHEMBL1173692,CHEMBL1173693,CHEMBL1173694,CHEMBL117767,CHEMBL118210,CHEMBL118355,CHEMBL118596,CHEMBL118638,CHEMBL118830,CHEMBL119213,CHEMBL119345,CHEMBL119370,CHEMBL119515,CHEMBL119756,CHEMBL119828,CHEMBL120254,CHEMBL1275672,CHEMBL1276198,CHEMBL1276253,CHEMBL1276301,CHEMBL1288521,CHEMBL1288522,CHEMBL1288523,CHEMBL1288524,CHEMBL1288525,CHEMBL1288526,CHEMBL1288527,CHEMBL1288528,CHEMBL1288529,CHEMBL1288530,CHEMBL1288531,CHEMBL1288532,CHEMBL1289440,CHEMBL1289441,CHEMBL1289553,CHEMBL1289660,CHEMBL1289764,CHEMBL1289988,CHEMBL1290084,CHEMBL1290191,CHEMBL1290303,CHEMBL1290418,CHEMBL1292,CHEMBL12998,CHEMBL151,CHEMBL157806,CHEMBL158567,CHEMBL158629,CHEMBL158806,CHEMBL158815,CHEMBL159089,CHEMBL159247,CHEMBL160000,CHEMBL160273,CHEMBL161038,CHEMBL161116,CHEMBL161148,CHEMBL161259,CHEMBL161424,CHEMBL161508,CHEMBL161573,CHEMBL161651,CHEMBL161739,CHEMBL161817,CHEMBL162250,CHEMBL162474,CHEMBL162695,CHEMBL181504,CHEMBL181752,CHEMBL181902,CHEMBL182790,CHEMBL182795,CHEMBL183005,CHEMBL183396,CHEMBL183767,CHEMBL195454,CHEMBL2042780,CHEMBL2042788,CHEMBL2042791,CHEMBL2042792,CHEMBL2042793,CHEMBL2042797,CHEMBL2042801,CHEMBL2113665,CHEMBL211974,CHEMBL212144,CHEMBL212611,CHEMBL212612,CHEMBL212613,CHEMBL212718,CHEMBL212845,CHEMBL213003,CHEMBL213224,CHEMBL21333,CHEMBL213789,CHEMBL214219,CHEMBL215671,CHEMBL2158132,CHEMBL2158133,CHEMBL2158234,CHEMBL215980,CHEMBL2180339,CHEMBL2180340,CHEMBL2180341,CHEMBL2180342,CHEMBL2180344,CHEMBL2180345,CHEMBL2180346,CHEMBL2180347,CHEMBL2180349,CHEMBL2180665,CHEMBL2180669,CHEMBL2180670,CHEMBL22587,CHEMBL238429,CHEMBL242103,CHEMBL249814,CHEMBL249815,CHEMBL251802,CHEMBL251810,CHEMBL252413,CHEMBL253015,CHEMBL254066,CHEMBL254687,CHEMBL254901,CHEMBL254902,CHEMBL254903,CHEMBL258670,CHEMBL258808,CHEMBL258842,CHEMBL259018,CHEMBL259139,CHEMBL259223,CHEMBL259355,CHEMBL260148,CHEMBL260192,CHEMBL260781,CHEMBL261208,CHEMBL261723,CHEMBL261725,CHEMBL261812,CHEMBL263133,CHEMBL265957,CHEMBL275938,CHEMBL299879,CHEMBL308954,CHEMBL313316,CHEMBL313679,CHEMBL314026,CHEMBL31574,CHEMBL315862,CHEMBL316864,CHEMBL321974,CHEMBL321988,CHEMBL323975,CHEMBL324722,CHEMBL326185,CHEMBL326220,CHEMBL327577,CHEMBL327582,CHEMBL327902,CHEMBL328234,CHEMBL328370,CHEMBL329128,CHEMBL329346,CHEMBL330050,CHEMBL330453,CHEMBL330503,CHEMBL330585,CHEMBL333067,CHEMBL333137,CHEMBL336693,CHEMBL346190,CHEMBL347459,CHEMBL348117,CHEMBL348163,CHEMBL348300,CHEMBL350102,CHEMBL350888,CHEMBL351045,CHEMBL351721,CHEMBL352168,CHEMBL352896,CHEMBL367811,CHEMBL373586,CHEMBL375977,CHEMBL376207,CHEMBL378621,CHEMBL384296,CHEMBL385682,CHEMBL391827,CHEMBL39878,CHEMBL399181,CHEMBL399361,CHEMBL399591,CHEMBL399675,CHEMBL399676,CHEMBL400904,CHEMBL401401,CHEMBL404954,CHEMBL405110,CHEMBL406038,CHEMBL406555,CHEMBL409024,CHEMBL409906,CHEMBL415311,CHEMBL416771,CHEMBL418861,CHEMBL419727,CHEMBL420256,CHEMBL420616,CHEMBL421363,CHEMBL421737,CHEMBL424886,CHEMBL436227,CHEMBL44,CHEMBL440504,CHEMBL442284,CHEMBL444202,CHEMBL451256,CHEMBL452693,CHEMBL452863,CHEMBL453633,CHEMBL454688,CHEMBL455668,CHEMBL455669,CHEMBL459639,CHEMBL460048,CHEMBL460049,CHEMBL460050,CHEMBL462539,CHEMBL470290,CHEMBL470902,CHEMBL504491,CHEMBL507837,CHEMBL510327,CHEMBL512308,CHEMBL541083,CHEMBL541696,CHEMBL549410,CHEMBL549616,CHEMBL549676,CHEMBL550025,CHEMBL550287,CHEMBL550633,CHEMBL550634,CHEMBL550694,CHEMBL550751,CHEMBL550771,CHEMBL550773,CHEMBL550836,CHEMBL550960,CHEMBL550965,CHEMBL551901,CHEMBL552098,CHEMBL552725,CHEMBL554300,CHEMBL554556,CHEMBL554709,CHEMBL554736,CHEMBL555141,CHEMBL555241,CHEMBL556464,CHEMBL556465,CHEMBL556466,CHEMBL557189,CHEMBL559646,CHEMBL559770,CHEMBL560043,CHEMBL560503,CHEMBL560840,CHEMBL560962,CHEMBL561239,CHEMBL561361,CHEMBL561769,CHEMBL561845,CHEMBL561904,CHEMBL562106,CHEMBL562224,CHEMBL562581,CHEMBL562782,CHEMBL563023,CHEMBL563197,CHEMBL563328,CHEMBL563815,CHEMBL563851,CHEMBL564049,CHEMBL564453,CHEMBL564546,CHEMBL564809,CHEMBL565191,CHEMBL565812,CHEMBL565862,CHEMBL565866,CHEMBL566064,CHEMBL566067,CHEMBL566068,CHEMBL566069,CHEMBL566273,CHEMBL566690,CHEMBL566691,CHEMBL566706,CHEMBL566707,CHEMBL566903,CHEMBL566904,CHEMBL566905,CHEMBL566920,CHEMBL566924,CHEMBL566931,CHEMBL566932,CHEMBL566933,CHEMBL567130,CHEMBL567132,CHEMBL567134,CHEMBL567135,CHEMBL567137,CHEMBL567142,CHEMBL567145,CHEMBL567147,CHEMBL567161,CHEMBL567323,CHEMBL567335,CHEMBL567337,CHEMBL567340,CHEMBL567341,CHEMBL567354,CHEMBL567356,CHEMBL567529,CHEMBL567531,CHEMBL567735,CHEMBL567769,CHEMBL567783,CHEMBL567784,CHEMBL567785,CHEMBL567786,CHEMBL567959,CHEMBL568171,CHEMBL568172,CHEMBL568419,CHEMBL568420,CHEMBL570844,CHEMBL571065,CHEMBL571295,CHEMBL571296,CHEMBL572120,CHEMBL576039,CHEMBL576648,CHEMBL576847,CHEMBL577121,CHEMBL577546,CHEMBL577752,CHEMBL577758,CHEMBL577764,CHEMBL577938,CHEMBL578136,CHEMBL578159,CHEMBL578161,CHEMBL578162,CHEMBL578585,CHEMBL579075,CHEMBL579273,CHEMBL579303,CHEMBL585873,CHEMBL586058,CHEMBL591771,CHEMBL592403,CHEMBL592404,CHEMBL592646,CHEMBL597857,CHEMBL600002,CHEMBL602277,CHEMBL602886,CHEMBL603089,CHEMBL604946,CHEMBL607123,CHEMBL607169,CHEMBL607170,CHEMBL6246,CHEMBL672,CHEMBL81,CHEMBL88307,CHEMBL88354,CHEMBL88586,CHEMBL88734,CHEMBL88782,CHEMBL89915,CHEMBL89973,CHEMBL89974,CHEMBL89990,CHEMBL90023,CHEMBL90060,CHEMBL90181,CHEMBL90197,CHEMBL90235,CHEMBL90250,CHEMBL90311,CHEMBL90339,CHEMBL90354,CHEMBL90371,CHEMBL90428,CHEMBL90475,CHEMBL90512,CHEMBL90688,CHEMBL90772,CHEMBL90808,CHEMBL90819,CHEMBL90859,CHEMBL90866,CHEMBL90867,CHEMBL90948,CHEMBL91003,CHEMBL91195,CHEMBL91201,CHEMBL91266,CHEMBL91267,CHEMBL91322,CHEMBL91344,CHEMBL91347,CHEMBL91439,CHEMBL91544,CHEMBL91640,CHEMBL91643,CHEMBL91644,CHEMBL91704,CHEMBL91830,CHEMBL91844,CHEMBL91887,CHEMBL91893,CHEMBL92099,CHEMBL92375,CHEMBL92376,CHEMBL92579,CHEMBL92903,CHEMBL93125,CHEMBL93166,CHEMBL93490,CHEMBL93774,CHEMBL939,CHEMBL94235}
@attribute Eig07_AEA.dm. numeric
@attribute Eig03_EA.dm. numeric
@attribute ATSC8s numeric
@attribute SsssCH numeric
@attribute Eig05_EA.ri. numeric
@attribute S3K numeric
@attribute Eig04_AEA.dm. numeric
@attribute ATS8s numeric
@attribute C.008 numeric
@attribute Eig02_EA.dm. numeric
@attribute SpAD_EA.dm. numeric
@attribute ATS6s numeric
@attribute ATS5s numeric
@attribute ATS6m numeric
@attribute ATS6e numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute Eta_epsi numeric
@attribute Eig07_EA.ri. numeric
@attribute ATSC8i numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig09_AEA.dm. numeric
@attribute ATSC6i numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute Eig05_AEA.ri. numeric
@attribute ATS7s numeric
@attribute ATS8m numeric
@attribute ATSC1i numeric
@attribute ATSC7i numeric
@attribute P_VSA_e_2 numeric
@attribute TIC1 numeric
@attribute ATS2e numeric
@attribute VvdwMG numeric
@attribute Vx numeric
@attribute ATS5e numeric
@attribute SAtot numeric
@attribute Sp numeric
@attribute Eig02_AEA.dm. numeric
@attribute VvdwZAZ numeric
@attribute Chi1_EA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute S1K numeric
@attribute ATS3e numeric
@attribute ATSC3i numeric
@attribute ATS1e numeric
@attribute ATSC5i numeric
@attribute Se numeric
@attribute ATS7v numeric
@attribute ATS7i numeric
@attribute S2K numeric
@attribute ON0 numeric
@attribute ATS8v numeric
@attribute IAC numeric
@attribute TIC0 numeric
@attribute Eig12_AEA.dm. numeric
@attribute Si numeric
@attribute ATS3i numeric
@attribute ATS6i numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute TIC2 numeric
@attribute Eig06_EA.dm. numeric
@attribute ATS2i numeric
@attribute X0 numeric
@attribute TIC3 numeric
@attribute ATS8e numeric
@attribute ATS5i numeric
@attribute X1Kup numeric
@attribute TIC4 numeric
@attribute pXC50 numeric

@data
{1 2.597,2 1.951,3 122.488,4 -1.98,5 2.367,6 7.243,7 3.54,8 6.282,9 3,10 2.206,11 20.497,12 6.309,13 6.511,14 4.104,15 5.01,16 2.384,17 2.384,18 36.833,19 1.882,20 1.489,21 1.258,22 1.975,23 1.538,24 4.035,25 4.996,26 3.379,27 6.21,28 4.117,29 0.87,30 1.525,31 151.856,32 211.235,33 4.754,34 239.489,35 576.113,36 5.105,37 620.402,38 40.188,39 3.771,40 432.73,41 14.12,42 2.099,43 24.626,44 5.057,45 1.733,46 4.2,47 1.609,48 62.429,49 4.054,50 5.206,51 11.735,52 17.833,53 4.094,54 95.818,55 95.818,56 1.279,57 69.94,58 5.262,59 5.22,60 0.12,61 276.921,62 0.607,63 4.925,64 23.794,65 306.141,66 4.973,67 5.323,68 10.817,69 319.65,70 6.416}
{0 CHEMBL100702,1 2.727,2 1.951,3 149.937,4 -1.928,5 2.415,6 8.366,7 3.534,8 6.469,9 2,10 2.206,11 20.497,12 6.409,13 6.527,14 4.306,15 5.123,16 2.433,17 2.433,18 40.933,19 2.068,20 1.851,21 1.491,22 2.051,23 1.845,24 4.243,25 5.188,26 3.427,27 6.427,28 4.279,29 0.952,30 1.915,31 189.413,32 225.469,33 4.852,34 271.275,35 653.671,36 5.177,37 681.5,38 45.949,39 3.767,40 488.05,41 16.081,42 2.31,43 27.248,44 5.158,45 1.966,46 4.312,47 1.86,48 69.312,49 4.286,50 5.388,51 13.665,52 19.333,53 4.274,54 104.337,55 104.337,56 1.573,57 77.355,58 5.36,59 5.321,60 0.102,61 289.336,62 0.607,63 5.009,64 26.744,65 335.184,66 5.173,67 5.396,68 12.483,69 358.469,70 7.275}
{0 CHEMBL100849,1 2.723,2 2.026,3 140.551,4 -1.656,5 2.424,6 11.158,7 3.555,8 6.564,9 2,10 2.206,11 21.715,12 6.471,13 6.514,14 4.522,15 5.273,16 2.426,17 2.426,18 44.333,19 2.072,20 2.421,21 1.546,22 2.276,23 2.249,24 4.43,25 5.367,26 3.426,27 6.527,28 4.532,29 1.009,30 2.424,31 265.083,32 240.572,33 4.933,34 313.722,35 757.243,36 5.277,37 787.756,38 53.421,39 3.808,40 557.09,41 17.322,42 2.697,43 31.087,44 5.218,45 2.146,46 4.414,47 2.23,48 77.61,49 4.488,50 5.571,51 17.18,52 21,53 4.537,54 114.619,55 114.619,56 1.744,57 86.813,58 5.422,59 5.465,60 0.091,61 304.539,62 0.34,63 5.083,64 29.409,65 355.732,66 5.373,67 5.492,68 14.054,69 391.242,70 8.377}
{0 CHEMBL100895,1 2.419,2 1.951,3 144.822,4 -1.931,5 2.319,6 8.047,7 3.534,8 6.328,9 2,10 2.206,11 22.217,12 6.351,13 6.507,14 4.189,15 5.013,16 2.356,17 2.356,18 38.3,19 1.709,20 1.543,21 1.258,22 2.001,23 1.556,24 4.092,25 5.085,26 3.343,27 6.311,28 4.13,29 0.879,30 1.612,31 151.787,32 220.643,33 4.778,34 243.485,35 585.864,36 5.091,37 631.332,38 40.642,39 3.767,40 441.52,41 14.607,42 2.129,43 25.569,44 5.043,45 1.682,46 4.225,47 1.572,48 63.756,49 4.113,50 5.293,51 12.994,52 18,53 4.112,54 99.326,55 99.326,56 1.491,57 71.149,58 5.238,59 5.201,60 0.116,61 293.085,62 0.815,63 4.943,64 24.338,65 322.304,66 5.034,67 5.303,68 10.868,69 335.814,70 6.007}
{0 CHEMBL101306,1 2.353,2 1.951,3 126.463,4 -1.87,5 2.319,6 7.519,7 3.534,8 6.27,9 2,10 2.206,11 20.497,12 6.329,13 6.466,14 4.127,15 5.03,16 2.355,17 2.355,18 36.833,19 1.708,20 1.498,21 1.138,22 1.964,23 1.575,24 4.065,25 5.036,26 3.342,27 6.252,28 4.099,29 0.87,30 1.557,31 147.671,32 213.235,33 4.754,34 239.489,35 576.113,36 5.049,37 616.217,38 40.188,39 3.767,40 432.73,41 14.107,42 2.061,43 24.626,44 5.052,45 1.705,46 4.2,47 1.558,48 62.429,49 4.068,50 5.247,51 12.287,52 17.5,53 4.085,54 95.818,55 95.818,56 1.258,57 69.94,58 5.262,59 5.237,60 0.119,61 285.676,62 0.607,63 4.925,64 23.631,65 314.896,66 4.976,67 5.255,68 10.925,69 328.405,70 6.437}
{0 CHEMBL1014,1 2.623,2 0.86,3 100.366,4 -1.307,5 2.482,6 7.188,7 3.117,8 6.412,9 1,10 1.743,11 13.809,12 6.533,13 6.521,14 4.532,15 5.328,16 2.58,17 2.58,18 48.7,19 2.254,20 2.21,21 1.588,22 2.437,23 2.284,24 4.503,25 5.348,26 3.548,27 6.378,28 4.341,29 1.167,30 2.325,31 184.99,32 292.174,33 5.037,34 306.717,35 740.15,36 5.318,37 752.817,38 52.421,39 3.699,40 532.58,41 19.559,42 2.522,43 30.753,44 5.254,45 2.141,46 4.484,47 2.255,48 79.945,49 4.468,50 5.554,51 14.23,52 22.167,53 4.378,54 127.54,55 127.54,56 1.748,57 89.059,58 5.451,59 5.5,60 0.095,61 382.096,62 0.253,63 5.188,64 31.175,65 432.615,66 5.372,67 5.488,68 14.874,69 452.489,70 4.377}
{0 CHEMBL103238,1 2.722,2 2.026,3 134.883,4 -1.646,5 2.425,6 11.742,7 3.554,8 6.559,9 2,10 2.206,11 21.715,12 6.496,13 6.532,14 4.555,15 5.332,16 2.426,17 2.426,18 45.633,19 2.072,20 2.501,21 1.601,22 2.33,23 2.379,24 4.463,25 5.395,26 3.426,27 6.538,28 4.534,29 1.051,30 2.497,31 267.617,32 253.141,33 4.973,34 323.315,35 780.648,36 5.309,37 813.833,38 55.182,39 3.808,40 574.39,41 17.822,42 2.711,43 32.065,44 5.262,45 2.235,46 4.449,47 2.286,48 80.494,49 4.51,50 5.598,51 17.951,52 21.5,53 4.552,54 117.989,55 117.989,56 1.744,57 90.228,58 5.472,59 5.536,60 0.089,61 325.805,62 0.34,63 5.127,64 30.116,65 376.999,66 5.4,67 5.526,68 14.554,69 412.508,70 8.699}
{0 CHEMBL105708,1 2.468,2 1.951,3 128.335,4 -1.643,5 2.355,6 8.068,7 3.534,8 6.292,9 2,10 2.206,11 20.497,12 6.408,13 6.497,14 4.177,15 5.123,16 2.376,17 2.376,18 38.133,19 2.054,20 1.563,21 1.258,22 1.982,23 1.707,24 4.135,25 5.111,26 3.369,27 6.316,28 4.12,29 0.909,30 1.652,31 153.962,32 222.305,33 4.801,34 249.081,35 599.518,36 5.087,37 646.05,38 41.949,39 3.767,40 450.03,41 14.641,42 2.112,43 25.607,44 5.106,45 1.809,46 4.242,47 1.64,48 65.312,49 4.11,50 5.329,51 12.45,52 18.333,53 4.114,54 99.298,55 99.298,56 1.491,57 73.355,58 5.313,59 5.335,60 0.116,61 297.215,62 0.607,63 4.977,64 24.501,65 326.434,66 5.017,67 5.287,68 11.281,69 339.944,70 6.562}
{0 CHEMBL107495,1 2.752,2 1.935,3 179.481,4 -2.048,5 2.662,6 10.357,7 3.428,8 6.799,9 2,10 1.996,11 20.864,12 6.717,13 6.691,14 4.724,15 5.491,16 2.703,17 2.703,18 55.567,19 2.443,20 3.094,21 1.915,22 2.649,23 2.798,24 4.606,25 5.547,26 3.689,27 6.908,28 4.784,29 1.345,30 2.896,31 255.882,32 334.438,33 5.164,34 369.418,35 893.14,36 5.51,37 897.083,38 63.108,39 3.838,40 653.27,41 21.886,42 2.724,43 36.893,44 5.473,45 2.824,46 4.622,47 2.788,48 93.454,49 4.671,50 5.738,51 17.559,52 26.083,53 4.73,54 148.486,55 148.486,56 2.083,57 104.142,58 5.674,59 5.693,60 0.085,61 439.515,62 0.47,63 5.312,64 36.34,65 518.226,66 5.593,67 5.732,68 17.09,69 546.142,70 7.319}
{0 CHEMBL107612,1 1,2 0.4,3 15.556,5 1.446,6 4.617,7 2.308,8 4.728,10 0.782,11 5.785,12 5.217,13 5.202,14 3.298,15 4.212,16 1.488,17 1.488,18 20.667,19 1,20 0.545,21 -0.465,22 0.997,23 0.845,24 3.348,25 4.086,26 2.462,27 5.04,28 2.815,29 0.548,30 0.726,31 151.044,32 114.304,33 4.082,34 154.758,35 369.369,36 4.262,37 377.756,38 25.239,39 3.073,40 262.93,41 7.618,42 1,43 14.499,44 4.298,45 0.983,46 3.661,47 0.865,48 35.785,49 3.133,50 4.355,51 7.029,52 10.667,53 2.848,54 55.514,55 55.514,56 -0.404,57 40.404,58 4.507,59 4.452,60 0.201,61 134.078,63 4.251,64 14.372,65 154.608,66 3.805,67 4.513,68 6.151,69 163.362,70 4.699}
{0 CHEMBL107818,1 2.73,2 1.935,3 172.152,4 -1.968,5 2.483,6 10.991,7 3.428,8 6.659,9 2,10 1.996,11 20.864,12 6.579,13 6.581,14 4.554,15 5.349,16 2.485,17 2.485,18 48.767,19 1.991,20 2.62,21 1.59,22 2.254,23 2.342,24 4.434,25 5.409,26 3.485,27 6.78,28 4.62,29 1.197,30 2.449,31 207.685,32 292.683,33 5.019,34 319.175,35 770.548,36 5.351,37 801.802,38 53.586,39 3.838,40 571.95,41 18.597,42 2.718,43 33.057,44 5.323,45 2.337,46 4.476,47 2.268,48 81.687,49 4.508,50 5.606,51 16.855,52 22.75,53 4.571,54 133.659,55 133.659,56 1.737,57 91.311,58 5.536,59 5.557,60 0.103,61 376.395,62 0.47,63 5.176,64 31.202,65 422.244,66 5.457,67 5.573,68 14.281,69 442.773,70 6.444}
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{0 CHEMBL119370,1 0.767,3 12.222,5 1.396,6 2.523,7 2.164,8 4.012,11 3.42,12 5.056,13 4.944,14 3.908,15 3.445,16 1.645,17 1.645,18 15.69,19 0.342,20 0.25,21 -1.134,22 0.031,23 0.453,24 2.794,25 3.263,26 2.567,27 4.512,28 3.832,29 0.384,30 0.367,31 139.821,32 87.777,33 3.666,34 124.64,35 295.88,36 3.572,37 300.826,38 19.307,39 3.285,40 198.48,41 6.001,42 0.475,43 11.749,44 3.848,45 0.674,46 3.293,47 0.494,48 23.647,49 2.467,50 3.452,51 4.642,52 9,53 2.112,54 47.861,55 47.861,56 -0.948,57 25.674,58 3.989,59 3.585,60 0.273,61 97.287,63 3.771,64 11.707,65 102.042,66 2.87,67 3.726,68 4.323,69 102.042,70 5.046}
{0 CHEMBL119515,1 1.677,2 0.773,3 29.095,5 1.578,6 2.404,7 2.773,8 5.085,10 1.137,11 8.507,12 5.339,13 5.749,14 3.166,15 3.905,16 1.646,17 1.646,18 21.467,19 1.357,20 0.465,21 -0.018,22 1.258,23 0.508,24 3.102,25 3.767,26 2.614,27 5.127,28 3.055,29 0.403,30 0.46,31 115.607,32 96.186,33 4.084,34 138.5,35 329.701,36 4.093,37 334.648,38 22.631,39 3.6,40 248.88,41 8.561,42 1.318,43 13.376,44 4.283,45 0.782,46 3.597,47 0.596,48 32.829,49 3.111,50 3.9,51 5.408,52 10.833,53 3.108,54 49.946,55 49.946,56 0.119,57 35.412,58 4.416,59 4.034,60 0.201,61 115.861,63 4.18,64 14.82,65 140.39,66 3.778,67 4.222,68 6.27,69 150,70 4.523}
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{0 CHEMBL120254,1 1.271,3 44.002,5 1.568,6 2.534,7 2.36,8 4.518,10 1.71,11 8.645,12 5.545,13 5.299,14 3.538,15 3.706,16 1.679,17 1.679,18 19.267,19 0.94,20 0.24,21 -0.698,22 0.747,23 0.475,24 2.919,25 3.57,26 2.616,27 5.441,28 2.564,29 0.43,30 0.367,31 84.136,32 97.832,33 3.78,34 118.914,35 281.91,36 3.781,37 301.558,38 17.801,39 3.724,40 199.14,41 6.572,42 1,43 12.571,44 3.967,45 0.68,46 3.406,47 0.505,48 26.451,49 2.582,50 3.722,51 4.775,52 10.333,53 2.137,54 51.551,55 51.551,56 -0.528,57 28.455,58 4.102,59 3.83,60 0.245,61 107.342,63 3.872,64 13.284,65 112.096,66 3.141,67 3.923,68 4.613,69 112.096,70 4.647}
{0 CHEMBL1275672,1 1.703,2 1.946,3 12.238,4 0.279,5 1.383,6 5.071,7 3.075,8 4.575,9 1,10 2.95,11 20.837,12 4.793,13 4.834,14 3.111,15 3.948,16 1.466,17 1.466,18 19.8,19 1,20 0.543,21 0.157,22 1,23 0.675,24 3.053,25 3.818,26 2.419,27 4.706,28 3.065,29 0.506,30 0.626,31 181.276,32 119.854,33 4.086,34 156.895,35 374.585,36 3.927,37 397.409,38 25.529,39 4.406,40 270.53,41 7.884,42 1.282,43 14.728,44 4.232,45 0.997,46 3.601,47 0.693,48 33.836,49 2.964,50 4.049,51 7.803,52 9.833,53 2.863,54 56.755,55 56.755,56 0.215,57 37.746,58 4.439,59 4.201,60 0.208,61 145.854,63 4.24,64 13.502,65 153.464,66 3.702,67 4.16,68 6.153,69 156.219,70 7.222}
{0 CHEMBL1276198,1 1.704,2 1.885,3 20.601,4 -0.067,5 1.384,6 4.825,7 2.991,8 4.707,9 1,10 2.95,11 20.452,12 4.804,13 4.888,14 3.042,15 3.881,16 1.466,17 1.466,18 20.3,19 1,20 0.514,21 0.119,22 1,23 0.608,24 3.014,25 3.867,26 2.42,27 4.795,28 2.993,29 0.52,30 0.607,31 140.076,32 117.854,33 4.093,34 149.761,35 357.176,36 3.893,37 381.353,38 24.335,39 4.406,40 260.81,41 7.882,42 1.238,43 14.321,44 4.265,45 0.937,46 3.608,47 0.63,48 34.087,49 2.94,50 4.109,51 7.487,52 9.833,53 2.817,54 59.51,55 59.51,56 0.304,57 38.036,58 4.469,59 4.116,60 0.206,61 145.854,63 4.245,64 13.502,65 153.464,66 3.741,67 4.129,68 6.107,69 156.219,70 6.398}
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{0 CHEMBL161817,1 2.746,2 2.206,3 149.032,4 -1.788,5 2.375,6 12.309,7 3.624,8 6.562,9 2,10 2.443,11 27.173,12 6.508,13 6.535,14 4.52,15 5.295,16 2.39,17 2.39,18 45.167,19 2.072,20 2.341,21 1.744,22 2.325,23 2.217,24 4.411,25 5.361,26 3.382,27 6.592,28 4.52,29 1.02,30 2.346,31 235.125,32 259.115,33 4.934,34 306.186,35 738.854,36 5.256,37 793.943,38 51.33,39 3.811,40 551.31,41 17.012,42 2.719,43 32.078,44 5.198,45 2.019,46 4.402,47 2.095,48 77.265,49 4.461,50 5.56,51 18.084,52 21.5,53 4.502,54 118.915,55 118.915,56 1.815,57 86.231,58 5.399,59 5.491,60 0.096,61 343.635,62 0.815,63 5.088,64 29.288,65 383.484,66 5.36,67 5.462,68 13.5,69 408.768,70 8.538}
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{0 CHEMBL183396,1 1.74,3 39.262,4 0.744,5 1.851,6 4.163,7 2.88,8 5.49,10 0.782,11 4.985,12 5.554,13 5.399,14 4.018,15 4.5,16 2.071,17 2.071,18 23.438,19 1.202,20 0.821,21 -0.025,22 1,23 1.077,24 3.753,25 4.443,26 3.018,27 5.588,28 3.925,29 0.524,30 1.011,31 139.95,32 132.666,33 4.185,34 176.42,35 422.226,36 4.45,37 426.949,38 28.71,39 3.573,40 304.59,41 9.524,42 1.421,43 16.555,44 4.432,45 1,46 3.738,47 1.031,48 38.214,49 3.685,50 4.633,51 7.074,52 12.167,53 3.527,54 64.576,55 64.576,56 0.315,57 42.209,58 4.612,59 4.717,60 0.179,61 158.666,63 4.322,64 16.397,65 182.666,66 4.313,67 4.665,68 7.249,69 187.421,70 7.523}
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{0 CHEMBL211974,1 1.097,2 0.782,3 53.594,5 1.268,6 2.585,7 2.813,8 5.059,10 1.71,11 10.885,12 5.102,13 5.362,14 3.186,15 3.91,16 1.297,17 1.297,18 18.467,19 0.703,20 0.312,21 -1,22 0.437,23 0.617,24 2.939,25 3.658,26 2.28,27 4.872,28 2.811,29 0.46,30 0.494,31 100.355,32 103.851,33 3.962,34 127.907,35 303.854,36 4.051,37 306.285,38 20.267,39 3.725,40 220.34,41 6.612,42 0.735,43 12.33,44 4.226,45 0.877,46 3.457,47 0.691,48 28.647,49 2.695,50 3.888,51 4.625,52 9.583,53 2.217,54 54.578,55 54.578,56 -0.695,57 31.415,58 4.384,59 4.146,60 0.273,61 116.606,63 4.077,64 12.466,65 124.606,66 3.271,67 4.25,68 5.061,69 126.606,70 4.699}
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{0 CHEMBL212718,1 0.761,3 6.582,5 1.35,6 1.953,7 1.977,8 3.02,12 4.957,13 5.107,14 3.474,15 3.806,16 1.399,17 1.399,18 14.633,19 0.22,20 0.127,21 -1.49,22 -0.176,23 0.452,24 2.819,25 3.294,26 2.387,27 4.156,28 0.884,29 0.268,30 0.281,31 85.963,32 87.805,33 3.818,34 119.03,35 282.193,36 3.984,37 286.544,38 19.375,39 3.064,40 210.07,41 5.93,42 0.443,43 10.377,44 4.084,45 0.604,46 3.327,47 0.558,48 25.858,49 2.09,50 3.588,51 4.155,52 8.167,53 1.083,54 36.052,55 36.052,56 -1.083,57 28.542,58 4.26,59 4.034,60 0.28,61 107.457,63 3.952,64 10.836,65 116.211,66 2.505,67 4.185,68 4.913,69 116.211,70 6.097}
{0 CHEMBL212845,1 0.689,3 11.287,5 1.177,6 2.063,7 1.678,8 3.878,10 0.782,11 4.985,12 4.605,13 4.648,14 2.859,15 3.55,16 1.194,17 1.194,18 14.567,19 0.32,20 0.21,21 -1.572,22 -0.32,23 0.451,24 2.654,25 3.321,26 2.182,27 4.409,28 1.784,29 0.392,30 0.351,31 97.579,32 85.342,33 3.787,34 108.784,35 257.193,36 3.765,37 259.196,38 17.71,39 3.316,40 184.25,41 5.66,42 0.237,43 9.464,44 3.987,45 0.708,46 3.322,47 0.525,48 24.916,49 2.343,50 3.573,51 3.964,52 7.333,53 1.753,54 40.068,55 40.068,56 -1.315,57 28.076,58 4.205,59 3.805,60 0.294,61 96.096,63 3.953,64 9.966,65 108.096,66 2.911,67 4.037,68 4.47,69 110.096,70 4.77}
{0 CHEMBL213003,1 0.953,2 0.782,3 14.59,5 1.253,6 2.459,7 1.949,8 4.013,10 0.86,11 6.705,12 4.806,13 4.821,14 2.965,15 3.803,16 1.275,17 1.275,18 16.033,19 0.44,20 0.218,21 -1.335,22 -0.136,23 0.537,24 2.823,25 3.532,26 2.261,27 4.727,28 1.821,29 0.402,30 0.403,31 101.694,32 93.457,33 3.844,34 112.78,35 266.944,36 3.855,37 274.311,38 18.165,39 3.319,40 193.04,41 6.16,42 0.4,43 10.39,44 4.041,45 0.704,46 3.38,47 0.574,48 26.244,49 2.492,50 3.787,51 4.593,52 7.833,53 1.816,54 46.184,55 46.184,56 -1.045,57 29.285,58 4.234,59 4.056,60 0.274,61 106.211,63 3.993,64 10.673,65 114.211,66 3.038,67 4.085,68 4.576,69 116.211,70 4.77}
{0 CHEMBL213224,1 1.465,2 0.782,3 52.155,5 1.464,6 3.294,7 2.982,8 5.209,10 1.71,11 10.885,12 5.322,13 5.427,14 4.186,15 3.954,16 1.918,17 1.918,18 19.4,19 0.712,20 0.316,21 -0.323,22 0.545,23 0.613,24 3.179,25 3.692,26 2.742,27 4.929,28 4.205,29 0.434,30 0.5,31 87.512,32 111.851,33 3.98,34 151.735,35 361.993,36 4.083,37 361.809,38 22.972,39 3.725,40 258.9,41 7.424,42 1.027,43 15.224,44 4.252,45 0.859,46 3.471,47 0.681,48 29.105,49 2.887,50 3.866,51 5.676,52 11.25,53 2.578,54 62.102,55 62.102,56 -0.098,57 31.098,58 4.367,59 4.118,60 0.247,61 122.606,63 4.066,64 14.207,65 126.606,66 3.309,67 4.229,68 5.363,69 126.606,70 6.086}
{0 CHEMBL21333,1 2.079,2 0.86,3 62.297,5 2.354,6 5.766,7 2.875,8 5.907,10 0.86,11 5.557,12 6.051,13 6.113,14 4.095,15 4.854,16 2.439,17 2.439,18 37.167,19 1.717,20 1.317,21 1.025,22 1.833,23 1.473,24 4.041,25 4.83,26 3.403,27 6.032,28 3.904,29 0.872,30 1.434,31 175.597,32 221.951,33 4.689,34 241.77,35 581.678,36 4.916,37 579.498,38 40.699,39 3.551,40 423.46,41 14.986,42 2.023,43 23.617,44 4.931,45 1.559,46 4.199,47 1.545,48 59.771,49 3.989,50 5.035,51 11.083,52 17.333,53 3.905,54 95.042,55 95.042,56 1.498,57 66.066,58 5.11,59 5.053,60 0.113,61 275.302,63 4.823,64 24.744,65 314.321,66 4.746,67 5.118,68 11.397,69 323.076,70 4.167}
{0 CHEMBL213789,1 0.518,3 33.373,5 1.114,6 3.852,7 1.742,8 4.592,10 0.782,11 4.985,12 5.178,13 5.076,14 3.121,15 4.058,16 1.122,17 1.122,18 16.633,19 -0.064,20 0.268,21 -1.418,22 -0.075,23 0.645,24 3.026,25 3.88,26 2.116,27 4.993,28 2.389,29 0.415,30 0.511,31 100.684,32 102.241,33 3.819,34 120.174,35 284.983,36 3.996,37 316.755,38 18.926,39 3.146,40 205.4,41 5.547,42 -0.056,43 11.942,44 4.027,45 0.686,46 3.409,47 0.641,48 28.127,49 2.679,50 4.145,51 5.679,52 8.833,53 2.038,54 48.526,55 48.526,56 -1.191,57 31.7,58 4.237,59 4.312,60 0.283,61 117.851,63 3.997,64 11.259,65 125.851,66 3.399,67 4.224,68 4.526,69 125.851,70 4.481}
{0 CHEMBL214219,1 1.124,2 0.782,3 53.114,5 1.451,6 3.04,7 2.857,8 5.137,10 1.71,11 10.885,12 5.287,13 5.375,14 4.043,15 3.941,16 1.702,17 1.702,18 18.933,19 0.708,20 0.318,21 -0.696,22 0.509,23 0.617,24 3.122,25 3.681,26 2.614,27 4.914,28 3.734,29 0.448,30 0.498,31 93.934,32 110.341,33 3.971,34 139.821,35 332.924,36 4.064,37 334.047,38 21.619,39 3.725,40 239.62,41 7.023,42 0.996,43 13.775,44 4.238,45 0.874,46 3.464,47 0.694,48 28.876,49 2.812,50 3.873,51 5.151,52 10.417,53 2.413,54 59.412,55 59.412,56 -0.29,57 31.256,58 4.375,59 4.128,60 0.258,61 121.851,63 4.071,64 13.336,65 126.606,66 3.29,67 4.243,68 5.209,69 126.606,70 6.678}
{0 CHEMBL215671,1 1.001,2 0.782,3 15.757,5 1.311,6 2.943,7 2.57,8 4.221,10 0.86,11 6.705,12 4.877,13 4.914,14 3.548,15 3.823,16 1.417,17 1.417,18 16.5,19 0.469,20 0.225,21 -1.07,22 0.282,23 0.545,24 2.954,25 3.557,26 2.356,27 4.776,28 3.446,29 0.393,30 0.413,31 95.273,32 99.947,33 3.854,34 124.694,35 296.013,36 3.872,37 302.073,38 19.517,39 3.347,40 212.32,41 6.57,42 0.566,43 11.825,44 4.057,45 0.707,46 3.388,47 0.578,48 26.473,49 2.633,50 3.77,51 5.12,52 8.667,53 2.097,54 51.018,55 51.018,56 -0.702,57 29.127,58 4.224,59 4.043,60 0.26,61 111.457,63 3.987,64 11.544,65 116.211,66 3.062,67 4.076,68 4.724,69 116.211,70 6.959}
{0 CHEMBL2158132,1 1.982,3 48.363,5 1.986,6 4.476,7 2.745,8 5.391,10 0.86,11 3.68,12 5.502,13 5.537,14 3.621,15 4.132,16 2.226,17 2.226,18 27.452,19 1.42,20 0.574,21 0.581,22 1.258,23 0.667,24 3.324,25 4.086,26 3.161,27 5.512,28 3.433,29 0.568,30 0.633,31 113.432,32 153.724,33 4.236,34 173.881,35 416.03,36 4.293,37 441.558,38 27.506,39 3.13,40 300.85,41 10.136,42 1.622,43 18.075,44 4.387,45 0.902,46 3.813,47 0.809,48 40.458,49 3.248,50 4.258,51 8.101,52 13.667,53 3.169,54 72.538,55 72.538,56 0.71,57 43.851,58 4.51,59 4.301,60 0.156,61 174.969,63 4.348,64 18.518,65 190.621,66 3.952,67 4.484,68 7.239,69 193.376,70 7.398}
{0 CHEMBL2158133,1 1.982,3 46.424,5 1.947,6 4.563,7 2.726,8 5.381,10 0.86,11 3.68,12 5.468,13 5.528,14 3.829,15 4.129,16 2.226,17 2.226,18 26.833,19 1.42,20 0.585,21 0.581,22 1.253,23 0.687,24 3.335,25 4.083,26 3.15,27 5.483,28 3.546,29 0.568,30 0.65,31 112.986,32 153.724,33 4.233,34 177.462,35 424.767,36 4.292,37 447.918,38 28,39 3.13,40 304.92,41 10.136,42 1.622,43 18.264,44 4.383,45 0.921,46 3.811,47 0.824,48 40.364,49 3.261,50 4.254,51 8.231,52 13.667,53 3.177,54 72.538,55 72.538,56 0.709,57 43.748,58 4.505,59 4.297,60 0.156,61 174.969,63 4.345,64 18.518,65 190.621,66 3.95,67 4.483,68 7.258,69 193.376,70 6.699}
{0 CHEMBL2158234,1 1.992,2 0.532,3 41.909,5 1.948,6 3.855,7 2.727,8 5.319,10 0.98,11 5.806,12 5.342,13 5.369,14 3.817,15 3.969,16 2.257,17 2.257,18 26.233,19 1.439,20 0.565,21 0.705,22 1.524,23 0.597,24 3.267,25 3.964,26 3.156,27 5.403,28 3.54,29 0.548,30 0.591,31 113.997,32 141.098,33 4.252,34 170.069,35 406.728,36 4.154,37 405.474,38 27.239,39 3.307,40 292.56,41 10.77,42 1.832,43 16.91,44 4.348,45 0.898,46 3.792,47 0.751,48 38.48,49 3.232,50 4.095,51 7.376,52 12.667,53 3.16,54 69.209,55 69.209,56 0.793,57 41.333,58 4.475,59 4.101,60 0.15,61 160.343,63 4.342,64 17.933,65 177.995,66 3.907,67 4.341,68 7.397,69 182.75,70 7.523}
{0 CHEMBL215980,1 0.941,3 18.613,5 1.364,6 2.961,7 2.463,8 4.375,10 0.782,11 4.985,12 4.916,13 4.934,14 3.575,15 3.902,16 1.417,17 1.417,18 16.333,19 0.483,20 0.297,21 -1.126,22 0.191,23 0.596,24 3.026,25 3.638,26 2.402,27 4.688,28 3.465,29 0.419,30 0.463,31 93.692,32 102.832,33 3.917,34 130.29,35 309.668,36 4.006,37 313.034,38 20.824,39 3.307,40 220.83,41 6.57,42 0.542,43 11.863,44 4.176,45 0.821,46 3.428,47 0.668,48 28.029,49 2.717,50 3.876,51 5.146,52 8.667,53 2.232,54 48.778,55 48.778,56 -0.714,57 31.333,58 4.382,59 4.13,60 0.26,61 117.851,63 4.078,64 11.544,65 126.606,66 3.218,67 4.245,68 5.118,69 126.606,70 7.77}
{0 CHEMBL2180339,1 1.713,2 1.675,3 49.732,5 1.706,6 4.4,7 3.042,8 5.331,10 1.894,11 18.422,12 5.446,13 5.499,14 3.624,15 4.372,16 1.828,17 1.828,18 24.9,19 1.406,20 0.781,21 0.878,22 1.302,23 1.027,24 3.546,25 4.319,26 2.781,27 5.316,28 3.312,29 0.591,30 0.89,31 157.454,32 131.57,33 4.294,34 174.412,35 417.326,36 4.332,37 430.158,38 28.904,39 3.511,40 306.41,41 9.768,42 1.626,43 16.593,44 4.462,45 1.074,46 3.813,47 0.969,48 41.222,49 3.4,50 4.546,51 8.022,52 12,53 3.286,54 68.359,55 68.359,56 1,57 45.74,58 4.645,59 4.568,60 0.168,61 158.176,63 4.436,64 16.778,65 181.395,66 4.261,67 4.51,68 7.525,69 192.905,70 4.991}
{0 CHEMBL2180340,1 1.714,2 1.675,3 50.885,4 -0.171,5 1.801,6 4.428,7 3.123,8 5.473,9 1,10 1.894,11 18.422,12 5.558,13 5.577,14 3.718,15 4.482,16 1.959,17 1.959,18 26.2,19 1.424,20 0.937,21 0.878,22 1.333,23 1.148,24 3.675,25 4.491,26 2.889,27 5.449,28 3.398,29 0.631,30 1.045,31 165.379,32 143.247,33 4.369,34 184.004,35 440.731,36 4.411,37 461.626,38 30.665,39 3.553,40 323.71,41 10.271,42 1.638,43 17.56,44 4.558,45 1.191,46 3.875,47 1.058,48 44.105,49 3.566,50 4.725,51 8.215,52 12.833,53 3.441,54 72.039,55 72.039,56 1,57 49.155,58 4.742,59 4.674,60 0.164,61 175.976,63 4.519,64 17.648,65 199.195,66 4.443,67 4.591,68 7.975,69 210.705,70 4.967}
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{0 CHEMBL259018,1 2.486,2 0.366,3 60.483,5 2.08,6 6.959,7 3.171,8 5.378,10 2.186,11 11.65,12 5.827,13 6.028,14 3.991,15 4.449,16 2.19,17 2.19,18 31.271,19 1.422,20 0.712,21 0.449,22 1.514,23 0.821,24 3.562,25 4.463,26 3.153,27 5.808,28 3.725,29 0.655,30 0.804,31 91.845,32 173.216,33 4.49,34 200.058,35 479.9,36 4.555,37 523.324,38 31.506,39 3.756,40 348.88,41 10.944,42 1.775,43 21.957,44 4.735,45 1.085,46 3.936,47 0.919,48 47.618,49 3.495,50 4.675,51 8.778,52 16,53 3.34,54 91.009,55 91.009,56 0.704,57 52.087,58 4.88,59 4.598,60 0.174,61 206.045,63 4.624,64 20.242,65 212.8,66 4.292,67 4.702,68 7.981,69 212.8,70 4.022}
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{0 CHEMBL260148,1 2.607,2 0.599,3 180.988,4 -0.988,5 2.063,6 6.396,7 3.255,8 6.247,9 1,10 2.187,11 12.581,12 6.159,13 6.49,14 4.158,15 4.732,16 2.17,17 2.17,18 34.3,19 1.557,20 1.261,21 0.675,22 1.474,23 1.159,24 3.826,25 4.687,26 3.131,27 5.972,28 3.79,29 0.801,30 1.24,31 110.475,32 190.593,33 4.614,34 212.108,35 509.302,36 4.855,37 564.85,38 34.108,39 3.774,40 374.34,41 11.927,42 1.957,43 23.589,44 4.884,45 1.455,46 4.046,47 1.268,48 53.574,49 3.863,50 4.847,51 8.986,52 17.667,53 3.798,54 100.958,55 100.958,56 0.828,57 59.313,58 5.042,59 4.886,60 0.162,61 222.31,63 4.764,64 21.983,65 241.629,66 4.909,67 5.009,68 8.792,69 241.629,70 6}
{0 CHEMBL260192,1 2.002,2 0.815,3 103.814,4 -1.012,5 2.262,6 9.332,7 2.755,8 6.319,9 2,10 1.952,11 10.677,12 6.313,13 6.313,14 4.187,15 5.138,16 2.333,17 2.333,18 37.267,19 1.516,20 1.905,21 1,22 1.614,23 1.844,24 4.196,25 5.206,26 3.307,27 6.325,28 4.163,29 0.877,30 1.934,31 177.898,32 213.665,33 4.773,34 254.548,35 612.857,36 5.131,37 659.255,38 43.25,39 3.591,40 451.3,41 14.133,42 1.744,43 25.48,44 5.074,45 1.791,46 4.249,47 1.774,48 65.767,49 4.245,50 5.432,51 14.191,52 17.333,53 4.262,54 94.324,55 94.324,56 1.258,57 74.062,58 5.303,59 5.355,60 0.113,61 272.288,63 4.936,64 24.012,65 312.626,66 5.214,67 5.361,68 11.482,69 335.91,70 5}
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{0 CHEMBL261208,1 2.324,3 259.361,4 -1.22,5 2.358,6 2.368,7 3.266,8 6.504,10 0.86,11 6.402,12 6.372,13 6.196,14 4.357,15 5.045,16 2.366,17 2.366,18 31.067,19 1.934,20 1.271,21 1.069,22 1.869,23 1.603,24 4.298,25 5.085,26 3.369,27 6.555,28 3.802,29 0.582,30 1.594,31 91.77,32 182.801,33 4.533,34 186.462,35 446.728,36 4.999,37 488.588,38 32.034,39 3.656,40 354.23,41 13.14,42 2.106,43 18.372,44 4.908,45 1.417,46 4.004,47 1.556,48 48.244,49 4.137,50 5.238,51 6.165,52 15.5,53 3.668,54 68.248,55 68.248,56 1.331,57 52.203,58 5.041,59 5.181,60 0.144,61 228.311,63 4.623,64 20.61,65 248.311,66 4.91,67 5.159,68 9.237,69 254.311,70 4.185}
{0 CHEMBL261723,1 2.069,2 1.95,3 141.502,4 -1.907,5 2.375,6 8.44,7 2.766,8 6.388,9 2,10 2.206,11 15.998,12 6.403,13 6.412,14 4.262,15 5.07,16 2.374,17 2.374,18 36.833,19 1.563,20 1.734,21 1.258,22 1.744,23 1.721,24 4.187,25 5.144,26 3.376,27 6.426,28 4.184,29 0.821,30 1.775,31 177.963,32 199.224,33 4.706,34 246.025,35 592.06,36 5.058,37 637.38,38 41.182,39 3.721,40 440.15,41 13.787,42 1.962,43 25.161,44 4.997,45 1.657,46 4.198,47 1.669,48 62.327,49 4.212,50 5.336,51 13.29,52 17.667,53 4.207,54 92.563,55 92.563,56 1.425,57 69.441,58 5.197,59 5.259,60 0.114,61 242.518,62 0.249,63 4.852,64 24.175,65 280.856,66 5.113,67 5.265,68 10.906,69 306.141,70 6.84}
{0 CHEMBL261725,1 2.702,2 1.952,3 126.107,4 -1.676,5 2.373,6 8.664,7 3.044,8 6.338,9 2,10 2.206,11 17.025,12 6.345,13 6.383,14 4.34,15 5.063,16 2.374,17 2.374,18 36.333,19 1.558,20 1.837,21 1.258,22 1.952,23 1.79,24 4.213,25 5.133,26 3.375,27 6.375,28 4.251,29 0.82,30 1.889,31 217.426,32 201.224,33 4.699,34 253.159,35 609.468,36 5.05,37 644.978,38 42.375,39 3.768,40 449.87,41 13.787,42 2.055,43 25.543,44 4.993,45 1.69,46 4.191,47 1.751,48 62.076,49 4.243,50 5.325,51 13.586,52 17.667,53 4.236,54 96.172,55 96.172,56 1.49,57 69.152,58 5.193,59 5.253,60 0.114,61 246.518,62 0.283,63 4.844,64 24.175,65 280.856,66 5.101,67 5.256,68 10.983,69 306.141,70 8.36}
{0 CHEMBL261812,1 2.488,2 0.599,3 105.318,5 2.037,6 6.41,7 3.175,8 5.815,10 2.187,11 12.581,12 5.787,13 6.04,14 3.954,15 4.376,16 2.149,17 2.149,18 29.971,19 1.341,20 0.623,21 0.422,22 1.282,23 0.75,24 3.489,25 4.34,26 3.108,27 5.644,28 3.706,29 0.617,30 0.717,31 89.31,32 162.959,33 4.425,34 190.465,35 456.495,36 4.466,37 497.247,38 29.744,39 3.758,40 331.58,41 10.444,42 1.77,43 20.968,44 4.658,45 1.005,46 3.878,47 0.842,48 44.735,49 3.412,50 4.552,51 8.13,52 15.5,53 3.28,54 86.875,55 86.875,56 0.661,57 48.672,58 4.785,59 4.526,60 0.18,61 187.29,63 4.549,64 19.535,65 194.045,66 4.168,67 4.598,68 7.481,69 194.045,70 4.022}
{0 CHEMBL263133,1 2.75,2 2.123,3 142.437,4 -1.706,5 2.424,6 11.03,7 3.562,8 6.573,9 2,10 2.206,11 24.407,12 6.496,13 6.531,14 4.552,15 5.294,16 2.426,17 2.426,18 45.8,19 2.073,20 2.476,21 1.744,22 2.597,23 2.262,24 4.442,25 5.368,26 3.426,27 6.554,28 4.55,29 1.027,30 2.409,31 269.198,32 253.219,33 4.952,34 317.719,35 766.993,36 5.288,37 802.872,38 53.875,39 3.812,40 565.88,41 17.649,42 2.721,43 32.027,44 5.207,45 2.107,46 4.434,47 2.238,48 78.938,49 4.506,50 5.562,51 17.276,52 21.833,53 4.553,54 118.747,55 118.747,56 1.904,57 88.022,58 5.395,59 5.49,60 0.089,61 332.004,62 0.815,63 5.098,64 30.28,65 388.45,66 5.388,67 5.5,68 14.036,69 420.224,70 7.489}
{0 CHEMBL265957,1 2.078,2 2.243,3 19.889,5 1.512,6 4.81,7 2.983,8 5.108,10 4.017,11 27.082,12 5.53,13 5.45,14 3.627,15 4.136,16 1.799,17 1.799,18 23.833,19 1.06,20 0.554,21 0.491,22 1.534,23 0.763,24 3.341,25 3.884,26 2.667,27 5.066,28 3.283,29 0.537,30 0.627,31 159.785,32 135.758,33 4.221,34 167.216,35 399.767,36 4.305,37 429.322,38 27,39 4.513,40 299.35,41 9.066,42 1.817,43 16.972,44 4.287,45 0.88,46 3.725,47 0.879,48 38.524,49 3.177,50 4.003,51 7.747,52 12.333,53 3.062,54 68.063,55 68.063,56 1,57 42.371,58 4.451,59 4.315,60 0.189,61 163.157,62 0.143,63 4.376,64 16.113,65 167.157,66 3.847,67 4.504,68 6.668,69 167.157,70 4.137}
{0 CHEMBL275938,1 2.634,2 1.437,3 347.13,5 2.032,6 4.366,7 3.267,8 6.626,10 1.437,11 8.62,12 6.116,13 6.149,14 4.182,15 4.828,16 2.037,17 2.037,18 32.8,19 1.886,20 1.281,21 0.947,22 1.981,23 1.315,24 4.155,25 4.863,26 3.04,27 6.449,28 4.215,29 0.52,30 1.315,31 115.448,32 147.61,33 4.342,34 197.532,35 473.738,36 4.793,37 535.385,38 31.42,39 3.617,40 375.07,41 12.069,42 2.101,43 21.868,44 4.645,45 1.063,46 3.945,47 1.252,48 47.131,49 4.157,50 4.983,51 8.497,52 17.833,53 3.992,54 67.194,55 67.194,56 1.338,57 49.791,58 4.733,59 4.98,60 0.139,61 189.749,63 4.39,64 22.87,65 214.379,66 4.931,67 4.929,68 8.517,69 217.133,70 4.415}
{0 CHEMBL299879,1 2.151,3 54.131,4 1.602,5 2.285,6 6.274,7 2.685,8 5.822,10 0.4,11 6.025,12 5.979,13 6.509,14 3.847,15 5.089,16 2.311,17 2.311,18 37.533,19 1.743,20 1.651,21 1,22 1.549,23 1.667,24 4.01,25 5.035,26 3.299,27 5.887,28 3.835,29 0.974,30 1.617,31 116.355,32 215.769,33 4.875,34 248.012,35 596.91,36 5.269,37 616.405,38 42.904,39 3.746,40 438.01,41 14.645,42 1.891,43 24.034,44 5.233,45 2.143,46 4.267,47 1.948,48 65.945,49 4.007,50 5.294,51 10.882,52 16.917,53 4.013,54 103.614,55 103.614,56 1.312,57 74.481,58 5.468,59 5.35,60 0.136,61 285.446,63 5.045,64 23.261,65 330.93,66 5.034,67 5.535,68 11.943,69 348.93,70 4.222}
{0 CHEMBL308954,1 2.402,2 0.86,3 58.884,5 2.152,6 4.426,7 3.157,8 5.714,10 2.035,11 10.659,12 5.779,13 5.753,14 4.313,15 4.564,16 2.245,17 2.245,18 27.333,19 1.742,20 1.105,21 0.981,22 2.114,23 1.191,24 3.833,25 4.442,26 3.211,27 5.693,28 3.967,29 0.641,30 1.039,31 140.551,32 170.045,33 4.308,34 199.057,35 477.458,36 4.517,37 485.355,38 31.648,39 4.057,40 344.53,41 10.66,42 2.147,43 19.639,44 4.526,45 1.162,46 3.868,47 1.17,48 43.585,49 3.78,50 4.59,51 8.272,52 15.333,53 3.635,54 72.778,55 72.778,56 1,57 48.117,58 4.666,59 4.787,60 0.149,61 184.31,63 4.452,64 20.259,65 195.82,66 4.456,67 4.699,68 8.153,69 197.82,70 5.398}
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{0 CHEMBL323975,1 1,3 14.57,5 1.406,6 3.795,7 2.025,8 4.681,10 0.782,11 4.985,12 5.095,13 5.179,14 3.152,15 4.144,16 1.454,17 1.454,18 19.267,19 1,20 0.5,21 -0.861,22 0.951,23 0.784,24 3.22,25 3.882,26 2.426,27 4.872,28 2.756,29 0.489,30 0.606,31 151.901,32 101.65,33 4.02,34 147.963,35 352.791,36 4.256,37 360.603,38 24.233,39 3.076,40 251.93,41 7.184,42 1,43 13.559,44 4.227,45 0.899,46 3.597,47 0.856,48 33.683,49 2.991,50 4.14,51 6.341,52 10.167,53 2.775,54 51.012,55 51.012,56 -0.409,57 37.906,58 4.422,59 4.402,60 0.214,61 115.425,63 4.183,64 13.665,65 135.954,66 3.655,67 4.51,68 5.918,69 150.219,70 5.301}
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{0 CHEMBL399675,1 2.723,2 1.059,3 211.77,4 -1.831,5 2.431,6 9.385,7 3.046,8 6.776,9 2,10 1.958,11 13.322,12 6.452,13 6.666,14 4.465,15 5.261,16 2.447,17 2.447,18 44.762,19 2.143,20 2.849,21 1.587,22 2.535,23 2.315,24 4.422,25 5.348,26 3.441,27 6.653,28 4.677,29 1.091,30 2.577,31 240.298,32 240.737,33 4.869,34 296.934,35 716.279,36 5.233,37 730.434,38 49.773,39 3.775,40 534.63,41 16.762,42 2.592,43 30.68,44 5.192,45 2.338,46 4.354,47 2.297,48 72.869,49 4.523,50 5.545,51 14.568,52 22.083,53 4.596,54 118.563,55 118.563,56 1.723,57 80.662,58 5.387,59 5.458,60 0.108,61 306.647,63 5,64 29.951,65 364.95,66 5.402,67 5.433,68 13.324,69 385.48,70 6.009}
{0 CHEMBL399676,1 2.724,2 1.059,3 138.733,4 -1.554,5 2.465,6 8.905,7 3.216,8 6.642,9 2,10 1.958,11 16.762,12 6.502,13 6.549,14 4.525,15 5.337,16 2.533,17 2.533,18 46.667,19 2.199,20 2.636,21 1.683,22 2.199,23 2.373,24 4.481,25 5.402,26 3.519,27 6.657,28 4.677,29 1.037,30 2.526,31 241.728,32 265.745,33 4.976,34 314.321,35 758.704,36 5.311,37 771.027,38 53.568,39 3.775,40 562.31,41 18.287,42 2.535,43 31.212,44 5.275,45 2.233,46 4.442,47 2.292,48 78.381,49 4.566,50 5.598,51 14.983,52 22.083,53 4.646,54 120.253,55 120.253,56 1.723,57 86.816,58 5.464,59 5.536,60 0.101,61 344.673,62 0.572,63 5.106,64 30.78,65 406.977,66 5.45,67 5.515,68 14.421,69 429.506,70 7.097}
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{0 CHEMBL404954,1 0.909,3 7.213,4 4.15,5 1.188,6 1.482,7 2,8 3.543,9 1,10 0.326,11 8.906,12 4.556,13 4.927,14 2.807,15 3.759,16 1.276,17 1.276,18 15.9,19 0.618,20 0.195,21 -1.618,22 0.469,23 0.532,24 2.632,25 3.025,26 2.224,27 4.022,28 1.094,29 0.395,30 0.297,31 97.994,32 68.994,33 4.179,34 117.437,35 278.306,36 4.214,37 296.378,38 20.841,39 3.353,40 204.95,41 7.626,42 0.618,43 9.616,44 4.558,45 1.057,46 3.495,47 0.807,48 29.549,49 2.249,50 3.196,51 3.462,52 7,53 1.444,54 43.153,55 43.153,56 -1.28,57 33.371,58 4.814,59 4.032,60 0.27,61 101.987,63 4.337,64 9.707,65 129.207,66 2.614,67 4.487,68 5.695,69 133.207,70 4.824}
{0 CHEMBL405110,1 1.514,2 0.8,3 8.55,5 1.574,6 2.58,7 2.895,8 4.651,10 1.072,11 10.844,12 5.031,13 5.205,14 3.225,15 4.212,16 1.792,17 1.792,18 20.867,19 1.211,20 0.554,21 -0.6,22 0.818,23 0.879,24 3.336,25 3.976,26 2.682,27 4.875,28 2.737,29 0.571,30 0.678,31 136.791,32 123.382,33 4.243,34 154.553,35 368.87,36 4.445,37 370.48,38 26.375,39 3.317,40 271.73,41 8.363,42 1.382,43 13.5,44 4.383,45 1.098,46 3.723,47 1.032,48 37.509,49 3.108,50 4.219,51 5.133,52 10.667,53 2.976,54 55.608,55 55.608,56 -0.332,57 42.529,58 4.545,59 4.431,60 0.204,61 142.892,63 4.451,64 14.276,65 164.402,66 3.824,67 4.706,68 6.677,69 164.402,70 4.166}
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{0 CHEMBL409024,1 2.242,3 228.171,4 -1.292,5 1.991,6 5.61,7 3.02,8 6.343,9 1,10 0.159,11 5.066,12 6.171,13 6.176,14 4.225,15 4.727,16 2.255,17 2.255,18 29.171,19 1.425,20 0.976,21 0.256,22 1.412,23 1.141,24 3.917,25 4.756,26 3.166,27 6.155,28 4.268,29 0.548,30 1.103,31 70.569,32 169.648,33 4.325,34 190.336,35 456.179,36 4.685,37 505.761,38 29.983,39 3.365,40 334.35,41 10.315,42 1.831,43 21.032,44 4.661,45 1.059,46 3.847,47 1.109,48 43.64,49 3.854,50 4.915,51 8.172,52 15.75,53 3.692,54 80.968,55 80.968,56 0.398,57 47.103,58 4.794,59 4.888,60 0.168,61 198.868,63 4.412,64 19.646,65 214.477,66 4.717,67 4.839,68 7.433,69 216.477,70 4.114}
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{0 CHEMBL415311,1 0.612,3 20.741,5 0.981,6 4.045,7 2.137,8 4.321,11 3.42,12 4.449,13 4.508,14 2.976,15 3.138,16 1.086,17 1.086,18 14.738,19 -0.183,20 0.166,21 -1.697,22 -0.18,23 0.26,24 2.455,25 3.052,26 2.006,27 4.392,28 2.998,29 0.311,30 0.25,31 93.14,32 70.729,33 3.523,34 113.658,35 269.086,36 3.247,37 285.97,38 16.665,39 3.311,40 192.43,41 5.129,42 -0.005,43 11.555,44 3.708,45 0.467,46 3.156,47 0.293,48 21.68,49 2.377,50 3.198,51 5.383,52 8.333,53 2.115,54 41.832,55 41.832,56 -1.298,57 23.549,58 3.845,59 3.322,60 0.302,61 81.484,63 3.642,64 10.552,65 88.239,66 2.887,67 3.428,68 3.684,69 90.239,70 6.337}
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{0 CHEMBL424886,1 1.063,2 0.782,3 11.556,5 1.242,6 2.635,7 2.798,8 3.951,10 1.71,11 10.885,12 4.769,13 4.773,14 3.037,15 3.792,16 1.275,17 1.275,18 15.533,19 0.43,20 0.26,21 -1.112,22 0.429,23 0.586,24 2.858,25 3.516,26 2.255,27 4.607,28 1.857,29 0.412,30 0.471,31 126.528,32 93.457,33 3.818,34 119.915,35 284.352,36 3.844,37 288.146,38 19.358,39 3.725,40 202.76,41 6.16,42 0.573,43 10.767,44 4.015,45 0.786,46 3.363,47 0.618,48 25.993,49 2.565,50 3.772,51 4.855,52 7.833,53 1.856,54 44.184,55 44.184,56 -0.989,57 28.996,58 4.206,59 4.045,60 0.274,61 106.211,63 3.964,64 10.673,65 114.211,66 3.015,67 4.073,68 4.696,69 116.211,70 5.699}
{0 CHEMBL436227,1 2.684,2 2.026,3 118.776,4 -1.365,5 2.403,6 11.747,7 3.576,8 6.44,9 2,10 2.206,11 21.715,12 6.465,13 6.495,14 4.369,15 5.221,16 2.394,17 2.394,18 40.133,19 2.049,20 2.296,21 1.258,22 1.996,23 1.958,24 4.302,25 5.329,26 3.399,27 6.417,28 4.376,29 0.995,30 2.185,31 194.307,32 247.478,33 4.873,34 276.129,35 665.515,36 5.225,37 745.537,38 46.427,39 3.856,40 492.05,41 14.894,42 2.347,43 28.871,44 5.153,45 1.981,46 4.316,47 1.922,48 71.712,49 4.363,50 5.548,51 14.257,52 19.917,53 4.418,54 110.348,55 110.348,56 1.491,57 81.311,58 5.355,59 5.408,60 0.115,61 334.47,62 0.34,63 5.063,64 25.847,65 366.686,66 5.364,67 5.457,68 11.822,69 369.441,70 7.851}
{0 CHEMBL44,1 1.569,3 39.137,5 1.827,6 2.188,7 2.53,8 4.824,11 1.72,12 5.377,13 5.538,14 3.184,15 3.875,16 2,17 2,18 20.833,19 1.144,20 0.368,21 -0.336,22 0.94,23 0.477,24 3.097,25 3.726,26 2.919,27 5.279,28 2.59,29 0.347,30 0.412,31 88.325,32 92.536,33 3.969,34 129.037,35 306.611,36 4.156,37 334.918,38 21.08,39 2.998,40 232.01,41 8.005,42 1,43 12.721,44 4.26,45 0.705,46 3.564,47 0.629,48 31.055,49 2.908,50 3.861,51 4.667,52 10.667,53 2.603,54 43.774,55 43.774,56 -0.07,57 33.123,58 4.352,59 4.005,60 0.209,61 114.187,63 4.027,64 14.276,65 130.452,66 3.584,67 4.299,68 5.74,69 137.207,70 4.082}
{0 CHEMBL440504,1 0.518,3 14.116,5 1,6 3.677,7 1.323,8 4.013,10 0.782,11 4.985,12 4.95,13 4.868,14 2.974,15 3.978,16 1,17 1,18 15.167,19 -0.064,20 0.242,21 -1.727,22 -0.601,23 0.626,24 2.947,25 3.756,26 2,27 4.746,28 1.792,29 0.405,30 0.488,31 110.16,32 88.798,33 3.781,34 116.177,35 275.233,36 3.92,37 295.319,38 18.472,39 3.125,40 196.61,41 5.137,42 -0.074,43 10.987,44 3.965,45 0.671,46 3.353,47 0.619,48 26.8,49 2.569,50 4.051,51 5.6,52 8,53 1.834,54 42.302,55 42.302,56 -1.415,57 30.491,58 4.201,59 4.254,60 0.3,61 101.263,63 3.974,64 10.389,65 108.872,66 3.202,67 4.166,68 4.407,69 111.627,70 5}
{0 CHEMBL442284,1 2.545,2 1.059,3 133.103,4 -1.516,5 2.511,6 9.162,7 2.913,8 6.614,9 2,10 1.958,11 13.322,12 6.442,13 6.488,14 4.46,15 5.297,16 2.513,17 2.513,18 43.133,19 1.976,20 2.629,21 1.323,22 2.184,23 2.317,24 4.43,25 5.355,26 3.513,27 6.61,28 4.615,29 1.008,30 2.465,31 233.21,32 248.765,33 4.887,34 301.332,35 727.01,36 5.248,37 745.524,38 50.904,39 3.774,40 533.49,41 16.346,42 2.327,43 29.767,44 5.187,45 2.131,46 4.37,47 2.182,48 73.945,49 4.526,50 5.559,51 14.432,52 21.25,53 4.597,54 113.815,55 113.815,56 1.587,57 82.481,58 5.387,59 5.509,60 0.11,61 333.258,63 5.033,64 29.081,65 399.99,66 5.423,67 5.454,68 13.43,69 425.99,70 6.553}
{0 CHEMBL444202,1 1.461,3 9.153,5 1.618,6 2.905,7 2.305,8 4.792,12 5.009,13 5.191,14 2.997,15 3.613,16 1.679,17 1.679,18 21.6,19 1.291,20 0.415,21 -0.481,22 1.041,23 0.449,24 2.845,25 3.505,26 2.644,27 4.812,28 2.99,29 0.481,30 0.398,31 95.088,32 99.399,33 3.993,34 135.702,35 322.874,36 3.875,37 337.951,38 21.671,39 2.954,40 227.59,41 7.83,42 1.323,43 13.277,44 4.178,45 0.793,46 3.602,47 0.565,48 32.04,49 2.869,50 3.663,51 5.73,52 10.5,53 2.959,54 54.303,55 54.303,56 0.083,57 34.867,58 4.334,59 3.792,60 0.2,61 123.929,63 4.097,64 14.656,65 145.58,66 3.57,67 4.105,68 5.963,69 153.58,70 4.167}
{0 CHEMBL451256,1 1.496,3 52.122,5 1.565,6 4.107,7 2.261,8 5.093,11 7.651,12 5.597,13 5.767,14 3.158,15 4.109,16 1.603,17 1.603,18 23.543,19 1.24,20 0.717,21 -0.132,22 0.51,23 0.797,24 3.021,25 3.696,26 2.58,27 4.986,28 3.095,29 0.738,30 0.646,31 95.622,32 119.59,33 4.148,34 140.556,35 334.718,36 4.251,37 349.878,38 22.404,39 2.929,40 247.97,41 8.368,42 1.22,43 15.148,44 4.238,45 1.113,46 3.639,47 0.995,48 35.247,49 2.989,50 3.893,51 6.027,52 11.917,53 3.052,54 58.81,55 58.81,56 -0.02,57 39.504,58 4.429,59 4.38,60 0.204,61 137.099,63 4.324,64 15.458,65 156.709,66 3.823,67 4.511,68 5.999,69 158.709,70 4}
{0 CHEMBL452693,1 1.182,3 55.393,5 1.475,6 4.349,7 2.448,8 5.043,10 0.86,11 9.371,12 5.285,13 5.615,14 3.119,15 3.838,16 1.625,17 1.625,18 23.71,19 1,20 0.621,21 -0.203,22 1,23 0.596,24 2.91,25 3.613,26 2.548,27 4.98,28 3.015,29 0.693,30 0.593,31 97.203,32 117.229,33 4.099,34 134.96,35 321.063,36 4.101,37 338.917,38 21.097,39 2.871,40 239.46,41 8.391,42 1.046,43 15.11,44 4.15,45 0.993,46 3.606,47 0.776,48 33.691,49 2.9,50 3.797,51 6.443,52 11.583,53 2.899,54 61.086,55 61.086,56 0.225,57 37.298,58 4.323,59 4.077,60 0.202,61 134.881,63 4.25,64 15.295,65 142.49,66 3.721,67 4.357,68 5.642,69 142.49,70 4}
{0 CHEMBL452863,1 2.418,2 1.946,3 124.971,4 -1.255,5 2.34,6 8.519,7 2.896,8 6.415,9 3,10 1.966,11 16.14,12 6.555,13 6.507,14 4.356,15 5.42,16 2.372,17 2.372,18 39.533,19 1.97,20 2.403,21 1,22 1.731,23 2.38,24 4.397,25 5.396,26 3.362,27 6.473,28 4.248,29 1.003,30 2.375,31 162.166,32 237.253,33 4.875,34 268.736,35 647.475,36 5.378,37 687.476,38 45.665,39 3.786,40 479.69,41 14.979,42 2.145,43 26.972,44 5.238,45 2.138,46 4.305,47 2.35,48 69.829,49 4.397,50 5.641,51 12.899,52 18.917,53 4.382,54 108.388,55 108.388,56 1.39,57 78.896,58 5.469,59 5.651,60 0.131,61 310.837,62 0.147,63 5.047,64 25.261,65 358.03,66 5.421,67 5.604,68 12.178,69 377.54,70 5}
{0 CHEMBL453633,1 1.434,3 68.991,5 1.489,6 4.412,7 2.567,8 5.13,10 2.612,11 12.875,12 5.32,13 5.695,14 3.169,15 3.679,16 1.633,17 1.633,18 24.676,19 1.017,20 0.606,21 0.235,22 1,23 0.542,24 2.869,25 3.626,26 2.559,27 5.214,28 3.084,29 0.703,30 0.572,31 83.834,32 107.191,33 4.042,34 133.231,35 316.844,36 3.99,37 335.651,38 20.034,39 3.778,40 239.31,41 8.539,42 1.171,43 15.709,44 4.147,45 0.961,46 3.572,47 0.675,48 32.353,49 2.882,50 3.797,51 6.396,52 12.417,53 2.875,54 61.823,55 61.823,56 0.51,57 35.175,58 4.318,59 3.875,60 0.194,61 124.842,63 4.165,64 16.165,65 132.452,66 3.61,67 4.204,68 5.616,69 132.452,70 4}
{0 CHEMBL454688,1 2.416,2 1.946,3 134.242,4 -1.271,5 2.335,6 9.084,7 2.896,8 6.487,9 3,10 1.966,11 16.14,12 6.625,13 6.545,14 4.428,15 5.523,16 2.366,17 2.366,18 40.833,19 1.971,20 2.623,21 1,22 1.75,23 2.645,24 4.493,25 5.501,26 3.356,27 6.559,28 4.34,29 1.042,30 2.603,31 164.7,32 244.491,33 4.917,34 278.328,35 670.88,36 5.439,37 713.553,38 47.427,39 3.786,40 496.99,41 15.479,42 2.149,43 27.956,44 5.281,45 2.217,46 4.343,47 2.519,48 72.712,49 4.479,50 5.752,51 13.62,52 19.417,53 4.469,54 111.747,55 111.747,56 1.516,57 82.311,58 5.517,59 5.757,60 0.128,61 321.089,62 0.147,63 5.093,64 25.968,65 373.328,66 5.509,67 5.666,68 12.678,69 398.347,70 5.699}
{0 CHEMBL455668,1 1.174,3 44.695,5 1.475,6 4.136,7 2.323,8 4.952,11 7.651,12 5.206,13 5.55,14 3.053,15 3.675,16 1.622,17 1.622,18 22.243,19 1,20 0.62,21 -0.445,22 0.51,23 0.582,24 2.847,25 3.63,26 2.547,27 4.94,28 2.936,29 0.703,30 0.581,31 93.088,32 110.809,33 4.056,34 130.964,35 311.312,36 3.996,37 323.801,38 20.642,39 2.75,40 230.67,41 7.968,42 1,43 14.168,44 4.143,45 1.012,46 3.56,47 0.743,48 32.363,49 2.856,50 3.855,51 5.809,52 11.083,53 2.865,54 54.666,55 54.666,56 -0.02,57 36.088,58 4.333,59 3.885,60 0.212,61 128.461,63 4.219,64 14.588,65 136.07,66 3.607,67 4.26,68 5.571,69 136.07,70 4}
{0 CHEMBL455669,1 1.175,3 57.326,5 1.468,6 4.287,7 2.455,8 4.939,11 7.651,12 5.22,13 5.523,14 3.151,15 3.615,16 1.622,17 1.622,18 22.029,19 1,20 0.573,21 -0.442,22 0.51,23 0.533,24 2.806,25 3.469,26 2.545,27 4.891,28 3.029,29 0.658,30 0.54,31 84.578,32 96.59,33 3.966,34 129.705,35 308.239,36 3.839,37 319.127,38 19.739,39 2.943,40 228.58,41 7.968,42 1,43 14.448,44 4.066,45 0.906,46 3.485,47 0.681,48 29.803,49 2.812,50 3.647,51 5.995,52 11.083,53 2.837,54 54.832,55 54.832,56 0.109,57 32.617,58 4.242,59 3.816,60 0.212,61 114.241,63 4.098,64 14.588,65 121.851,66 3.529,67 4.07,68 5.29,69 121.851,70 4.071}
{0 CHEMBL459639,1 1.668,3 39.669,5 2.033,6 4.155,7 2.676,8 5.257,10 1.151,11 5.502,12 5.487,13 5.347,14 3.424,15 4.171,16 2.111,17 2.111,18 25.767,19 1.232,20 0.611,21 0.206,22 1.189,23 0.682,24 3.334,25 4.05,26 3.083,27 5.282,28 3.236,29 0.581,30 0.66,31 100.152,32 142.343,33 4.203,34 156.085,35 372.608,36 4.202,37 382.37,38 24.892,39 3.385,40 264.68,41 9.254,42 1.357,43 16.079,44 4.37,45 0.906,46 3.771,47 0.714,48 38.353,49 3.276,50 4.233,51 7.187,52 12.333,53 3.142,54 66.431,55 66.431,56 0.611,57 41.99,58 4.523,59 4.347,60 0.177,61 165.098,63 4.322,64 16.941,65 180.75,66 4.063,67 4.409,68 6.756,69 180.75,70 4}
{0 CHEMBL460048,1 0.909,3 25.442,5 1.242,6 2.533,7 2.271,8 4.432,11 3.42,12 4.827,13 4.816,14 2.93,15 3.386,16 1.267,17 1.267,18 17.1,19 0.667,20 0.247,21 -1.25,22 0.116,23 0.338,24 2.542,25 3.174,26 2.249,27 4.591,28 2.65,29 0.397,30 0.308,31 90.427,32 86.532,33 3.702,34 108.253,35 255.897,36 3.458,37 265.873,38 16.347,39 3.379,40 175.69,41 5.892,42 0.674,43 10.943,44 3.816,45 0.583,46 3.328,47 0.367,48 24.124,49 2.414,50 3.336,51 4.526,52 8.667,53 2.2,54 46.781,55 46.781,56 -0.93,57 26.246,58 3.965,59 3.576,60 0.27,61 97.287,63 3.817,64 11.544,65 102.042,66 3.121,67 3.638,68 4.171,69 102.042,70 4}
{0 CHEMBL460049,1 1.324,3 18.692,5 1.407,6 3.573,7 2.271,8 4.706,10 0.554,11 4.587,12 5.053,13 5.115,14 3.131,15 3.709,16 1.462,17 1.462,18 20.4,19 1,20 0.422,21 -0.674,22 0.835,23 0.498,24 2.861,25 3.57,26 2.427,27 4.777,28 2.987,29 0.49,30 0.451,31 117.775,32 118.8,33 3.959,34 134.102,35 318.97,36 3.826,37 337.191,38 20.869,39 3.379,40 224.95,41 7.138,42 0.925,43 13.61,44 4.106,45 0.766,46 3.546,47 0.556,48 30.891,49 2.796,50 3.772,51 6.378,52 10.167,53 2.777,54 57.49,55 57.49,56 -0.426,57 34.076,58 4.295,59 3.903,60 0.23,61 138.452,63 4.104,64 13.665,65 143.207,66 3.535,67 4.035,68 5.292,69 143.207,70 4}
{0 CHEMBL460050,1 1.529,3 19.672,5 1.799,6 3.665,7 2.555,8 4.827,10 0.142,11 3.759,12 5.192,13 5.241,14 3.368,15 3.873,16 1.857,17 1.857,18 22.5,19 1.238,20 0.5,21 0.056,22 1,23 0.636,24 3.069,25 3.688,26 2.828,27 4.925,28 3.168,29 0.54,30 0.547,31 140.565,32 111.936,33 4.067,34 149.631,35 356.86,36 3.973,37 359.98,38 23.869,39 3.379,40 248.31,41 8.376,42 1.324,43 14.593,44 4.247,45 0.925,46 3.655,47 0.71,48 33.891,49 2.985,50 3.865,51 6.617,52 11,53 2.99,54 61.499,55 61.499,56 0.281,57 37.076,58 4.422,59 4.07,60 0.192,61 135.71,63 4.185,64 15.364,65 155.71,66 3.671,67 4.168,68 6.286,69 158.465,70 4.108}
{0 CHEMBL462539,1 1.51,3 60.035,5 1.775,6 4.521,7 2.497,8 5.008,11 7.651,12 5.598,13 5.697,14 3.25,15 4.016,16 1.976,17 1.976,18 23.329,19 1.023,20 0.637,21 -0.131,22 0.51,23 0.739,24 2.976,25 3.556,26 2.915,27 4.944,28 3.126,29 0.693,30 0.584,31 87.112,32 112.951,33 4.067,34 139.297,35 331.645,36 4.03,37 345.203,38 21.5,39 2.943,40 245.88,41 8.385,42 1,43 15.428,44 4.168,45 0.992,46 3.57,47 0.908,48 32.687,49 2.911,50 3.726,51 6.211,52 11.917,53 2.972,54 59.5,55 59.5,56 0.11,57 36.032,58 4.346,59 4.264,60 0.204,61 126.461,63 4.216,64 15.458,65 136.07,66 3.681,67 4.249,68 5.712,69 136.07,70 4}
{0 CHEMBL470290,1 1.758,3 9.224,5 1.806,6 3.347,7 2.468,8 4.747,12 5.089,13 5.15,14 3.331,15 3.604,16 1.861,17 1.861,18 22.067,19 1.207,20 0.403,21 -0.154,22 1.137,23 0.444,24 2.89,25 3.533,26 2.833,27 4.867,28 3.249,29 0.469,30 0.406,31 88.667,32 108.07,33 4.001,34 147.616,35 351.944,36 3.839,37 365.713,38 23.023,39 3.175,40 246.87,41 8.234,42 1.339,43 14.693,44 4.193,45 0.786,46 3.608,47 0.554,48 32.269,49 2.914,50 3.704,51 6.258,52 11.333,53 2.995,54 58.993,55 58.993,56 0.106,57 34.709,58 4.325,59 3.746,60 0.192,61 128.07,63 4.092,64 15.527,65 145.58,66 3.551,67 4.044,68 6.111,69 149.58,70 4.137}
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{0 CHEMBL567323,1 2.189,2 0.313,3 92.689,5 2.286,6 6.014,7 2.78,8 5.917,10 1.622,11 7.992,12 6.266,13 6.244,14 4.077,15 4.7,16 2.307,17 2.307,18 34.067,19 1.869,20 1.108,21 0.814,22 1.717,23 1.165,24 3.873,25 4.726,26 3.303,27 6.066,28 3.885,29 0.759,30 1.177,31 146.222,32 197.614,33 4.569,34 216.247,35 519.402,36 4.782,37 539.222,38 35.244,39 3.723,40 379.93,41 12.075,42 2.045,43 22.693,44 4.748,45 1.343,46 4.062,47 1.245,48 53.298,49 3.831,50 4.897,51 9.436,52 17.25,53 3.766,54 91.681,55 91.681,56 1.22,57 58.408,58 4.883,59 4.838,60 0.147,61 235.894,63 4.699,64 22.596,65 270.158,66 4.645,67 4.936,68 9.213,69 278.158,70 4.373}
{0 CHEMBL567335,1 2.24,2 0.678,3 84.635,5 2.22,6 3.863,7 2.85,8 6.043,10 1.953,11 10.276,12 6.071,13 6.303,14 4.052,15 4.787,16 2.26,17 2.26,18 32.433,19 1.721,20 1.212,21 1.065,22 1.704,23 1.331,24 4.011,25 4.772,26 3.245,27 6.034,28 3.929,29 0.652,30 1.319,31 174.266,32 164.832,33 4.527,34 209.126,35 502.027,36 4.791,37 497.219,38 35.375,39 3.588,40 367.29,41 13.254,42 1.805,43 20.215,44 4.762,45 1.307,46 4.052,47 1.288,48 50.909,49 3.963,50 4.953,51 8.439,52 15.667,53 3.882,54 77.428,55 77.428,56 1.178,57 55.365,58 4.909,59 4.937,60 0.129,61 194.89,63 4.628,64 22.079,65 234.193,66 4.717,67 4.913,68 9.823,69 256.193,70 4.572}
{0 CHEMBL567337,1 1.677,3 34.623,5 1.972,6 3.98,7 2.63,8 5.28,10 0.4,11 2.917,12 5.364,13 5.778,14 3.755,15 4.371,16 2.196,17 2.196,18 28.3,19 1.48,20 0.724,21 0.618,22 1,23 1.008,24 3.6,25 4.339,26 3.121,27 5.743,28 3.694,29 0.672,30 0.936,31 163.856,32 166.705,33 4.455,34 196.204,35 470.498,36 4.51,37 457.966,38 32.654,39 3.571,40 331.6,41 11.352,42 1.504,43 18.727,44 4.654,45 1.363,46 3.911,47 1.083,48 44.702,49 3.484,50 4.545,51 7.781,52 13.583,53 3.362,54 81.405,55 81.405,56 0.744,57 48.79,58 4.825,59 4.562,60 0.164,61 196.705,63 4.575,64 18.855,65 210.215,66 4.101,67 4.669,68 8.629,69 210.215,70 4.572}
{0 CHEMBL567340,1 2.166,2 0.4,3 126.938,4 -2.643,5 1.711,6 4.731,7 2.881,8 5.87,10 1.51,11 8.689,12 5.643,13 5.753,14 3.581,15 3.948,16 1.977,17 1.977,18 24.657,19 1.579,20 0.813,21 0.144,22 0.984,23 0.95,24 3.233,25 3.948,26 2.856,27 5.732,28 3.387,29 0.789,30 0.988,31 82.376,32 118.187,33 4.048,34 133.231,35 316.844,36 4.044,37 330.28,38 20.068,39 3.23,40 238.8,41 8.799,42 1.881,43 15.785,44 4.227,45 1.018,46 3.567,47 0.868,48 32.312,49 3.152,50 4.135,51 6.909,52 12.333,53 2.923,54 56.677,55 56.677,56 0.159,57 35.594,58 4.434,59 4.121,60 0.186,61 130.452,63 4.206,64 16.113,65 135.207,66 3.82,67 4.241,68 5.675,69 135.207,70 7.602}
{0 CHEMBL567341,1 2.088,3 61.972,5 1.778,6 2.717,7 2.621,8 5.582,10 0.4,11 4.869,12 5.582,13 5.526,14 3.591,15 4.061,16 1.897,17 1.897,18 23.029,19 1.308,20 0.85,21 0.103,22 1.124,23 0.95,24 3.391,25 4.057,26 2.84,27 5.595,28 3.299,29 0.692,30 0.948,31 94.094,32 126.881,33 4.099,34 139.699,35 332.625,36 4.186,37 331.28,38 22.193,39 3.244,40 235.36,41 8.506,42 1.519,43 14.22,44 4.289,45 1.175,46 3.622,47 0.974,48 33.287,49 3.258,50 4.262,51 5.574,52 11.667,53 2.973,54 55.968,55 55.968,56 0.159,57 36.915,58 4.488,59 4.24,60 0.193,61 142.49,63 4.264,64 15.69,65 145.245,66 3.859,67 4.396,68 6.317,69 145.245,70 8}
{0 CHEMBL567354,1 1,2 0.4,3 15.569,5 1.369,6 2.822,7 2.176,8 4.628,10 0.4,11 5.669,12 4.981,13 5.129,14 2.963,15 3.728,16 1.4,17 1.4,18 17.3,19 0.439,20 0.343,21 -1,22 0.154,23 0.53,24 2.957,25 3.606,26 2.38,27 4.87,28 2.346,29 0.467,30 0.452,31 81.262,32 91.653,33 3.836,34 118.846,35 281.744,36 3.808,37 292.868,38 18.557,39 2.938,40 197.22,41 6.394,42 0.714,43 11.157,44 3.964,45 0.689,46 3.417,47 0.585,48 27.378,49 2.8,50 3.838,51 5.131,52 8.833,53 2.49,54 41.599,55 41.599,56 -0.766,57 30.82,58 4.186,59 3.952,60 0.236,61 103.263,63 4.027,64 12.088,65 112.872,66 3.406,67 4.034,68 4.882,69 115.627,70 5.9}
{0 CHEMBL567356,1 1.875,2 0.86,3 61.193,5 2.118,6 5.635,7 2.92,8 5.836,10 1.622,11 9.712,12 5.684,13 5.99,14 3.767,15 4.471,16 2.19,17 2.19,18 31.833,19 1.616,20 0.879,21 1,22 1.701,23 1.012,24 3.717,25 4.458,26 3.162,27 5.805,28 3.731,29 0.657,30 0.957,31 175.625,32 151.472,33 4.459,34 204.129,35 489.834,36 4.501,37 497.096,38 33.619,39 3.553,40 356.05,41 12.378,42 1.737,43 20.479,44 4.652,45 1.155,46 4.003,47 1.003,48 49.127,49 3.658,50 4.625,51 9.807,52 15.167,53 3.565,54 78.185,55 78.185,56 1.144,57 53.448,58 4.805,59 4.643,60 0.126,61 181.614,63 4.559,64 21.468,65 224.162,66 4.425,67 4.632,68 9.199,69 245.323,70 4.572}
{0 CHEMBL567529,1 1.921,3 39.726,4 -0.997,5 1.743,6 2.508,7 3.132,8 5.304,10 1.179,11 8.148,12 5.799,13 5.705,14 3.95,15 4.328,16 1.887,17 1.887,18 24.019,19 1.452,20 0.698,21 0.788,22 1.541,23 0.874,24 3.66,25 4.179,26 2.821,27 5.554,28 3.545,29 0.468,30 0.775,31 152.013,32 136.75,33 4.231,34 175.093,35 418.987,36 4.375,37 407.304,38 28.784,39 3.683,40 290.69,41 9.725,42 1.669,43 16.111,44 4.445,45 1.018,46 3.738,47 0.926,48 37.451,49 3.561,50 4.332,51 6.165,52 12.833,53 3.381,54 64.265,55 64.265,56 1.089,57 40.644,58 4.578,59 4.486,60 0.168,61 155.995,63 4.345,64 17.552,65 179.995,66 4.033,67 4.527,68 7.673,69 187.995,70 4.572}
{0 CHEMBL567531,1 1.992,2 1.392,3 65.999,5 2.309,6 4.439,7 2.995,8 5.853,10 1.623,11 12.758,12 5.976,13 6.076,14 3.986,15 4.662,16 2.36,17 2.36,18 33.2,19 1.773,20 1.01,21 1.183,22 1.795,23 1.101,24 3.872,25 4.671,26 3.343,27 5.96,28 3.763,29 0.662,30 1.127,31 161.527,32 186.655,33 4.571,34 206.457,35 495.515,36 4.728,37 489.229,38 34.83,39 3.556,40 361.42,41 13.42,42 1.877,43 20.399,44 4.722,45 1.259,46 4.061,47 1.216,48 51.236,49 3.806,50 4.834,51 8.927,52 15.333,53 3.675,54 79.585,55 79.585,56 1.401,57 55.575,58 4.866,59 4.8,60 0.128,61 236.974,62 0.189,63 4.671,64 21.916,65 272.193,66 4.558,67 4.892,68 9.739,69 276.193,70 4.373}
{0 CHEMBL567735,1 1.461,3 16.685,5 1.554,6 2.914,7 2.507,8 4.897,11 3.349,12 4.875,13 5.207,14 3.556,15 3.752,16 1.698,17 1.698,18 21.333,19 1,20 0.364,21 -0.111,22 1,23 0.456,24 3.044,25 3.659,26 2.648,27 5.046,28 3.442,29 0.395,30 0.396,31 99.418,32 109.432,33 4.026,34 140.951,35 335.681,36 3.963,37 343.081,38 22.227,39 3.075,40 236.3,41 8.274,42 1.064,43 14.046,44 4.061,45 0.63,46 3.573,47 0.578,48 31.276,49 2.945,50 3.797,51 5.836,52 10.833,53 2.902,54 55.374,55 55.374,56 -0.067,57 33.337,58 4.169,59 3.916,60 0.191,61 118.942,63 4.109,64 14.82,65 130.452,66 3.567,67 4.104,68 5.864,69 134.452,70 4.373}
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{0 CHEMBL567783,1 2.036,2 0.4,3 55.957,4 0.296,5 1.849,6 4.167,7 2.743,8 5.509,9 1,10 2.035,11 10.894,12 5.527,13 5.698,14 3.599,15 4.254,16 1.984,17 1.984,18 25.633,19 1.299,20 0.768,21 0.157,22 1.213,23 0.889,24 3.514,25 4.255,26 2.919,27 5.671,28 3.382,29 0.657,30 0.881,31 76.284,32 140.846,33 4.306,34 161.681,35 386.262,36 4.315,37 403.163,38 25.995,39 3.78,40 280,41 9.98,42 1.705,43 16.104,44 4.573,45 1.106,46 3.794,47 0.912,48 39.902,49 3.477,50 4.449,51 7.204,52 12.333,53 3.33,54 67.272,55 67.272,56 0.618,57 44.568,58 4.82,59 4.444,60 0.165,61 164.131,63 4.475,64 16.941,65 182.131,66 4.202,67 4.529,68 7.45,69 184.131,70 7.201}
{0 CHEMBL567784,1 1.916,2 0.4,3 59.553,4 0.33,5 1.827,6 3.837,7 2.659,8 5.514,9 1,10 0.4,11 5.669,12 5.464,13 5.494,14 3.539,15 4.15,16 1.97,17 1.97,18 23.414,19 1.167,20 0.829,21 0.006,22 1.206,23 0.923,24 3.441,25 4.173,26 2.901,27 5.422,28 3.238,29 0.682,30 0.91,31 82.649,32 131.466,33 4.253,34 151.02,35 360.249,36 4.212,37 368.071,38 24.779,39 3.025,40 260.13,41 9.41,42 1.251,43 14.531,44 4.53,45 1.157,46 3.729,47 0.923,48 37.542,49 3.401,50 4.379,51 6.574,52 11,53 3.21,54 60.033,55 60.033,56 0.147,57 42.406,58 4.79,59 4.351,60 0.178,61 154.75,63 4.436,64 15.364,65 172.75,66 4.135,67 4.444,68 7.068,69 172.75,70 7.102}
{0 CHEMBL567785,1 1.918,2 0.4,3 46.485,4 0.368,5 1.807,6 3.999,7 2.663,8 5.38,9 1,10 0.4,11 5.669,12 5.36,13 5.433,14 3.627,15 4.143,16 1.97,17 1.97,18 22.986,19 1.141,20 0.695,21 0.006,22 1.206,23 0.82,24 3.463,25 4.167,26 2.898,27 5.363,28 3.403,29 0.603,30 0.819,31 77.028,32 131.466,33 4.248,34 158.155,35 377.658,36 4.203,37 386.639,38 25.699,39 3.033,40 269.27,41 9.41,42 1.252,43 14.867,44 4.522,45 1.05,46 3.725,47 0.851,48 37.353,49 3.43,50 4.369,51 6.806,52 11,53 3.255,54 60.033,55 60.033,56 0.149,57 42.01,58 4.775,59 4.338,60 0.178,61 154.75,63 4.426,64 15.364,65 172.75,66 4.125,67 4.428,68 7.124,69 172.75,70 7.102}
{0 CHEMBL567786,1 2.251,2 0.4,3 122.296,4 -2.639,5 1.838,6 3.262,7 3.07,8 5.87,10 1.51,11 7.889,12 6.026,13 5.825,14 3.87,15 4.237,16 2.135,17 2.135,18 26.057,19 1.607,20 0.855,21 0.242,22 1.225,23 1.332,24 3.483,25 4.071,26 3.009,27 5.837,28 3.387,29 0.853,30 1.152,31 93.384,32 131.735,33 4.151,34 142.095,35 338.472,36 4.269,37 336.948,38 22.068,39 3.328,40 247.5,41 9.657,42 1.972,43 16.017,44 4.33,45 1.277,46 3.649,47 1.296,48 34.312,49 3.238,50 4.263,51 6.332,52 13,53 2.923,54 59.187,55 59.187,56 0.51,57 37.594,58 4.519,59 4.407,60 0.18,61 145.245,63 4.298,64 17.267,65 148,66 3.82,67 4.45,68 6.407,69 148,70 7.301}
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{0 CHEMBL88307,1 1.055,2 0.142,3 15.751,5 1.099,6 4.431,7 1.809,8 4.523,10 0.782,11 5.323,12 4.989,13 4.987,14 3.611,15 4.047,16 1.128,17 1.128,18 16.933,19 0.241,20 0.414,21 -1.137,22 0.18,23 0.677,24 3.164,25 3.908,26 2.117,27 4.844,28 3.533,29 0.437,30 0.587,31 112.135,32 105.207,33 3.919,34 137.683,35 327.708,36 4.045,37 351.904,38 21.586,39 3.166,40 233.19,41 5.954,42 0.362,43 13.455,44 4.081,45 0.743,46 3.457,47 0.691,48 29.913,49 2.962,50 4.137,51 6.862,52 9.333,53 2.601,54 51.095,55 51.095,56 -0.974,57 33.748,58 4.299,59 4.288,60 0.265,61 127.697,63 4.119,64 11.966,65 135.697,66 3.671,67 4.287,68 5.001,69 135.697,70 5}
{0 CHEMBL88354,1 1.093,2 0.782,3 155.977,5 1.217,6 4.248,7 2.232,8 5.332,10 1.6,11 12.415,12 5.702,13 5.529,14 3.338,15 4.225,16 1.281,17 1.281,18 21.51,19 0.67,20 0.45,21 -0.64,22 0.51,23 0.773,24 3.135,25 4.133,26 2.244,27 5.7,28 2.57,29 0.642,30 0.65,31 70.428,32 110.087,33 4.012,34 122.23,35 290,36 4.158,37 313.842,38 18.853,39 3.468,40 222.4,41 7.085,42 0.51,43 14.36,44 4.138,45 0.979,46 3.505,47 0.934,48 31.472,49 2.858,50 4.387,51 5.762,52 11.083,53 2.361,54 56.624,55 56.624,56 -0.428,57 35.215,58 4.338,59 4.468,60 0.249,61 125.697,63 4.18,64 13.759,65 133.697,66 3.834,67 4.372,68 5.009,69 133.697,70 5}
{0 CHEMBL88586,1 0.453,3 35.018,5 1.105,6 3.795,7 1.813,8 4.627,10 0.782,11 4.765,12 5.227,13 5.047,14 3.092,15 4.024,16 1.122,17 1.122,18 16.752,19 -0.066,20 0.166,21 -1.418,22 -0.092,23 0.494,24 2.959,25 3.828,26 2.115,27 5.07,28 2.451,29 0.388,30 0.339,31 62.983,32 96.017,33 3.808,34 117.375,35 278.156,36 3.95,37 300.665,38 18.137,39 3.163,40 202.1,41 5.547,42 0.208,43 11.852,44 4.007,45 0.577,46 3.373,47 0.544,48 27.374,49 2.579,50 4.085,51 5.609,52 8.833,53 1.91,54 47.388,55 47.388,56 -1.132,57 30.724,58 4.218,59 4.272,60 0.283,61 111.627,63 3.986,64 11.259,65 119.627,66 3.262,67 4.172,68 4.487,69 119.627,70 5}
{0 CHEMBL88734,1 0.226,3 11.733,5 1.071,6 3.985,7 1.779,8 4.079,10 0.782,11 4.985,12 4.734,13 4.757,14 3.156,15 3.625,16 1.098,17 1.098,18 14.333,19 -0.211,20 0.193,21 -1.719,22 -0.406,23 0.458,24 2.714,25 3.352,26 2.081,27 4.373,28 3.439,29 0.359,30 0.335,31 101.204,32 84.529,33 3.655,34 118.499,35 280.897,36 3.734,37 297.004,38 18.063,39 3.116,40 198.59,41 5.124,42 0.179,43 11.464,44 3.814,45 0.594,46 3.256,47 0.498,48 24.145,49 2.399,50 3.623,51 5.315,52 8.333,53 2.032,54 43.536,55 43.536,56 -1.36,57 26.917,58 3.992,59 3.845,60 0.302,61 95.284,63 3.82,64 10.552,65 103.284,66 2.839,67 3.977,68 3.994,69 103.284,70 6.699}
{0 CHEMBL88782,1 1.037,3 20.824,5 1.299,6 3.608,7 2.368,8 4.564,11 3.2,12 5.06,13 5.048,14 3.178,15 3.732,16 1.402,17 1.402,18 19.019,19 0.893,20 0.302,21 -0.98,22 0.546,23 0.433,24 2.946,25 3.582,26 2.36,27 4.861,28 2.632,29 0.411,30 0.38,31 87.765,32 92.69,33 3.869,34 127.308,35 302.392,36 3.818,37 311.412,38 19.83,39 3.043,40 216.95,41 6.893,42 0.684,43 12.672,44 4.042,45 0.598,46 3.464,47 0.481,48 28.818,49 2.674,50 3.787,51 5.709,52 9.667,53 2.419,54 51.612,55 51.612,56 -0.673,57 31.519,58 4.198,59 3.911,60 0.228,61 115.096,63 3.983,64 12.958,65 130.606,66 3.344,67 3.98,68 5.039,69 132.606,70 5}
{0 CHEMBL89915,1 1.171,2 0.782,3 21.354,5 1.618,6 3.69,7 2.555,8 4.915,10 0.86,11 6.705,12 5.35,13 5.332,14 3.452,15 4.377,16 1.618,17 1.618,18 21.333,19 0.745,20 0.639,21 -0.618,22 0.695,23 0.956,24 3.453,25 4.259,26 2.618,27 5.237,28 2.95,29 0.535,30 0.868,31 140.909,32 130.975,33 4.156,34 154.887,35 369.684,36 4.424,37 384.152,38 25.449,39 3.171,40 263.36,41 7.617,42 1.092,43 14.753,44 4.325,45 0.964,46 3.689,47 0.989,48 36.894,49 3.255,50 4.513,51 6.68,52 11,53 2.931,54 59.905,55 59.905,56 -0.211,57 41.531,58 4.511,59 4.622,60 0.213,61 159.73,63 4.328,64 14.535,65 177.24,66 4.059,67 4.669,68 6.293,69 179.24,70 5}
{0 CHEMBL89973,1 1.529,2 1.71,3 138.402,5 1.594,6 5.087,7 3.066,8 5.175,10 3.825,11 20.286,12 6.877,13 5.838,14 4.105,15 4.421,16 1.833,17 1.833,18 25.552,19 1.141,20 0.665,21 0.225,22 0.51,23 2.052,24 3.31,25 4.145,26 2.731,27 5.821,28 3.147,29 0.94,30 0.54,31 110.563,32 108.677,33 4.092,34 132.959,35 316.179,36 4.215,37 338.399,38 19.858,39 4.439,40 250.33,41 8.616,42 0.962,43 17.571,44 4.133,45 1.452,46 3.543,47 1.713,48 32.76,49 2.867,50 4.413,51 6.103,52 13.667,53 2.595,54 60.359,55 60.359,56 0.51,57 35.944,58 4.271,59 4.601,60 0.218,61 114.187,63 4.23,64 16.422,65 116.942,66 3.52,67 4.386,68 5.15,69 116.942,70 7.222}
{0 CHEMBL89974,1 1.535,2 1.6,3 355.107,5 1.675,6 5.115,7 3.122,8 5.843,10 3.825,11 20.066,12 6.915,13 5.927,14 4.151,15 4.617,16 1.879,17 1.879,18 27.352,19 1.157,20 0.534,21 0.453,22 0.51,23 2.04,24 3.477,25 4.386,26 2.797,27 6.115,28 3.077,29 0.94,30 0.817,31 71.897,32 121.081,33 4.191,34 135.416,35 322.176,36 4.35,37 348.42,38 20.426,39 4.439,40 257.91,41 9.04,42 1.114,43 18.154,44 4.271,45 1.488,46 3.629,47 1.738,48 35.894,49 3.152,50 4.615,51 6.472,52 14.167,53 2.752,54 65.127,55 65.127,56 0.51,57 39.649,58 4.442,59 4.82,60 0.208,61 131.445,63 4.341,64 17.129,65 134.2,66 4.208,67 4.515,68 5.661,69 134.2,70 5}
{0 CHEMBL89990,1 0.225,3 8.942,5 0.594,6 3.704,7 1.698,8 3.666,10 0.782,11 4.985,12 4.541,13 4.555,14 3.339,15 3.397,16 0.704,17 0.704,18 13.3,19 -0.338,20 0.118,21 -1.867,22 -0.407,23 0.399,24 2.573,25 3.04,26 1.591,27 4.102,28 3.303,29 0.335,30 0.261,31 109.875,32 78.729,33 3.532,34 113.372,35 268.389,36 3.501,37 282.133,38 16.949,39 3.14,40 185.14,41 4.79,42 -0.073,43 11.077,44 3.582,45 0.527,46 3.145,47 0.421,48 21.338,49 2.19,50 3.276,51 5.024,52 7.833,53 1.651,54 41.832,55 41.832,56 -1.675,57 23.422,58 3.738,59 3.591,60 0.327,61 83.484,63 3.675,64 9.845,65 85.484,66 2.422,67 3.714,68 3.564,69 85.484,70 5.42}
{0 CHEMBL90023,1 0.55,3 14.998,5 1,6 4.178,7 1.855,8 4.138,10 0.782,11 4.985,12 4.99,13 4.879,14 3.521,15 3.987,16 1,17 1,18 15.633,19 0.053,20 0.255,21 -1.418,22 -0.115,23 0.64,24 3.038,25 3.777,26 2,27 4.826,28 2.693,29 0.397,30 0.507,31 103.739,32 96.017,33 3.791,34 128.091,35 304.302,36 3.925,37 323.081,38 19.824,39 3.143,40 215.89,41 5.541,42 0.369,43 12.459,44 3.982,45 0.678,46 3.361,47 0.627,48 27.029,49 2.734,50 4.038,51 6.078,52 8.833,53 2.124,54 47.388,55 47.388,56 -1.005,57 30.333,58 4.19,59 4.249,60 0.282,61 107.627,63 3.968,64 11.259,65 111.627,66 3.245,67 4.163,68 4.555,69 111.627,70 5}
{0 CHEMBL90060,1 1,3 12.367,5 1.281,6 3.928,7 2.402,8 4.374,11 3.42,12 4.897,13 4.861,14 3.596,15 3.708,16 1.397,17 1.397,18 17.9,19 0.888,20 0.355,21 -1,22 0.618,23 0.478,24 2.982,25 3.563,26 2.349,27 4.725,28 2.938,29 0.406,30 0.439,31 128.52,32 92.69,33 3.853,34 138.024,35 328.538,36 3.789,37 333.827,38 21.517,39 2.99,40 230.74,41 6.887,42 0.744,43 13.267,44 4.017,45 0.672,46 3.453,47 0.524,48 28.473,49 2.824,50 3.757,51 6.132,52 9.667,53 2.508,54 53.612,55 53.612,56 -0.824,57 31.127,58 4.17,59 3.895,60 0.227,61 111.096,63 3.965,64 12.958,65 122.606,66 3.318,67 3.969,68 5.108,69 124.606,70 6.553}
{0 CHEMBL90181,1 0.226,3 14.261,5 0.602,6 3.58,7 1.708,8 3.902,10 0.782,11 4.985,12 4.618,13 4.624,14 3.133,15 3.409,16 0.704,17 0.704,18 13.919,19 -0.411,20 0.101,21 -1.867,22 -0.407,23 0.377,24 2.55,25 3.049,26 1.594,27 4.16,28 2.565,29 0.336,30 0.248,31 110.321,32 78.729,33 3.538,34 109.791,35 259.651,36 3.508,37 275.773,38 16.455,39 3.149,40 181.07,41 4.79,42 -0.046,43 10.883,44 3.59,45 0.509,46 3.149,47 0.407,48 21.433,49 2.161,50 3.284,51 4.88,52 7.833,53 1.574,54 41.832,55 41.832,56 -1.673,57 23.525,58 3.746,59 3.604,60 0.327,61 83.484,63 3.68,64 9.845,65 85.484,66 2.44,67 3.719,68 3.545,69 85.484,70 5.721}
{0 CHEMBL90197,1 0.97,2 0.142,3 17.938,5 1.134,6 2.41,7 2.148,8 4.256,10 0.782,11 5.323,12 4.639,13 4.821,14 3.045,15 3.614,16 1.191,17 1.191,18 15.652,19 0.628,20 0.186,21 -1.308,22 0.207,23 0.399,24 2.734,25 3.277,26 2.16,27 4.431,28 2.83,29 0.384,30 0.306,31 97.465,32 90.096,33 3.812,34 117.117,35 277.525,36 3.833,37 283.344,38 18.568,39 3.204,40 199.46,41 6.178,42 0.231,43 10.704,44 4.014,45 0.694,46 3.334,47 0.535,48 25.24,49 2.413,50 3.489,51 4.368,52 8.167,53 1.99,54 44.903,55 44.903,56 -1.121,57 28.02,58 4.216,59 3.857,60 0.269,61 102.096,63 3.968,64 10.836,65 110.096,66 2.902,67 4.07,68 4.588,69 110.096,70 6.569}
{0 CHEMBL90235,1 0.368,3 13.892,5 1.086,6 3.468,7 1.648,8 3.962,10 0.782,11 4.985,12 4.707,13 4.845,14 2.849,15 3.618,16 1.12,17 1.12,18 14.952,19 -0.18,20 0.183,21 -1.711,22 -0.406,23 0.442,24 2.677,25 3.362,26 2.096,27 4.609,28 1.859,29 0.358,30 0.308,31 101.65,32 84.529,33 3.659,34 114.918,35 272.159,36 3.755,37 290.644,38 17.568,39 3.278,40 194.52,41 5.102,42 0.199,43 11.271,44 3.823,45 0.568,46 3.26,47 0.468,48 24.24,49 2.428,50 3.629,51 5.169,52 8.333,53 1.803,54 43.536,55 43.536,56 -1.354,57 27.02,58 4,59 3.859,60 0.309,61 93.284,63 3.824,64 10.552,65 101.284,66 2.845,67 3.981,68 3.982,69 103.284,70 5}
{0 CHEMBL90250,1 0.588,3 26.003,5 1.176,6 4.114,7 2.566,8 4.339,10 0.782,11 4.985,12 5.124,13 5.045,14 3.388,15 4.019,16 1.268,17 1.268,18 17.338,19 0.153,20 0.22,21 -1.177,22 0.256,23 0.596,24 3.1,25 3.802,26 2.227,27 5.054,28 2.334,29 0.386,30 0.458,31 98.209,32 98.508,33 3.81,34 132.843,35 315.897,36 3.958,37 338.123,38 20.188,39 3.343,40 227.03,41 5.936,42 0.43,43 13.545,44 4.012,45 0.63,46 3.376,47 0.589,48 27.447,49 2.806,50 4.044,51 6.274,52 9.667,53 2.127,54 50.354,55 50.354,56 -1,57 30.379,58 4.194,59 4.247,60 0.273,61 112.872,63 3.97,64 12.129,65 119.627,66 3.286,67 4.16,68 4.672,69 119.627,70 5}
{0 CHEMBL90311,1 0.685,3 67.223,5 1.097,6 4.016,7 1.903,8 5.442,10 1.71,11 11.07,12 5.005,13 5.573,14 2.976,15 3.443,16 1.165,17 1.165,18 18.41,19 -0.02,20 0.558,21 -1.257,22 0.51,23 0.468,24 2.572,25 3.359,26 2.123,27 4.893,28 3.191,29 0.589,30 0.519,31 106.56,32 80.92,33 3.771,34 110.18,35 260.598,36 3.834,37 277.744,38 16.523,39 3.723,40 197.52,41 6.272,42 0.51,43 12.782,44 3.853,45 0.885,46 3.305,47 0.733,48 25.454,49 2.563,50 3.54,51 5.167,52 9.75,53 2.282,54 48,55 48,56 -0.789,57 28.095,58 4.019,59 3.665,60 0.284,61 93.284,63 3.908,64 12.182,65 101.284,66 3.276,67 4.06,68 4.076,69 103.284,70 5}
{0 CHEMBL90339,1 0.183,3 18.18,5 1.08,6 3.718,7 1.773,8 4.36,10 0.782,11 4.765,12 4.92,13 4.857,14 3.019,15 3.657,16 1.098,17 1.098,18 14.833,19 -0.211,20 0.145,21 -1.719,22 -0.407,23 0.372,24 2.622,25 3.386,26 2.089,27 4.587,28 3.034,29 0.356,30 0.258,31 60.003,32 84.529,33 3.67,34 111.364,35 263.488,36 3.746,37 280.949,38 16.87,39 3.11,40 188.87,41 5.124,42 0.169,43 11.051,44 3.836,45 0.534,46 3.266,47 0.447,48 24.396,49 2.285,50 3.657,51 5.005,52 8.333,53 1.86,54 43.536,55 43.536,56 -1.362,57 27.207,58 4.018,59 3.88,60 0.302,61 95.284,63 3.836,64 10.552,65 103.284,66 2.884,67 3.987,68 3.945,69 103.284,70 5}
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{0 CHEMBL90475,1 1.592,2 0.247,3 17.729,5 1.655,6 4.015,7 2.833,8 4.892,10 0.782,11 5.583,12 5.201,13 5.253,14 4.013,15 4.128,16 1.935,17 1.935,18 21.519,19 1.148,20 0.524,21 0.18,22 1.141,23 0.755,24 3.446,25 4.03,26 2.829,27 5.042,28 3.884,29 0.477,30 0.679,31 141.182,32 123.525,33 4.152,34 170.409,35 407.558,36 4.227,37 405.213,38 27.443,39 3.206,40 291.36,41 9.077,42 1.282,43 15.779,44 4.391,45 1.007,46 3.665,47 0.877,48 35.236,49 3.297,50 4.229,51 6.983,52 11.333,53 3.171,54 62.664,55 62.664,56 0.206,57 38.692,58 4.581,59 4.32,60 0.18,61 149.525,63 4.288,64 15.527,65 173.525,66 3.869,67 4.424,68 6.851,69 175.525,70 6}
{0 CHEMBL90512,1 0.674,3 19.667,5 1.189,6 3.851,7 2.152,8 4.321,10 0.782,11 4.985,12 4.905,13 4.853,14 3.197,15 3.654,16 1.387,17 1.387,18 16.038,19 0.027,20 0.163,21 -1.368,22 -0.09,23 0.42,24 2.787,25 3.403,26 2.296,27 4.596,28 2.998,29 0.348,30 0.299,31 95.674,32 87.02,33 3.676,34 123.251,35 292.492,36 3.749,37 312.046,38 18.426,39 3.332,40 209.73,41 5.504,42 0.227,43 12.55,44 3.852,45 0.553,46 3.272,47 0.472,48 24.564,49 2.489,50 3.622,51 5.533,52 9.167,53 2.115,54 46.226,55 46.226,56 -1.129,57 26.964,58 3.996,59 3.853,60 0.287,61 94.529,63 3.822,64 11.422,65 101.284,66 2.887,67 3.982,68 4.112,69 103.284,70 7.151}
{0 CHEMBL90688,1 0.674,3 66.817,5 1.084,6 4.413,7 2.003,8 4.715,10 1.71,11 11.07,12 5.23,13 5.255,14 3,15 3.565,16 1.133,17 1.133,18 18.41,19 -0.099,20 0.413,21 -1.22,22 0.51,23 0.499,24 2.582,25 3.232,26 2.102,27 4.838,28 2.681,29 0.589,30 0.398,31 106.56,32 80.92,33 3.771,34 110.18,35 260.598,36 3.622,37 277.744,38 16.523,39 3.723,40 197.52,41 6.287,42 0.51,43 12.782,44 3.853,45 0.867,46 3.305,47 0.711,48 25.454,49 2.442,50 3.409,51 5.167,52 9.75,53 2.253,54 48,55 48,56 -0.672,57 28.095,58 4.018,59 3.804,60 0.278,61 95.284,63 3.908,64 12.182,65 103.284,66 3.227,67 3.811,68 4.07,69 103.284,70 6.319}
{0 CHEMBL90772,1 1.5,2 1.71,3 152.289,5 1.463,6 5.207,7 2.671,8 5.175,10 3.825,11 18.721,12 6.783,13 5.781,14 3.912,15 4.216,16 1.656,17 1.656,18 24.252,19 0.944,20 0.657,21 -0.089,22 0.51,23 1.536,24 2.998,25 3.418,26 2.57,27 5.217,28 3.147,29 0.92,30 0.461,31 108.028,32 91.362,33 3.993,34 123.366,35 292.774,36 3.93,37 312.322,38 18.097,39 4.439,40 233.03,41 8.242,42 0.677,43 16.573,44 4.027,45 1.358,46 3.455,47 1.518,48 29.876,49 2.632,50 3.577,51 5.878,52 12.833,53 2.595,54 55.247,55 55.247,56 0.51,57 32.529,58 4.158,59 4.423,60 0.228,61 100.117,63 4.114,64 15.552,65 102.872,66 3.52,67 4.05,68 4.722,69 102.872,70 6.495}
{0 CHEMBL90808,1 0.874,3 15.667,5 1.396,6 2.422,7 1.902,8 4.481,11 3.42,12 4.74,13 4.87,14 2.93,15 3.756,16 1.414,17 1.414,18 16.667,19 0.695,20 0.37,21 -1.235,22 -0.058,23 0.525,24 2.771,25 3.537,26 2.403,27 4.627,28 2.542,29 0.456,30 0.447,31 117.775,32 97.977,33 3.874,34 122.243,35 290.033,36 3.94,37 293.063,38 19.716,39 3.203,40 199.01,41 6.027,42 0.625,43 11.106,44 4.021,45 0.763,46 3.438,47 0.616,48 28.018,49 2.671,50 3.792,51 4.634,52 8.667,53 2.463,54 45.533,55 45.533,56 -1.036,57 31.574,58 4.211,59 4.033,60 0.271,61 114.241,63 4.054,64 11.544,65 125.851,66 3.365,67 4.211,68 4.777,69 127.851,70 5.553}
{0 CHEMBL90819,1 0.349,3 11.399,5 1.084,6 3.585,7 1.636,8 3.909,10 0.782,11 4.985,12 4.674,13 4.773,14 3.058,15 3.613,16 1.12,17 1.12,18 14.333,19 -0.151,20 0.196,21 -1.711,22 -0.406,23 0.461,24 2.694,25 3.355,26 2.096,27 4.499,28 1.952,29 0.359,30 0.333,31 101.204,32 84.529,33 3.655,34 118.499,35 280.897,36 3.744,37 297.004,38 18.063,39 3.264,40 198.59,41 5.102,42 0.195,43 11.464,44 3.814,45 0.593,46 3.256,47 0.496,48 24.145,49 2.461,50 3.623,51 5.315,52 8.333,53 1.82,54 43.536,55 43.536,56 -1.354,57 26.917,58 3.992,59 3.854,60 0.309,61 93.284,63 3.82,64 10.552,65 101.284,66 2.835,67 3.969,68 4,69 103.284,70 5.409}
{0 CHEMBL90859,1 1.225,2 0.554,3 16.755,5 1.325,6 5.265,7 2.743,8 4.843,10 0.782,11 6.152,12 5.321,13 5.321,14 3.892,15 4.283,16 1.484,17 1.484,18 21.8,19 1.096,20 0.58,21 -0.243,22 0.924,23 0.904,24 3.441,25 4.137,26 2.42,27 5.116,28 3.786,29 0.525,30 0.784,31 141.985,32 135.937,33 4.166,34 166.801,35 398.754,36 4.303,37 414.804,38 26.801,39 3.167,40 282.64,41 8.155,42 1.126,43 16.206,44 4.349,45 0.943,46 3.695,47 0.919,48 37.123,49 3.253,50 4.354,51 8.317,52 11.167,53 3.105,54 65.392,55 65.392,56 0.18,57 41.372,58 4.556,59 4.506,60 0.193,61 168.485,63 4.329,64 15.079,65 183.995,66 3.934,67 4.534,68 6.578,69 183.995,70 5}
{0 CHEMBL90866,1 0.518,3 22.527,5 1.103,6 4.055,7 1.816,8 4.363,10 0.782,11 4.985,12 5.072,13 4.977,14 3.268,15 4.002,16 1.122,17 1.122,18 16.252,19 -0.064,20 0.228,21 -1.416,22 -0.074,23 0.606,24 3.042,25 3.791,26 2.113,27 4.869,28 2.833,29 0.396,30 0.471,31 104.184,32 96.017,33 3.795,34 124.51,35 295.565,36 3.94,37 316.721,38 19.33,39 3.171,40 211.82,41 5.547,42 0.208,43 12.265,44 3.989,45 0.651,46 3.365,47 0.602,48 27.124,49 2.691,50 4.045,51 5.927,52 8.833,53 2.063,54 47.388,55 47.388,56 -1.132,57 30.435,58 4.197,59 4.25,60 0.283,61 111.627,63 3.972,64 11.259,65 119.627,66 3.231,67 4.163,68 4.537,69 119.627,70 6.658}
{0 CHEMBL90867,1 1.114,3 22.491,5 1.429,6 2.985,7 2.131,8 4.897,10 0.86,11 5.14,12 5.088,13 5.206,14 3.212,15 4.092,16 1.454,17 1.454,18 18.733,19 0.772,20 0.56,21 -0.867,22 0.629,23 0.716,24 3.123,25 3.89,26 2.439,27 5.051,28 2.987,29 0.458,30 0.616,31 135.839,32 106.909,33 3.961,34 135.702,35 322.874,36 4.164,37 331.999,38 21.926,39 3.231,40 228.76,41 6.789,42 0.908,43 12.798,44 4.112,45 0.787,46 3.534,47 0.781,48 31.127,49 3.035,50 4.109,51 5.798,52 9.667,53 2.815,54 52.614,55 52.614,56 -0.488,57 34.7,58 4.271,59 4.345,60 0.241,61 124.561,63 4.111,64 12.958,65 138.07,66 3.816,67 4.38,68 5.316,69 144.825,70 6.252}
{0 CHEMBL90948,1 1.528,2 0.247,3 14.502,5 1.496,6 3.63,7 2.559,8 4.774,10 0.782,11 5.583,12 5.108,13 5.202,14 3.792,15 4.116,16 1.616,17 1.616,18 20.433,19 1.118,20 0.547,21 -0.383,22 1,23 0.776,24 3.393,25 4.017,26 2.556,27 4.96,28 3.747,29 0.489,30 0.695,31 147.157,32 114.466,33 4.142,34 162.076,35 387.226,36 4.213,37 383.811,38 26.586,39 3.205,40 276.15,41 8.666,42 1.141,43 14.544,44 4.376,45 1.029,46 3.657,47 0.893,48 34.913,49 3.242,50 4.231,51 6.583,52 10.5,53 3.079,54 57.467,55 57.467,56 0.18,57 38.748,58 4.584,59 4.321,60 0.187,61 136.996,63 4.289,64 14.656,65 161.525,66 3.843,67 4.427,68 6.721,69 167.525,70 5}
{0 CHEMBL91003,1 1.319,2 0.782,3 141.391,4 -0.023,5 1.446,6 3.003,7 2.398,8 5.355,10 1.737,11 12.974,12 5.567,13 5.52,14 3.425,15 4.207,16 1.545,17 1.545,18 21.71,19 0.977,20 0.665,21 -0.501,22 0.51,23 0.967,24 3.207,25 4.049,26 2.497,27 5.519,28 2.786,29 0.692,30 0.952,31 111.2,32 115.315,33 4.112,34 131.563,35 312.774,36 4.205,37 326.353,38 21.046,39 3.849,40 237.06,41 8.219,42 1.098,43 14.13,44 4.272,45 1.183,46 3.556,47 1.086,48 32.222,49 2.959,50 4.294,51 5.006,52 11.25,53 2.471,54 58.031,55 58.031,56 -0.39,57 35.925,58 4.463,59 4.451,60 0.225,61 132.07,63 4.273,64 14.207,65 140.07,66 3.811,67 4.412,68 5.53,69 140.07,70 7.398}
{0 CHEMBL91195,1 1.112,2 0.142,3 14.271,5 1.11,6 5.043,7 1.809,8 4.657,10 0.782,11 5.323,12 5.068,13 5.125,14 3.643,15 4.147,16 1.158,17 1.158,18 18.233,19 0.582,20 0.497,21 -1.136,22 0.181,23 0.741,24 3.227,25 3.965,26 2.134,27 4.877,28 3.628,29 0.476,30 0.626,31 114.67,32 113.246,33 4.026,34 147.276,35 351.113,36 4.152,37 377.981,38 23.347,39 3.166,40 250.49,41 6.515,42 0.458,43 14.451,44 4.219,45 0.831,46 3.544,47 0.79,48 32.796,49 3.072,50 4.187,51 7.665,52 9.833,53 2.871,54 54.691,55 54.691,56 -0.879,57 37.163,58 4.461,59 4.403,60 0.25,61 138.955,63 4.23,64 12.673,65 152.955,66 3.811,67 4.385,68 5.567,69 152.955,70 5}
{0 CHEMBL91201,1 1.117,2 0.247,3 10.058,5 1.134,6 2.756,7 2.145,8 4.236,10 0.782,11 5.583,12 4.692,13 4.866,14 3.443,15 3.868,16 1.226,17 1.226,18 16.333,19 0.646,20 0.279,21 -1.125,22 0.18,23 0.539,24 2.943,25 3.541,26 2.186,27 4.449,28 3.516,29 0.422,30 0.406,31 105.416,32 98.954,33 3.934,34 130.29,35 309.668,36 3.955,37 318.527,38 20.824,39 3.203,40 220.83,41 6.589,42 0.965,43 11.863,44 4.105,45 0.779,46 3.429,47 0.643,48 28.029,49 2.649,50 3.792,51 5.146,52 8.667,53 2.41,54 48.778,55 48.778,56 -0.947,57 31.333,58 4.316,59 4.129,60 0.253,61 117.851,63 4.116,64 11.544,65 125.851,66 3.173,67 4.184,68 5.052,69 125.851,70 5}
{0 CHEMBL91266,1 1,3 13.359,5 1.481,6 4.818,7 2.355,8 4.625,11 3.42,12 4.832,13 4.754,14 3.535,15 3.686,16 1.488,17 1.488,18 18.333,19 0.954,20 0.462,21 -0.869,22 0.618,23 0.516,24 3.179,25 3.752,26 2.485,27 4.831,28 2.838,29 0.425,30 0.566,31 192.099,32 98.942,33 3.864,34 146.575,35 349.402,36 3.616,37 353.716,38 23.358,39 3.071,40 250.5,41 7.059,42 0.864,43 13.724,44 3.99,45 0.741,46 3.492,47 0.483,48 29.993,49 3.096,50 3.923,51 7.027,52 9.833,53 2.767,54 49.095,55 49.095,56 -0.161,57 32.996,58 4.164,59 3.831,60 0.214,61 120.942,63 3.987,64 13.502,65 134.452,66 3.566,67 3.772,68 5.551,69 137.207,70 5}
{0 CHEMBL91267,1 1.256,2 0.8,3 13.877,5 1.332,6 4.16,7 2.339,8 4.705,10 0.86,11 8.305,12 5.214,13 5.292,14 3.213,15 4.324,16 1.454,17 1.454,18 21.333,19 0.959,20 0.507,21 -0.407,22 0.978,23 0.796,24 3.239,25 3.985,26 2.376,27 4.912,28 2.814,29 0.564,30 0.594,31 114.302,32 129.941,33 4.22,34 148.351,35 353.738,36 4.464,37 372.441,38 24.455,39 3.149,40 255.94,41 8.154,42 1,43 14.245,44 4.414,45 0.996,46 3.7,47 0.934,48 36.996,49 2.983,50 4.252,51 6.841,52 10.167,53 2.803,54 61.585,55 61.585,56 -0.36,57 42.029,58 4.635,59 4.603,60 0.212,61 153.995,63 4.415,64 13.665,65 157.995,66 3.75,67 4.742,68 6.122,69 157.995,70 5}
{0 CHEMBL91322,1 1.12,2 0.142,3 14.675,4 0.302,5 1.283,6 5.729,7 2.266,8 4.799,9 1,10 0.782,11 5.323,12 5.148,13 5.249,14 3.675,15 4.238,16 1.459,17 1.459,18 19.533,19 0.655,20 0.583,21 -1,22 0.182,23 0.803,24 3.286,25 4.019,26 2.392,27 4.927,28 3.714,29 0.514,30 0.667,31 121.389,32 120.343,33 4.122,34 156.868,35 374.518,36 4.249,37 408.243,38 25.108,39 3.167,40 267.79,41 7.059,42 0.566,43 15.447,44 4.344,45 0.94,46 3.624,47 0.888,48 35.68,49 3.172,50 4.235,51 7.743,52 10.667,53 3.084,54 58.198,55 58.198,56 -0.876,57 40.578,58 4.585,59 4.506,60 0.236,61 145.588,63 4.33,64 13.544,65 161.853,66 3.935,67 4.474,68 5.951,69 161.853,70 5}
{0 CHEMBL91344,1 1,2 0.782,3 19.999,5 1,6 4.111,7 1.881,8 4.537,10 0.86,11 6.705,12 5.103,13 5.063,14 3.16,15 4.149,16 1,17 1,18 17.933,19 0.455,20 0.357,21 -1.149,22 -0.012,23 0.697,24 3.093,25 3.898,26 2,27 4.967,28 2.356,29 0.45,30 0.543,31 116.81,32 108.825,33 3.952,34 129.766,35 308.389,36 4.169,37 336.512,38 20.688,39 3.139,40 222.7,41 5.964,42 0.522,43 12.937,44 4.078,45 0.73,46 3.501,47 0.744,48 31.011,49 2.811,50 4.149,51 6.452,52 9.333,53 2.385,54 52.168,55 52.168,56 -1,57 35.116,58 4.282,59 4.428,60 0.265,61 128.07,63 4.143,64 11.966,65 132.07,66 3.599,67 4.429,68 4.888,69 132.07,70 5}
{0 CHEMBL91347,1 1.48,2 0.247,3 18.455,5 1.461,6 5.259,7 2.146,8 4.981,10 0.782,11 5.583,12 5.211,13 5.292,14 3.77,15 4.422,16 1.616,17 1.616,18 22.833,19 1.11,20 0.734,21 -0.403,22 0.97,23 0.964,24 3.453,25 4.287,26 2.548,27 5.095,28 3.843,29 0.618,30 0.862,31 118.088,32 137.843,33 4.374,34 178.252,35 426.694,36 4.496,37 448.911,38 29.631,39 3.204,40 307.33,41 9.15,42 1.141,43 16.755,44 4.631,45 1.2,46 3.812,47 1.062,48 42.447,49 3.322,50 4.555,51 8.741,52 11.167,53 3.237,54 66.467,55 66.467,56 0.089,57 48.409,58 4.901,59 4.693,60 0.196,61 184.574,63 4.582,64 15.079,65 210.574,66 4.122,67 4.761,68 7.618,69 214.574,70 5.854}
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{0 CHEMBL91544,1 1.365,2 0.142,3 26.174,4 0.258,5 1.199,6 2.667,7 2.232,8 4.519,10 0.782,11 5.323,12 5.098,13 5.054,14 3.484,15 4.014,16 1.414,17 1.414,18 18.038,19 0.809,20 0.178,21 -1,22 0.245,23 0.602,24 3.114,25 3.744,26 2.306,27 4.87,28 3.047,29 0.412,30 0.389,31 97.78,32 103.586,33 3.943,34 135.042,35 321.262,36 4.013,37 334.579,38 21.188,39 3.391,40 231.97,41 7.061,42 0.688,43 12.925,44 4.18,45 0.781,46 3.442,47 0.65,48 28.447,49 2.781,50 3.973,51 5,52 9.833,53 2.245,54 51.744,55 51.744,56 -0.704,57 31.379,58 4.356,59 4.248,60 0.245,61 117.096,63 4.096,64 12.577,65 123.851,66 3.123,67 4.22,68 5.144,69 125.851,70 7.155}
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{0 CHEMBL91643,1 0.453,3 24.43,5 1.098,6 3.916,7 1.805,8 4.469,10 0.782,11 4.765,12 5.178,13 4.998,14 3.423,15 4.017,16 1.122,17 1.122,18 16.133,19 -0.066,20 0.193,21 -1.418,22 -0.092,23 0.54,24 2.982,25 3.818,26 2.114,27 5.02,28 3.037,29 0.394,30 0.385,31 62.538,32 96.017,33 3.804,34 120.956,35 286.894,36 3.944,37 307.025,38 18.631,39 3.158,40 206.17,41 5.547,42 0.181,43 12.046,44 4,45 0.613,46 3.37,47 0.578,48 27.28,49 2.609,50 4.075,51 5.758,52 8.833,53 1.953,54 47.388,55 47.388,56 -1.137,57 30.622,58 4.212,59 4.266,60 0.283,61 111.627,63 3.982,64 11.259,65 119.627,66 3.253,67 4.166,68 4.505,69 119.627,70 5}
{0 CHEMBL91644,1 1.525,2 0.782,3 26.34,5 1.44,6 6.751,7 2.805,8 5.194,10 0.8,11 7.723,12 5.447,13 5.497,14 3.949,15 4.576,16 1.559,17 1.559,18 25.633,19 1.104,20 0.846,21 0.179,22 1.146,23 1.101,24 3.589,25 4.413,26 2.49,27 5.339,28 3.923,29 0.715,30 1,31 116.373,32 155.314,33 4.466,34 191.84,35 459.85,36 4.68,37 483.217,38 31.643,39 3.166,40 329.33,41 10.032,42 1.217,43 18.648,44 4.721,45 1.293,46 3.914,47 1.19,48 46.651,49 3.487,50 4.645,51 10.234,52 12.167,53 3.319,54 75.417,55 75.417,56 0.246,57 53.405,58 4.985,59 4.854,60 0.177,61 196.536,63 4.687,64 16.493,65 224.801,66 4.285,67 4.969,68 7.96,69 230.311,70 5}
{0 CHEMBL91704,1 2.721,2 1.697,3 128.907,4 -1.4,5 2.428,6 9.566,7 2.91,8 6.598,9 2,10 1.96,11 17.44,12 6.424,13 6.533,14 4.471,15 5.317,16 2.445,17 2.445,18 45.033,19 2.077,20 2.755,21 1.491,22 2.15,23 2.32,24 4.442,25 5.445,26 3.44,27 6.653,28 4.615,29 1.146,30 2.604,31 206.832,32 267.198,33 4.994,34 307.316,35 741.611,36 5.361,37 767.465,38 52.432,39 3.797,40 546.01,41 17.379,42 2.535,43 30.515,44 5.3,45 2.345,46 4.435,47 2.324,48 78.814,49 4.538,50 5.662,51 14.975,52 21.25,53 4.615,54 122.577,55 122.577,56 1.587,57 88.809,58 5.519,59 5.526,60 0.11,61 350.111,62 0.547,63 5.17,64 29.081,65 401.96,66 5.488,67 5.602,68 13.886,69 422.489,70 8.35}
{0 CHEMBL91830,1 1.233,3 54.896,5 1.795,6 4.093,7 2.636,8 5.009,10 1.71,11 11.07,12 5.335,13 5.426,14 3.838,15 3.884,16 2.011,17 2.011,18 23.576,19 0.916,20 0.54,21 -0.12,22 0.691,23 1.034,24 3.202,25 3.898,26 2.921,27 5.387,28 2.913,29 0.742,30 0.859,31 138.617,32 124.561,33 4.076,34 143.763,35 342.542,36 4.067,37 351.783,38 22.182,39 3.723,40 246.73,41 8.493,42 1.08,43 16.078,44 4.104,45 1.081,46 3.587,47 0.95,48 32.734,49 3.008,50 4.098,51 6.217,52 12.25,53 2.632,54 63.943,55 63.943,56 0.51,57 36.011,58 4.258,59 4.03,60 0.209,61 135.315,63 4.222,64 15.621,65 140.07,66 3.607,67 4.273,68 5.518,69 142.07,70 5.155}
{0 CHEMBL91844,1 0.181,3 11.879,5 0.935,6 4.24,7 1.662,8 4.079,11 3.42,12 4.255,13 4.37,14 3.012,15 3.103,16 1,17 1,18 13.033,19 -0.214,20 0.195,21 -2,22 -0.638,23 0.282,24 2.393,25 3.025,26 1.944,27 4.252,28 3.439,29 0.32,30 0.269,31 98.67,32 67.874,33 3.498,34 108.906,35 257.492,36 3.222,37 270.928,38 16.301,39 2.944,40 181.29,41 4.749,42 -0.089,43 10.47,44 3.665,45 0.505,46 3.138,47 0.315,48 21.262,49 2.341,50 3.192,51 5.191,52 7.5,53 2.032,54 39.484,55 39.484,56 -1.686,57 23.502,58 3.84,59 3.322,60 0.313,61 82.239,63 3.64,64 9.682,65 90.239,66 2.839,67 3.417,68 3.567,69 90.239,70 5.886}
{0 CHEMBL91887,1 1.597,2 0.8,3 25.26,5 1.507,6 4.891,7 2.833,8 5.15,10 0.86,11 8.903,12 5.284,13 5.42,14 3.883,15 4.453,16 1.692,17 1.692,18 25.1,19 1.14,20 0.799,21 0.18,22 1.256,23 0.975,24 3.5,25 4.299,26 2.606,27 5.188,28 3.967,29 0.667,30 0.907,31 114.627,32 146.605,33 4.464,34 181.649,35 434.983,36 4.629,37 447.803,38 30.33,39 3.204,40 314.76,41 10.667,42 1.553,43 17.145,44 4.692,45 1.282,46 3.881,47 1.154,48 43.992,49 3.408,50 4.533,51 8.422,52 11.5,53 3.348,54 75.976,55 75.976,56 0.465,57 49.701,58 4.933,59 4.715,60 0.172,61 184.996,63 4.658,64 16.071,65 212.215,66 4.165,67 4.908,68 7.865,69 212.215,70 5}
{0 CHEMBL91893,1 1,3 17.875,5 1.298,6 3.709,7 2.399,8 4.48,11 3.2,12 5.025,13 4.928,14 3.507,15 3.722,16 1.397,17 1.397,18 18.4,19 0.922,20 0.32,21 -1,22 0.549,23 0.453,24 2.94,25 3.583,26 2.36,27 4.854,28 2.858,29 0.411,30 0.395,31 87.319,32 92.69,33 3.865,34 130.889,35 311.13,36 3.8,37 317.772,38 20.324,39 2.99,40 221.02,41 6.887,42 0.726,43 12.862,44 4.035,45 0.621,46 3.461,47 0.498,48 28.724,49 2.758,50 3.778,51 5.843,52 9.667,53 2.458,54 51.612,55 51.612,56 -0.824,57 31.416,58 4.191,59 3.908,60 0.227,61 111.096,63 3.98,64 12.958,65 122.606,66 3.336,67 3.981,68 5.058,69 124.606,70 5}
{0 CHEMBL92099,1 0.712,3 29.192,5 1.195,6 4.114,7 2.154,8 4.539,10 0.782,11 4.985,12 5.144,13 5.002,14 3.481,15 4.014,16 1.414,17 1.414,18 17.338,19 0.138,20 0.208,21 -1.132,22 -0.005,23 0.596,24 3.109,25 3.82,26 2.304,27 5.001,28 3.037,29 0.386,30 0.453,31 98.209,32 98.508,33 3.81,34 132.843,35 315.897,36 3.946,37 338.123,38 20.188,39 3.339,40 227.03,41 5.928,42 0.512,43 13.545,44 4.013,45 0.635,46 3.376,47 0.598,48 27.447,49 2.812,50 4.04,51 6.274,52 9.667,53 2.258,54 50.354,55 50.354,56 -1,57 30.379,58 4.194,59 4.248,60 0.27,61 110.872,63 3.97,64 12.129,65 117.627,66 3.29,67 4.162,68 4.672,69 119.627,70 7.611}
{0 CHEMBL92375,1 0.518,3 39.615,5 1.112,6 3.836,7 1.812,8 4.685,10 0.782,11 4.985,12 5.219,13 5.115,14 3.139,15 4.016,16 1.122,17 1.122,18 16.681,19 -0.064,20 0.334,21 -1.416,22 -0.074,23 0.731,24 2.992,25 3.811,26 2.115,27 5.026,28 2.464,29 0.469,30 0.576,31 109.805,32 96.017,33 3.804,34 117.375,35 278.156,36 3.951,37 298.153,38 18.409,39 3.168,40 202.68,41 5.547,42 0.191,43 11.916,44 4.002,45 0.787,46 3.371,47 0.719,48 27.313,49 2.627,50 4.085,51 5.659,52 8.833,53 1.946,54 47.388,55 47.388,56 -1.135,57 30.831,58 4.223,59 4.276,60 0.283,61 111.627,63 3.987,64 11.259,65 119.627,66 3.247,67 4.184,68 4.481,69 119.627,70 5}
{0 CHEMBL92376,1 1.112,2 0.782,3 133.157,5 1.208,6 4.491,7 2.234,8 5.261,10 1.71,11 12.635,12 5.609,13 5.486,14 3.478,15 4.207,16 1.281,17 1.281,18 21.01,19 0.643,20 0.588,21 -0.64,22 0.51,23 0.948,24 3.205,25 4.106,26 2.238,27 5.599,28 2.764,29 0.657,30 0.828,31 111.629,32 110.087,33 4.001,34 129.364,35 307.409,36 4.15,37 329.897,38 20.046,39 3.726,40 232.12,41 7.085,42 0.518,43 14.774,44 4.122,45 1.027,46 3.497,47 1.024,48 31.222,49 2.944,50 4.358,51 6.05,52 11.083,53 2.457,54 56.624,55 56.624,56 -0.428,57 34.925,58 4.319,59 4.45,60 0.249,61 125.697,63 4.168,64 13.759,65 133.697,66 3.818,67 4.364,68 5.059,69 133.697,70 7.301}
{0 CHEMBL92579,1 0.928,2 0.782,3 21.501,5 1.079,6 3.852,7 1.816,8 4.462,10 0.86,11 6.705,12 4.969,13 4.992,14 2.929,15 3.904,16 1.102,17 1.102,18 16.633,19 0.33,20 0.298,21 -1.373,22 -0.38,23 0.565,24 2.891,25 3.729,26 2.085,27 4.703,28 2.499,29 0.412,30 0.45,31 114.276,32 98.341,33 3.837,34 120.174,35 284.983,36 4.03,37 310.435,38 18.926,39 3.103,40 205.4,41 5.546,42 0.225,43 11.942,44 3.927,45 0.65,46 3.41,47 0.623,48 28.127,49 2.598,50 4.015,51 5.679,52 8.833,53 2.197,54 48.526,55 48.526,56 -1.241,57 31.7,58 4.102,59 4.138,60 0.282,61 115.096,63 4.02,64 11.259,65 123.096,66 3.423,67 4.292,68 4.328,69 123.096,70 5}
{0 CHEMBL92903,1 1.141,2 0.247,3 14.043,4 0.336,5 1.324,6 3.69,7 2.275,8 4.558,9 1,10 0.782,11 5.583,12 4.97,13 5.132,14 3.593,15 4.103,16 1.506,17 1.506,18 18.933,19 0.779,20 0.446,21 -1,22 0.415,23 0.713,24 3.237,25 4.039,26 2.427,27 4.797,28 3.635,29 0.501,30 0.635,31 114.67,32 116.92,33 4.134,34 149.475,35 356.478,36 4.176,37 374.866,38 24.347,39 3.205,40 255.43,41 7.694,42 0.97,43 13.813,44 4.362,45 0.984,46 3.6,47 0.849,48 33.796,49 3.015,50 4.317,51 6.022,52 10,53 2.803,54 56.113,55 56.113,56 -0.683,57 38.163,58 4.598,59 4.342,60 0.227,61 143.464,63 4.328,64 13.121,65 151.464,66 3.699,67 4.39,68 6.002,69 151.464,70 5}
{0 CHEMBL93125,1 0.554,3 20.476,5 1,6 4.055,7 1.861,8 4.254,10 0.782,11 4.985,12 5.03,13 4.896,14 3.25,15 3.991,16 1,17 1,18 16.252,19 0.057,20 0.223,21 -1.418,22 -0.113,23 0.615,24 3.021,25 3.786,26 2,27 4.894,28 2.286,29 0.396,30 0.471,31 104.184,32 96.017,33 3.795,34 124.51,35 295.565,36 3.927,37 316.721,38 19.33,39 3.146,40 211.82,41 5.541,42 0.39,43 12.265,44 3.989,45 0.651,46 3.365,47 0.615,48 27.124,49 2.704,50 4.046,51 5.927,52 8.833,53 2.074,54 47.388,55 47.388,56 -1,57 30.435,58 4.197,59 4.252,60 0.282,61 107.627,63 3.972,64 11.259,65 111.627,66 3.263,67 4.165,68 4.537,69 111.627,70 5}
{0 CHEMBL93166,1 1.542,2 1.71,3 324.133,5 1.646,6 5.348,7 3.13,8 5.799,10 3.825,11 20.286,12 6.888,13 5.899,14 4.216,15 4.605,16 1.879,17 1.879,18 26.852,19 1.157,20 0.768,21 0.51,22 0.518,23 2.322,24 3.527,25 4.364,26 2.781,27 6.052,28 3.247,29 0.965,30 1.021,31 113.098,32 121.081,33 4.182,34 142.551,35 339.585,36 4.343,37 364.475,38 21.62,39 4.439,40 267.63,41 9.04,42 1.155,43 18.568,44 4.257,45 1.506,46 3.623,47 1.836,48 35.643,49 3.216,50 4.592,51 6.739,52 14.167,53 2.839,54 65.127,55 65.127,56 0.51,57 39.36,58 4.425,59 4.808,60 0.208,61 131.445,63 4.331,64 17.129,65 134.2,66 4.196,67 4.509,68 5.71,69 134.2,70 7.699}
{0 CHEMBL93490,1 0.614,3 20.226,5 0.977,6 3.64,7 1.98,8 4.327,11 3.42,12 4.377,13 4.563,14 2.951,15 3.135,16 1.109,17 1.109,18 14.738,19 -0.153,20 0.168,21 -1.687,22 -0.183,23 0.263,24 2.472,25 3.068,26 2.013,27 4.576,28 2.858,29 0.311,30 0.239,31 93.14,32 70.729,33 3.523,34 113.658,35 269.086,36 3.26,37 285.97,38 16.665,39 3.39,40 192.43,41 5.108,42 -0.004,43 11.555,44 3.709,45 0.465,46 3.156,47 0.286,48 21.68,49 2.464,50 3.196,51 5.383,52 8.333,53 2.039,54 41.832,55 41.832,56 -1.277,57 23.549,58 3.845,59 3.322,60 0.309,61 83.484,63 3.642,64 10.552,65 90.239,66 2.886,67 3.425,68 3.69,69 90.239,70 5}
{0 CHEMBL93774,1 1.05,3 15.117,5 1.437,6 3.636,7 2.183,8 4.583,10 0.86,11 5.14,12 5.146,13 5.195,14 3.24,15 4.088,16 1.494,17 1.494,18 20.2,19 0.869,20 0.431,21 -0.784,22 0.699,23 0.659,24 3.162,25 3.878,26 2.461,27 4.925,28 2.691,29 0.469,30 0.569,31 141.591,32 113.329,33 4.004,34 139.699,35 332.625,36 4.124,37 347.258,38 22.381,39 3.154,40 237.55,41 7.298,42 0.937,43 13.737,44 4.111,45 0.737,46 3.581,47 0.702,48 32.454,49 2.904,50 4.12,51 6.47,52 10.167,53 2.591,54 57.034,55 57.034,56 -0.241,57 35.91,58 4.263,59 4.308,60 0.22,61 133.735,63 4.14,64 13.665,65 149.245,66 3.561,67 4.303,68 5.447,69 153.245,70 6.553}
{0 CHEMBL939,1 2.162,2 0.86,3 41.222,5 2.032,6 5.547,7 2.884,8 5.802,10 0.86,11 7.56,12 5.847,13 5.867,14 4.024,15 4.855,16 2.228,17 2.228,18 34.6,19 1.524,20 1.332,21 0.969,22 1.897,23 1.383,24 3.955,25 4.822,26 3.155,27 5.867,28 4.007,29 0.856,30 1.377,31 122.422,32 205.859,33 4.683,34 217.506,35 522.475,36 4.924,37 534.972,38 36.557,39 3.281,40 377.55,41 13.558,42 2.123,43 22.028,44 4.893,45 1.556,46 4.125,47 1.436,48 55.945,49 3.93,50 5.037,51 10.42,52 15.5,53 3.875,54 97.073,55 97.073,56 1.256,57 62.472,58 5.085,59 5.07,60 0.135,61 262.591,63 4.851,64 21.631,65 287.22,66 4.743,67 5.162,68 9.925,69 287.22,70 4.056}
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