@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5137

@attribute molecule_id {CHEMBL10047,CHEMBL104116,CHEMBL104129,CHEMBL104140,CHEMBL104190,CHEMBL104191,CHEMBL104248,CHEMBL104260,CHEMBL104296,CHEMBL104541,CHEMBL104785,CHEMBL104818,CHEMBL105065,CHEMBL105151,CHEMBL105193,CHEMBL105296,CHEMBL105671,CHEMBL106561,CHEMBL106774,CHEMBL106909,CHEMBL107114,CHEMBL107806,CHEMBL107948,CHEMBL108735,CHEMBL108939,CHEMBL1094123,CHEMBL1094124,CHEMBL1094125,CHEMBL1094133,CHEMBL1094134,CHEMBL1094145,CHEMBL1094146,CHEMBL1094414,CHEMBL1094415,CHEMBL1094416,CHEMBL1094429,CHEMBL1094430,CHEMBL1094460,CHEMBL1094461,CHEMBL1094462,CHEMBL1094733,CHEMBL1094734,CHEMBL1094762,CHEMBL1094763,CHEMBL1094764,CHEMBL1095385,CHEMBL1095638,CHEMBL1095701,CHEMBL1095702,CHEMBL1095703,CHEMBL1095704,CHEMBL1095705,CHEMBL1095745,CHEMBL1095746,CHEMBL1095749,CHEMBL1095750,CHEMBL1095970,CHEMBL1096052,CHEMBL1096079,CHEMBL1096080,CHEMBL1096081,CHEMBL1096317,CHEMBL1096318,CHEMBL1096423,CHEMBL1096663,CHEMBL1096711,CHEMBL1096712,CHEMBL1096713,CHEMBL1097044,CHEMBL1097051,CHEMBL1097052,CHEMBL1097053,CHEMBL1097054,CHEMBL1097378,CHEMBL1097379,CHEMBL1097380,CHEMBL1097396,CHEMBL1097397,CHEMBL1097398,CHEMBL1097656,CHEMBL1097984,CHEMBL1098335,CHEMBL1098388,CHEMBL1098389,CHEMBL1098390,CHEMBL1098391,CHEMBL1098406,CHEMBL1098725,CHEMBL121053,CHEMBL123842,CHEMBL123847,CHEMBL124078,CHEMBL124483,CHEMBL124501,CHEMBL1253501,CHEMBL1253502,CHEMBL126608,CHEMBL1288410,CHEMBL1288411,CHEMBL1288491,CHEMBL1289658,CHEMBL1289762,CHEMBL140197,CHEMBL154542,CHEMBL1629855,CHEMBL1629861,CHEMBL1629862,CHEMBL1629863,CHEMBL1629864,CHEMBL1629865,CHEMBL1629866,CHEMBL1630804,CHEMBL1630805,CHEMBL1630806,CHEMBL1630807,CHEMBL1631859,CHEMBL1669377,CHEMBL1669378,CHEMBL1669379,CHEMBL1669380,CHEMBL1669381,CHEMBL1669382,CHEMBL1669383,CHEMBL1669384,CHEMBL1669385,CHEMBL1669386,CHEMBL1669387,CHEMBL1669388,CHEMBL1669389,CHEMBL1669390,CHEMBL1669391,CHEMBL1669392,CHEMBL1669393,CHEMBL1669394,CHEMBL1669395,CHEMBL1669396,CHEMBL1669397,CHEMBL1669398,CHEMBL1669399,CHEMBL1669400,CHEMBL1669401,CHEMBL1669402,CHEMBL1669403,CHEMBL1672288,CHEMBL1672539,CHEMBL1688377,CHEMBL1774108,CHEMBL1774231,CHEMBL1774233,CHEMBL1774235,CHEMBL1783985,CHEMBL178823,CHEMBL179171,CHEMBL179839,CHEMBL179876,CHEMBL179939,CHEMBL180186,CHEMBL180455,CHEMBL180488,CHEMBL180871,CHEMBL181089,CHEMBL181364,CHEMBL181648,CHEMBL181869,CHEMBL181921,CHEMBL181953,CHEMBL182138,CHEMBL182166,CHEMBL182316,CHEMBL182371,CHEMBL182511,CHEMBL182668,CHEMBL182715,CHEMBL182822,CHEMBL182946,CHEMBL1830698,CHEMBL1830707,CHEMBL1830711,CHEMBL183234,CHEMBL183286,CHEMBL183304,CHEMBL183319,CHEMBL183541,CHEMBL183756,CHEMBL183807,CHEMBL183808,CHEMBL183911,CHEMBL184098,CHEMBL184531,CHEMBL184838,CHEMBL184917,CHEMBL185046,CHEMBL185054,CHEMBL185290,CHEMBL185392,CHEMBL185419,CHEMBL185490,CHEMBL185529,CHEMBL185602,CHEMBL185659,CHEMBL185911,CHEMBL185994,CHEMBL186018,CHEMBL186453,CHEMBL186584,CHEMBL187077,CHEMBL187151,CHEMBL187342,CHEMBL187398,CHEMBL187537,CHEMBL187939,CHEMBL187959,CHEMBL188080,CHEMBL188286,CHEMBL188455,CHEMBL188538,CHEMBL188977,CHEMBL189264,CHEMBL189290,CHEMBL189516,CHEMBL189623,CHEMBL191391,CHEMBL191579,CHEMBL192051,CHEMBL192977,CHEMBL195500,CHEMBL2021372,CHEMBL2029786,CHEMBL2029787,CHEMBL2029788,CHEMBL2029789,CHEMBL2029790,CHEMBL2029791,CHEMBL2029792,CHEMBL2029793,CHEMBL2029794,CHEMBL2029795,CHEMBL2029796,CHEMBL2029797,CHEMBL2029798,CHEMBL2029799,CHEMBL2029800,CHEMBL2029801,CHEMBL2029802,CHEMBL2029803,CHEMBL2029804,CHEMBL2029805,CHEMBL2029806,CHEMBL2029807,CHEMBL2029808,CHEMBL2029809,CHEMBL2029810,CHEMBL2029811,CHEMBL2029812,CHEMBL2029813,CHEMBL2029814,CHEMBL2029815,CHEMBL2029816,CHEMBL2029817,CHEMBL2029818,CHEMBL2029819,CHEMBL2029820,CHEMBL2029821,CHEMBL2029822,CHEMBL2029823,CHEMBL2063423,CHEMBL2111822,CHEMBL2112574,CHEMBL2112579,CHEMBL2112580,CHEMBL2112581,CHEMBL2112582,CHEMBL2112583,CHEMBL2112584,CHEMBL2112585,CHEMBL2112586,CHEMBL2112634,CHEMBL2151817,CHEMBL2152107,CHEMBL2152108,CHEMBL2152109,CHEMBL2152110,CHEMBL2152112,CHEMBL2152113,CHEMBL2152114,CHEMBL2152115,CHEMBL2152116,CHEMBL2152117,CHEMBL2152118,CHEMBL2152119,CHEMBL2152120,CHEMBL2152121,CHEMBL2152122,CHEMBL2179309,CHEMBL2179310,CHEMBL2179311,CHEMBL2179312,CHEMBL2179313,CHEMBL2179314,CHEMBL2179315,CHEMBL2179316,CHEMBL2179317,CHEMBL2179318,CHEMBL2179319,CHEMBL2179320,CHEMBL2179321,CHEMBL2179322,CHEMBL2179323,CHEMBL2179324,CHEMBL2179325,CHEMBL2179326,CHEMBL2179327,CHEMBL2179328,CHEMBL2179329,CHEMBL2179330,CHEMBL2179331,CHEMBL2179332,CHEMBL2179333,CHEMBL218710,CHEMBL2204436,CHEMBL2204445,CHEMBL2204446,CHEMBL2206437,CHEMBL2206438,CHEMBL2206439,CHEMBL2206440,CHEMBL2206441,CHEMBL2206442,CHEMBL2206443,CHEMBL2206444,CHEMBL2206445,CHEMBL2206446,CHEMBL2206447,CHEMBL2206448,CHEMBL2206449,CHEMBL229429,CHEMBL2311108,CHEMBL257626,CHEMBL259435,CHEMBL268472,CHEMBL268762,CHEMBL273291,CHEMBL275079,CHEMBL277961,CHEMBL280563,CHEMBL284193,CHEMBL287831,CHEMBL288635,CHEMBL292553,CHEMBL293434,CHEMBL296054,CHEMBL297150,CHEMBL29726,CHEMBL299683,CHEMBL302411,CHEMBL304919,CHEMBL305406,CHEMBL313713,CHEMBL315663,CHEMBL318029,CHEMBL318309,CHEMBL319612,CHEMBL320151,CHEMBL320292,CHEMBL321746,CHEMBL321968,CHEMBL322465,CHEMBL322588,CHEMBL323080,CHEMBL323138,CHEMBL323541,CHEMBL325140,CHEMBL325500,CHEMBL327783,CHEMBL330097,CHEMBL331753,CHEMBL332141,CHEMBL333487,CHEMBL333771,CHEMBL334160,CHEMBL338282,CHEMBL339714,CHEMBL341457,CHEMBL34453,CHEMBL357043,CHEMBL359909,CHEMBL361248,CHEMBL361358,CHEMBL361570,CHEMBL361633,CHEMBL361724,CHEMBL361837,CHEMBL361934,CHEMBL363531,CHEMBL363945,CHEMBL364324,CHEMBL365368,CHEMBL365440,CHEMBL367823,CHEMBL369526,CHEMBL371578,CHEMBL375611,CHEMBL38499,CHEMBL385336,CHEMBL39338,CHEMBL39372,CHEMBL39573,CHEMBL40086,CHEMBL40123,CHEMBL409928,CHEMBL410126,CHEMBL41013,CHEMBL41221,CHEMBL418462,CHEMBL418650,CHEMBL421406,CHEMBL42148,CHEMBL424795,CHEMBL424998,CHEMBL425540,CHEMBL432038,CHEMBL440328,CHEMBL444589,CHEMBL444778,CHEMBL450076,CHEMBL450207,CHEMBL46527,CHEMBL483561,CHEMBL483750,CHEMBL483751,CHEMBL483754,CHEMBL484126,CHEMBL484127,CHEMBL484128,CHEMBL484178,CHEMBL484338,CHEMBL484339,CHEMBL484340,CHEMBL484403,CHEMBL484731,CHEMBL484956,CHEMBL484957,CHEMBL484958,CHEMBL484972,CHEMBL485175,CHEMBL485176,CHEMBL485190,CHEMBL485191,CHEMBL485329,CHEMBL485330,CHEMBL485331,CHEMBL485336,CHEMBL485528,CHEMBL496882,CHEMBL503572,CHEMBL503697,CHEMBL505105,CHEMBL508821,CHEMBL509096,CHEMBL519332,CHEMBL519341,CHEMBL520300,CHEMBL520639,CHEMBL520677,CHEMBL520837,CHEMBL521175,CHEMBL525075,CHEMBL538325,CHEMBL566581,CHEMBL575060,CHEMBL579062,CHEMBL593013,CHEMBL593056,CHEMBL593168,CHEMBL593196,CHEMBL593248,CHEMBL593300,CHEMBL593399,CHEMBL593477,CHEMBL593532,CHEMBL593590,CHEMBL593744,CHEMBL593745,CHEMBL593755,CHEMBL593756,CHEMBL594011,CHEMBL594204,CHEMBL594205,CHEMBL594236,CHEMBL594334,CHEMBL594386,CHEMBL594428,CHEMBL594673,CHEMBL595043,CHEMBL595151,CHEMBL595586,CHEMBL595587,CHEMBL595607,CHEMBL595608,CHEMBL595609,CHEMBL595759,CHEMBL595761,CHEMBL595966,CHEMBL595967,CHEMBL595991,CHEMBL596270,CHEMBL596271,CHEMBL596527,CHEMBL60164,CHEMBL603443,CHEMBL604467,CHEMBL604469,CHEMBL604472,CHEMBL604993,CHEMBL605831,CHEMBL605836,CHEMBL605921,CHEMBL606153,CHEMBL607195,CHEMBL607311,CHEMBL607313,CHEMBL607518,CHEMBL607689,CHEMBL608103,CHEMBL608979,CHEMBL612133,CHEMBL61281,CHEMBL66654,CHEMBL76232,CHEMBL86508,CHEMBL8759,CHEMBL88184,CHEMBL8839,CHEMBL88553,CHEMBL88612,CHEMBL88804,CHEMBL88999,CHEMBL89000,CHEMBL89293,CHEMBL90501,CHEMBL90675,CHEMBL9515,CHEMBL9698,CHEMBL9752,CHEMBL9758,CHEMBL9777,CHEMBL9822}
@attribute Eig03_EA numeric
@attribute SM11_AEA.bo. numeric
@attribute Eig03_EA.bo. numeric
@attribute SM13_AEA.ri. numeric
@attribute RDSQ numeric
@attribute Eig06_AEA.bo. numeric
@attribute X2 numeric
@attribute ZM2V numeric
@attribute ZM2Per numeric
@attribute ATS1m numeric
@attribute ATS5m numeric
@attribute ZM2MulPer numeric
@attribute Eig08_AEA.dm. numeric
@attribute SM03_AEA.bo. numeric
@attribute ZM2Kup numeric
@attribute Psi_e_1 numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eta_epsi numeric
@attribute MW numeric
@attribute ZM1Per numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.ed. numeric
@attribute GGI5 numeric
@attribute Eig07_AEA.bo. numeric
@attribute ZM1MulPer numeric
@attribute ATSC6p numeric
@attribute Eig08_EA.bo. numeric
@attribute MPC01 numeric
@attribute MWC01 numeric
@attribute nBO numeric
@attribute SRW02 numeric
@attribute ZM1V numeric
@attribute ZM2Mad numeric
@attribute SpAD_AEA.ed. numeric
@attribute Dz numeric
@attribute GGI10 numeric
@attribute Eig07_EA numeric
@attribute SM15_AEA.bo. numeric
@attribute XMOD numeric
@attribute ATS8m numeric
@attribute ATS4m numeric
@attribute X3sol numeric
@attribute piPC02 numeric
@attribute SM02_EA.bo. numeric
@attribute SRW04 numeric
@attribute SpAD_EA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute ATSC4i numeric
@attribute ATS2m numeric
@attribute Eig15_AEA.ed. numeric
@attribute SpMax4_Bh.m. numeric
@attribute P_VSA_LogP_5 numeric
@attribute Eig08_EA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute GMTIV numeric
@attribute SM08_AEA.bo. numeric
@attribute Eig06_AEA.ed. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.v. numeric
@attribute IC3 numeric
@attribute Eig07_EA.bo. numeric
@attribute ATSC5p numeric
@attribute GMTI numeric
@attribute SpAD_EA.bo. numeric
@attribute S1K numeric
@attribute Pol numeric
@attribute X5v numeric
@attribute pXC50 numeric

@data
{1 1.802,2 1.802,3 2.286,4 2.286,5 103.687,6 2.338,7 6.931,8 227,9 347.34,10 3.083,11 3.317,12 243,13 0.48,14 5.433,15 249.354,16 2.594,17 1.736,18 21.167,19 242.31,20 351.65,21 2.774,22 -0.291,23 1.111,24 0.604,25 1.781,26 274.058,27 4.23,28 0.042,29 2.89,30 2.89,31 17,32 3.555,33 250,34 99.52,35 26.132,36 39,38 0.652,39 0.652,40 51.73,41 2.309,42 3.278,43 5.283,44 3.534,45 4.212,46 4.812,47 65.768,48 1.647,49 0.705,50 3.387,51 0.772,52 3.009,53 12.92,54 0.077,55 0.077,56 6580,57 12.203,58 3.501,59 3.013,60 3.004,61 4.651,62 0.722,63 4.81,64 1976,65 29.391,66 13.998,67 21,68 0.94,69 3}
{0 CHEMBL104116,1 2.199,2 2.199,3 2.7,4 2.7,5 95.086,6 1.849,7 7.033,8 221,9 343.66,10 2.955,11 3.312,12 238.939,13 0.421,14 5.509,15 241.845,16 2.754,17 2.059,18 18.8,19 217.2,20 381.5,21 3.205,22 -0.754,23 1,24 0.444,25 0.511,26 315.667,27 1.18,28 -1,29 2.773,30 2.773,31 15,32 3.434,33 282,34 101.074,35 26.029,36 36.5,38 -0.713,39 -0.713,40 44.372,41 0.014,42 3.437,43 5.06,44 3.401,45 4.078,46 4.812,47 74.48,48 0.252,49 0.555,50 3.416,51 1,52 2.896,54 -2,55 -2,56 6375,57 12.554,58 3.775,59 2.566,60 2.65,61 3.671,62 -0.718,63 2.732,64 1106,65 26.817,66 11.942,67 23,68 1.135,69 3.523}
{0 CHEMBL104129,1 2.532,2 2.532,3 3.464,4 3.464,5 228.223,6 2.967,7 11.632,8 391,9 603.34,10 3.732,11 4.133,12 417.115,13 1.33,14 6.154,15 375.438,16 4.561,17 2.244,18 28.867,19 382.52,20 557.46,21 3.503,22 1.534,23 3.041,24 0.979,25 2.888,26 414.544,27 12.923,28 1.762,29 3.401,30 3.401,31 29,32 4.078,33 382,34 214.66,35 44.398,36 58,37 0.066,38 1.45,39 1.45,40 88.859,41 3.689,42 4.068,43 10.823,44 4.311,45 4.997,46 5.389,47 123.006,48 2.425,49 1.483,50 3.99,51 2.456,52 3.726,53 31.927,54 2.753,55 2.753,56 22518,57 13.203,58 4.257,59 3.726,60 3.678,61 4.931,62 2.051,63 12.222,64 7999,65 58.408,66 19.248,67 42,68 2.743,69 5.602}
{0 CHEMBL104140,1 2.532,2 2.532,3 3.481,4 3.481,5 224.612,6 2.997,7 11.62,8 392,9 601.63,10 3.724,11 4.039,12 418.185,13 1.267,14 6.182,15 374.165,16 4.446,17 2.191,18 28.1,19 378.53,20 543.6,21 3.504,22 1.534,23 3.041,24 0.826,25 2.904,26 399.065,27 12.427,28 1.5,29 3.401,30 3.401,31 29,32 4.078,33 368,34 212.335,35 44.41,36 57,37 0.12,38 1.459,39 1.459,40 88.281,41 3.514,42 4.025,43 10.884,44 4.337,45 5.024,46 5.389,47 122.928,48 2.435,49 1.472,50 3.974,51 2.483,52 3.726,53 35.112,54 2.589,55 2.589,56 22741,57 13.243,58 4.27,59 3.727,60 3.679,61 4.849,62 2.071,63 12.787,64 8503,65 59.422,66 19.033,67 42,68 2.659,69 6.108}
{0 CHEMBL104190,1 2.653,2 2.653,3 3.44,4 3.44,5 211.268,6 3.01,7 12.495,8 430,9 679.91,10 3.727,11 4.143,12 461.722,13 1.341,14 6.099,15 446.529,16 5.909,17 2.538,18 30.61,19 388.45,20 690.59,21 3.581,22 0.97,23 2.547,24 1.181,25 2.901,26 542.894,27 11.416,28 1.726,29 3.332,30 3.332,31 27,32 4.007,33 496,34 219.314,35 41.163,36 60.5,37 0.037,38 1.49,39 1.49,40 85.691,41 3.885,42 4.203,43 8.558,44 4.174,45 4.86,46 5.352,47 119.262,48 2.45,49 1.421,50 4.083,51 2,52 3.44,53 86.679,54 2.742,55 2.742,56 24757,57 13.203,58 4.452,59 3.411,60 3.399,61 4.864,62 2.013,63 10.685,64 6347,65 51.545,66 20.378,67 36,68 2.285,69 7.495}
{0 CHEMBL104191,1 2.518,2 2.518,3 3.446,4 3.446,5 221.428,6 2.937,7 11.562,8 396,9 608.4,10 3.74,11 4.066,12 423.365,13 1.388,14 6.129,15 383.619,16 4.433,17 2.391,18 28.867,19 382.52,20 565.5,21 3.487,22 1.534,23 3.033,24 0.91,25 2.905,26 419.097,27 12.337,28 1.784,29 3.401,30 3.401,31 29,32 4.078,33 388,34 210.989,35 43.278,36 58,37 0.103,38 1.475,39 1.475,40 89.624,41 3.584,42 3.984,43 10.462,44 4.297,45 4.984,46 5.371,47 117.814,48 2.442,49 1.389,50 3.979,51 2.456,52 3.762,53 44.985,54 2.788,55 2.788,56 23838,57 13.138,58 4.199,59 3.744,60 3.692,61 5.028,62 2.073,63 11.311,64 8587,65 57.775,66 19.248,67 39,68 2.615,69 6.796}
{0 CHEMBL104248,1 2.532,2 2.532,3 3.481,4 3.481,5 228.223,6 3.004,7 11.632,8 408,9 628.46,10 3.728,11 4.122,12 435.375,13 1.324,14 6.182,15 393.801,16 4.566,17 2.209,18 28.267,19 380.5,20 582.98,21 3.504,22 1.534,23 3.041,24 0.979,25 2.895,26 434.85,27 11.883,28 1.767,29 3.401,30 3.401,31 29,32 4.078,33 400,34 214.66,35 44.398,36 58,37 0.066,38 1.45,39 1.45,40 88.859,41 3.672,42 4.056,43 10.823,44 4.337,45 5.024,46 5.389,47 123.006,48 2.427,49 1.375,50 3.984,51 2.456,52 3.726,53 31.927,54 2.753,55 2.753,56 23421,57 13.244,58 4.257,59 3.726,60 3.678,61 4.911,62 2.061,63 10.947,64 7999,65 59.452,66 18.97,67 42,68 2.648,69 5.959}
{0 CHEMBL104260,1 2.995,2 2.995,3 3.441,4 3.441,5 224.185,6 3.317,7 13.63,8 514,9 839.39,10 3.778,11 4.216,12 554.949,13 1.375,14 6.179,15 559.438,16 7.904,17 2.712,18 32.552,19 414.36,20 883.29,21 3.811,22 0.976,23 2.717,24 1.306,25 2.918,26 712.938,27 9.457,28 1.766,29 3.367,30 3.367,31 28,32 4.043,33 648,34 236.377,35 42.588,36 67,37 0.062,38 1.497,39 1.497,40 89.629,41 4.089,42 4.271,43 8.331,44 4.22,45 4.905,46 5.416,47 129.353,48 2.455,49 1.49,50 4.229,51 2,52 3.456,53 131.56,54 2.772,55 2.772,56 39908,57 13.322,58 5.087,59 3.058,60 3.108,61 4.888,62 2.087,63 9.645,64 7000,65 53.481,66 21.173,67 37,68 2.202,69 6.854}
{0 CHEMBL104296,1 2.521,2 2.521,3 3.45,4 3.45,5 210.223,6 2.928,7 11.209,8 400,9 613.31,10 3.711,11 3.991,12 426.132,13 1.294,14 6.113,15 389.438,16 4.286,17 2.297,18 27.567,19 368.49,20 563.16,21 3.493,22 1.363,23 2.849,24 0.701,25 2.863,26 415.285,27 11.023,28 1.5,29 3.367,30 3.367,31 28,32 4.043,33 384,34 207.321,35 41.952,36 56,37 0.103,38 1.416,39 1.416,40 86.533,41 3.373,42 3.946,43 10.213,44 4.284,45 4.97,46 5.342,47 114.773,48 2.393,49 1.276,50 3.958,51 2.384,52 3.726,53 47.042,54 2.551,55 2.551,56 22557,57 13.136,58 4.224,59 3.723,60 3.673,61 4.752,62 2.02,63 10.631,64 7922,65 56.275,66 18.277,67 38,68 2.454,69 5.824}
{0 CHEMBL104541,1 2.521,2 2.521,3 3.45,4 3.45,5 210.223,6 2.928,7 11.209,8 368,9 563.55,10 3.699,11 3.991,12 393.095,13 1.288,14 6.113,15 350.165,16 4.284,17 2.269,18 27.4,19 366.52,20 516.76,21 3.497,22 1.363,23 2.849,24 0.701,25 2.863,26 381.424,27 11.339,28 1.5,29 3.367,30 3.367,31 28,32 4.043,33 352,34 203.335,35 41.952,36 55,37 0.103,38 1.416,39 1.416,40 85.716,41 3.365,42 3.945,43 10.213,44 4.284,45 4.97,46 5.342,47 114.773,48 2.409,49 1.444,50 3.939,51 2.384,52 3.726,53 31.927,54 2.551,55 2.551,56 20745,57 13.136,58 4.224,59 3.726,60 3.678,61 4.728,62 2.02,63 11.815,64 7922,65 56.275,66 18.315,67 38,68 2.707,69 5.796}
{0 CHEMBL104785,1 2.583,2 2.583,3 3.441,4 3.441,5 187.662,6 2.919,7 11.246,8 424,9 681.5,10 3.67,11 4.073,12 456.897,13 1.099,14 6.039,15 441.438,16 4.873,17 2.395,18 28.01,19 360.39,20 679.05,21 3.528,22 0.976,23 2.453,24 1.028,25 2.686,26 532.77,27 9.204,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 486,34 201.719,35 38.118,36 56.5,37 0.062,38 1.232,39 1.232,40 80.501,41 3.646,42 3.996,43 8.331,44 4.127,45 4.812,46 5.273,47 110.217,48 2.212,49 1.32,50 4.038,51 2,52 3.445,53 86.679,54 2.243,55 2.243,56 23507,57 13.176,58 4.19,59 3.063,60 3.089,61 4.888,62 1.767,63 9.554,64 5245,65 48.273,66 18.404,67 34,68 2.117,69 5.796}
{0 CHEMBL104818,1 2.517,2 2.517,3 3.448,4 3.448,5 213.304,6 2.932,7 11.221,8 368,9 563.8,10 3.699,11 4.056,12 393.23,13 1.325,14 6.113,15 350.165,16 4.292,17 2.226,18 27.4,19 366.52,20 516.78,21 3.494,22 1.292,23 2.801,24 0.799,25 2.864,26 381.488,27 12.591,28 1.753,29 3.367,30 3.367,31 28,32 4.043,33 352,34 203.335,35 41.866,36 55,37 0.054,38 1.417,39 1.417,40 85.716,41 3.574,42 3.964,43 10.145,44 4.284,45 4.97,46 5.342,47 114.494,48 2.407,49 1.446,50 3.939,51 2.45,52 3.726,53 31.927,54 2.732,55 2.732,56 19645,57 13.137,58 4.188,59 3.727,60 3.678,61 4.845,62 2.021,63 11.585,64 7474,65 56.127,66 18.315,67 38,68 2.75,69 6.509}
{0 CHEMBL105065,1 2.532,2 2.532,3 3.464,4 3.464,5 228.223,6 2.967,7 11.632,8 379,9 581.7,10 3.728,11 4.126,12 404.197,13 1.328,14 6.154,15 361.165,16 4.46,17 2.239,18 28.7,19 380.55,20 527.78,21 3.504,22 1.534,23 3.041,24 0.979,25 2.888,26 387.754,27 14.05,28 1.762,29 3.401,30 3.401,31 29,32 4.078,33 358,34 212.335,35 44.398,36 57,37 0.066,38 1.45,39 1.45,40 88.281,41 3.683,42 4.054,43 10.823,44 4.311,45 4.997,46 5.389,47 123.006,48 2.426,49 1.588,50 3.981,51 2.456,52 3.726,53 31.927,54 2.753,55 2.753,56 20542,57 13.203,58 4.257,59 3.727,60 3.679,61 4.922,62 2.051,63 13.862,64 7999,65 58.408,66 19.286,67 42,68 2.882,69 7.143}
{0 CHEMBL105151,1 2.725,2 2.725,3 3.44,4 3.44,5 228.434,6 3.275,7 12.898,8 444,9 703.37,10 3.774,11 4.171,12 474.88,13 1.383,14 6.143,15 460.529,16 6.193,17 2.591,18 31.31,19 400.46,20 707.03,21 3.653,22 1,23 2.717,24 1.139,25 2.919,26 552.271,27 11.618,28 1.77,29 3.401,30 3.401,31 29,32 4.078,33 506,34 233.979,35 43.287,36 62.5,37 0.074,38 1.499,39 1.499,40 89.661,41 3.955,42 4.218,43 9.645,44 4.22,45 4.905,46 5.46,47 127.116,48 2.458,49 1.44,50 4.108,51 2.484,52 3.662,53 86.679,54 2.792,55 2.792,56 27963,57 13.232,58 5.001,59 3.681,60 3.654,61 5.029,62 2.086,63 10.747,64 7861,65 54.04,66 19.816,67 37,68 2.461,69 7.444}
{0 CHEMBL105193,1 2.628,2 2.628,3 3.44,4 3.44,5 230.745,6 3.254,7 12.956,8 435,9 689.17,10 3.782,11 4.19,12 467.59,13 1.42,14 6.13,15 450.619,16 6.209,17 2.515,18 33.21,19 416.51,20 700.99,21 3.564,22 1,23 2.717,24 1.208,25 2.921,26 551.017,27 11.954,28 1.782,29 3.401,30 3.401,31 29,32 4.078,33 504,34 228.646,35 44.045,36 64.5,37 0.153,38 1.503,39 1.503,40 92.01,41 3.988,42 4.241,43 9.518,44 4.205,45 4.89,46 5.407,47 124.75,48 2.461,49 1.562,50 4.123,51 2.364,52 3.557,53 86.679,54 2.803,55 2.803,56 28367,57 13.211,58 4.934,59 3.591,60 3.572,61 5.197,62 2.089,63 11.917,64 8065,65 53.973,66 22.355,67 39,68 2.426,69 7.77}
{0 CHEMBL105296,1 2.67,2 2.67,3 3.44,4 3.44,5 231.726,6 3.141,7 12.995,8 439,9 694.03,10 3.782,11 4.203,12 470.649,13 1.367,14 6.13,15 455.529,16 6.218,17 2.555,18 33.21,19 416.51,20 702.65,21 3.596,22 1,23 2.717,24 1.181,25 2.915,26 551.004,27 12.962,28 1.756,29 3.401,30 3.401,31 29,32 4.078,33 504,34 228.646,35 43.925,36 64.5,37 0.087,38 1.497,39 1.497,40 91.919,41 4.013,42 4.264,43 9.271,44 4.205,45 4.89,46 5.407,47 124.683,48 2.456,49 1.577,50 4.128,51 2.385,52 3.532,53 86.679,54 2.77,55 2.77,56 28175,57 13.213,58 4.781,59 3.557,60 3.539,61 5.197,62 2.077,63 12.385,64 7973,65 54.003,66 22.355,67 39,68 2.39,69 7.682}
{0 CHEMBL105671,1 2.603,2 2.603,3 3.44,4 3.44,5 189.715,6 2.922,7 11.273,8 412,9 653.93,10 3.67,11 4.06,12 444.85,13 1.072,14 6.039,15 426.71,16 5.563,17 2.449,18 28.01,19 360.39,20 672.69,21 3.542,22 0.86,23 2.467,24 1.125,25 2.701,26 532.065,27 9.375,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 486,34 208.65,35 38.062,36 56.5,37 0.012,38 1.251,39 1.251,40 80.854,41 3.636,42 4.137,43 8.331,44 4.127,45 4.812,46 5.273,47 110.576,48 2.229,49 1.274,50 4.011,51 2,52 3.429,53 86.679,54 2.234,55 2.234,56 21971,57 13.181,58 4.183,59 3.06,60 3.092,61 4.888,62 1.786,63 9.447,64 5053,65 48.449,66 18.404,67 34,68 2.18,69 5.678}
{0 CHEMBL106561,1 2.784,2 2.784,3 3.44,4 3.44,5 254.707,6 3.371,7 13.844,8 501,9 792.48,10 3.845,11 4.283,12 536.635,13 1.793,14 6.212,15 526.619,16 6.788,17 2.815,18 35.543,19 446.49,20 814.77,21 3.717,22 1.046,23 2.919,24 1.236,25 2.924,26 641.798,27 12.762,28 1.799,29 3.466,30 3.466,31 31,32 4.143,33 588,34 246.183,35 47.36,36 70.5,37 0.203,38 1.518,39 1.518,40 98.868,41 4.144,42 4.321,43 10.174,44 4.277,45 4.963,46 5.476,47 134.476,48 2.467,49 1.532,50 4.197,51 2.479,52 3.578,53 97.679,54 3.17,55 3.17,56 40430,57 13.282,58 5.138,59 3.444,60 3.467,61 5.236,62 2.091,63 11.944,64 9739,65 58.24,66 23.975,67 43,68 2.438,69 6.638}
{0 CHEMBL106774,1 2.532,2 2.532,3 3.466,4 3.466,5 224.612,6 2.956,7 11.62,8 397,9 615.1,10 3.736,11 4.053,12 423.631,13 1.306,14 6.154,15 386.165,16 4.607,17 2.282,18 28.914,19 384.51,20 584.4,21 3.503,22 1.534,23 3.041,24 0.826,25 2.894,26 439.877,27 11.356,28 1.5,29 3.401,30 3.401,31 29,32 4.078,33 406,34 216.409,35 44.41,36 58.5,37 0.12,38 1.459,39 1.459,40 89.147,41 3.588,42 4.064,43 10.213,44 4.311,45 4.997,46 5.389,47 122.928,48 2.433,49 1.701,50 3.998,51 2.483,52 3.726,53 31.927,54 2.589,55 2.589,56 25006,57 13.201,58 4.27,59 3.726,60 3.678,61 4.77,62 2.06,63 11.926,64 8503,65 58.384,66 19.223,67 42,68 2.676,69 4.523}
{0 CHEMBL106909,1 2.518,2 2.518,3 3.446,4 3.446,5 221.428,6 2.937,7 11.562,8 396,9 608.44,10 3.74,11 4.078,12 423.366,13 1.392,14 6.129,15 383.619,16 4.438,17 2.412,18 28.867,19 382.52,20 565.5,21 3.499,22 1.534,23 3.033,24 0.91,25 2.905,26 419.097,27 11.373,28 1.784,29 3.401,30 3.401,31 29,32 4.078,33 388,34 210.989,35 43.278,36 58,37 0.103,38 1.475,39 1.475,40 89.624,41 3.586,42 3.991,43 10.462,44 4.297,45 4.984,46 5.371,47 117.814,48 2.449,49 1.387,50 3.979,51 2.456,52 3.759,53 44.985,54 2.788,55 2.788,56 23638,57 13.138,58 4.199,59 3.743,60 3.682,61 5.012,62 2.073,63 11.337,64 8587,65 57.775,66 19.248,67 39,68 2.582,69 6.357}
{0 CHEMBL107114,1 2.703,2 2.703,3 3.44,4 3.44,5 251.12,6 3.255,7 13.605,8 452,9 714.89,10 3.827,11 4.223,12 483.204,13 1.516,14 6.173,15 468.529,16 6.503,17 2.58,18 33.91,19 428.52,20 718.55,21 3.629,22 1.168,23 3.219,24 1.076,25 2.919,26 560.595,27 12.77,28 1.775,29 3.466,30 3.466,31 31,32 4.143,33 514,34 241.979,35 46.14,36 66.5,37 0.12,38 1.511,39 1.511,40 95.661,41 4.076,42 4.269,43 10.145,44 4.248,45 4.934,46 5.476,47 133.63,48 2.471,49 1.638,50 4.182,51 2.714,52 3.668,53 86.679,54 3.041,55 3.041,56 31619,57 13.228,58 4.977,59 3.694,60 3.664,61 4.965,62 2.086,63 12.134,64 9625,65 57.201,66 21.766,67 41,68 3.191,69 7.538}
{0 CHEMBL107806,1 2.532,2 2.532,3 3.481,4 3.481,5 224.612,6 2.997,7 11.62,8 408,9 628.19,10 3.728,11 4.04,12 435.239,13 1.323,14 6.182,15 393.801,16 4.545,17 2.221,18 28.267,19 380.5,20 582.96,21 3.504,22 1.534,23 3.041,24 0.826,25 2.904,26 434.785,27 11.224,28 1.5,29 3.401,30 3.401,31 29,32 4.078,33 400,34 214.66,35 44.41,36 58,37 0.12,38 1.459,39 1.459,40 88.859,41 3.543,42 4.038,43 10.884,44 4.337,45 5.024,46 5.389,47 122.928,48 2.437,49 1.373,50 3.984,51 2.483,52 3.726,53 31.927,54 2.589,55 2.589,56 24921,57 13.243,58 4.27,59 3.726,60 3.678,61 4.799,62 2.071,63 11.107,64 8503,65 59.422,66 18.97,67 42,68 2.605,69 5.377}
{0 CHEMBL107948,1 2.624,2 2.624,3 3.44,4 3.44,5 220.526,6 3.146,7 12.836,8 430,9 681.89,10 3.755,11 4.169,12 462.952,13 1.402,14 6.115,15 445.619,16 6.056,17 2.502,18 31.91,19 402.48,20 694.79,21 3.559,22 0.993,23 2.716,24 1.208,25 2.92,26 547.134,27 11.636,28 1.777,29 3.367,30 3.367,31 28,32 4.043,33 500,34 223.646,35 42.277,36 62.5,37 0.153,38 1.502,39 1.502,40 88.782,41 3.938,42 4.21,43 8.906,44 4.19,45 4.875,46 5.38,47 122.284,48 2.46,49 1.462,50 4.101,51 2,52 3.504,53 86.679,54 2.794,55 2.794,56 26556,57 13.203,58 4.61,59 3.532,60 3.514,61 4.954,62 2.084,63 10.683,64 7200,65 53.04,66 21.366,67 37,68 2.395,69 7.569}
{0 CHEMBL108735,1 2.532,2 2.532,3 3.566,4 3.566,5 234.217,6 3.182,7 11.718,8 375,9 585.84,10 3.522,11 3.96,12 396.464,13 1.595,14 6.137,15 396.24,16 4.514,17 2.678,18 28.133,19 353.4,20 552.88,21 3.517,22 1.089,23 2.877,24 0.952,25 2.968,26 415.67,27 11.202,28 1.966,29 3.401,30 3.401,31 29,32 4.078,33 384,34 189.572,35 46.57,36 57.5,37 0.049,38 1.522,39 1.522,40 78.331,41 3.822,42 3.958,43 9.714,44 4.205,45 4.89,46 5.442,47 134.971,48 2.503,49 1.395,50 3.889,51 2.489,52 3.416,53 27.858,54 3.329,55 3.329,56 22164,57 13.075,58 4.948,59 3.245,60 3.268,61 4.825,62 2.166,63 11.523,64 7006,65 55.025,66 17.07,67 44,68 2.942,69 5.382}
{0 CHEMBL108939,1 2.878,2 2.878,3 3.596,4 3.596,5 272.591,6 3.476,7 14.302,8 527,9 832.6,10 3.876,11 4.23,12 565.698,13 1.637,14 6.298,15 548.983,16 6.788,17 2.711,18 34.876,19 452.49,20 828.39,21 3.797,22 1.74,23 3.235,24 1.153,25 2.928,26 641.673,27 12.548,28 2.087,29 3.526,30 3.526,31 33,32 4.205,33 590,34 258.411,35 49.984,36 71.5,37 0.235,38 1.549,39 1.549,40 102.469,41 3.873,42 4.325,43 11.049,44 4.413,45 5.1,46 5.541,47 143.753,48 2.486,49 1.627,50 4.223,51 2.718,52 3.739,53 108.166,54 3.378,55 3.378,56 46174,57 13.363,58 5.232,59 3.723,60 3.68,61 4.974,62 2.098,63 12.131,64 12019,65 64.55,66 22.921,67 46,68 2.658,69 4}
{0 CHEMBL1094123,1 2.036,2 2.036,3 2.206,4 2.206,5 128.763,6 2.697,7 7.753,8 233,9 363.87,10 3.204,11 3.414,12 247.496,13 1.074,14 5.554,15 249.551,16 2.935,17 1.738,18 22.3,19 263.37,20 344.98,21 3.011,22 0.302,23 1.699,24 0.528,25 2.155,26 257.916,27 6.219,28 0.966,29 3.045,30 3.045,31 20,32 3.714,33 240,34 116.415,35 30.208,36 41.5,37 0.037,38 1.025,39 1.025,40 57.826,41 2.704,42 3.457,43 6.235,44 3.651,45 4.331,46 4.977,47 77.851,48 2.022,49 0.948,50 3.53,51 1.244,52 3.183,53 13.757,54 1.819,55 1.819,56 7227,57 12.205,58 3.708,59 3.17,60 3.165,61 4.615,62 1.086,63 7.029,64 3155,65 34.13,66 14.194,67 25,68 1.502,69 5.523}
{0 CHEMBL1094124,1 2.133,2 2.133,3 2.463,4 2.463,5 127.796,6 2.677,7 7.86,8 232,9 360.75,10 3.204,11 3.333,12 246.779,13 1.068,14 5.554,15 248.551,16 2.921,17 1.742,18 22.3,19 263.37,20 344.4,21 3.089,22 0.305,23 1.691,24 0.479,25 2.129,26 258.11,27 6.065,28 0.94,29 3.045,30 3.045,31 20,32 3.714,33 240,34 114.86,35 30.027,36 41.5,37 0.037,38 1.025,39 1.025,40 57.725,41 2.704,42 3.418,43 6.09,44 3.651,45 4.331,46 4.977,47 77.64,48 2.022,49 0.941,50 3.53,51 1.242,52 3.185,53 13.757,54 1.819,55 1.819,56 7455,57 12.141,58 3.711,59 3.17,60 3.166,61 4.665,62 1.072,63 6.82,64 3207,65 34.216,66 14.194,67 24,68 1.499,69 5.714}
{0 CHEMBL1094125,1 2.174,2 2.174,3 2.619,4 2.619,5 160.718,6 2.697,7 8.826,8 283,9 446.1,10 3.347,11 3.714,12 303.476,13 1.322,14 5.718,15 304.703,16 3.371,17 1.863,18 25.767,19 305.41,20 431.92,21 3.136,22 0.745,23 2,24 0.823,25 2.58,26 325.833,27 7.853,28 1.078,29 3.178,30 3.178,31 23,32 3.85,33 304,34 136.017,35 35.175,36 48.5,37 0.054,38 1.132,39 1.132,40 67.633,41 2.978,42 3.729,43 7.307,44 3.795,45 4.477,46 5.118,47 90.542,48 2.1,49 1.103,50 3.668,51 1.615,52 3.305,53 27.942,54 2.357,55 2.357,56 11213,57 12.433,58 3.72,59 3.17,60 3.165,61 4.758,62 1.572,63 8.433,64 4472,65 39.398,66 16.819,67 31,68 1.727,69 5.523}
{0 CHEMBL1094133,1 2.036,2 2.036,3 2.206,4 2.206,5 128.763,6 2.697,7 7.753,8 241,9 377.53,10 3.209,11 3.437,12 255.966,13 1.075,14 5.554,15 263.854,16 2.981,17 1.739,18 22.348,19 265.36,20 372.7,21 3.008,22 0.302,23 1.699,24 0.528,25 2.155,26 283.711,27 5.985,28 0.966,29 3.045,30 3.045,31 20,32 3.714,33 264,34 117.955,35 30.208,36 42,37 0.037,38 1.025,39 1.025,40 58.115,41 2.717,42 3.474,43 5.763,44 3.651,45 4.331,46 4.977,47 77.851,48 2.022,49 1.063,50 3.542,51 1.244,52 3.183,53 22.878,54 1.819,55 1.819,56 7733,57 12.205,58 3.708,59 3.17,60 3.165,61 4.561,62 1.086,63 6.872,64 3155,65 34.13,66 14.168,67 25,68 1.488,69 5.146}
{0 CHEMBL1094134,1 2.133,2 2.133,3 2.463,4 2.463,5 127.796,6 2.677,7 7.86,8 240,9 373.93,10 3.209,11 3.345,12 255.115,13 1.069,14 5.554,15 262.854,16 2.959,17 1.742,18 22.348,19 265.36,20 372.08,21 3.082,22 0.305,23 1.691,24 0.479,25 2.129,26 283.856,27 6.022,28 0.94,29 3.045,30 3.045,31 20,32 3.714,33 264,34 116.109,35 30.027,36 42,37 0.037,38 1.025,39 1.025,40 58.014,41 2.717,42 3.43,43 5.763,44 3.651,45 4.331,46 4.977,47 77.64,48 2.022,49 0.997,50 3.542,51 1.242,52 3.186,53 22.878,54 1.819,55 1.819,56 8037,57 12.141,58 3.711,59 3.17,60 3.166,61 4.612,62 1.072,63 6.843,64 3207,65 34.216,66 14.168,67 24,68 1.487,69 6.194}
{0 CHEMBL1094145,1 2.036,2 2.036,3 2.206,4 2.206,5 128.763,6 2.697,7 7.753,8 225,9 351.01,10 3.2,11 3.401,12 239.122,13 1.074,14 5.554,15 239.366,16 2.898,17 1.736,18 22.233,19 262.39,20 325.34,21 3.013,22 0.302,23 1.699,24 0.528,25 2.155,26 240.122,27 6.44,28 0.966,29 3.045,30 3.045,31 20,32 3.714,33 224,34 115.393,35 30.208,36 41,37 0.037,38 1.025,39 1.025,40 57.537,41 2.698,42 3.449,43 6.235,44 3.651,45 4.331,46 4.977,47 77.851,48 2.022,49 1.007,50 3.523,51 1.244,52 3.183,53 16.513,54 1.819,55 1.819,56 6721,57 12.205,58 3.708,59 3.17,60 3.165,61 4.522,62 1.086,63 7.157,64 3155,65 34.13,66 14.194,67 25,68 1.527,69 5.523}
{0 CHEMBL1094146,1 2.133,2 2.133,3 2.463,4 2.463,5 127.796,6 2.677,7 7.86,8 224,9 348.37,10 3.2,11 3.327,12 238.514,13 1.068,14 5.554,15 238.366,16 2.891,17 1.741,18 22.233,19 262.39,20 324.8,21 3.097,22 0.305,23 1.691,24 0.479,25 2.129,26 240.365,27 6.086,28 0.94,29 3.045,30 3.045,31 20,32 3.714,33 224,34 114.032,35 30.027,36 41,37 0.037,38 1.025,39 1.025,40 57.436,41 2.697,42 3.411,43 6.09,44 3.651,45 4.331,46 4.977,47 77.64,48 2.022,49 0.979,50 3.523,51 1.242,52 3.187,53 16.513,54 1.819,55 1.819,56 6873,57 12.141,58 3.711,59 3.173,60 3.168,61 4.619,62 1.072,63 6.782,64 3207,65 34.216,66 14.194,67 24,68 1.522,69 5.481}
{0 CHEMBL1094414,1 2.38,2 2.38,3 2.978,4 2.978,5 165.829,6 2.905,7 9.167,8 321,9 502.05,10 3.376,11 3.497,12 342.851,13 1.141,14 5.827,15 344.521,16 3.387,17 2.156,18 23.967,19 299.35,20 476.71,21 3.331,22 0.797,23 2.284,24 0.546,25 2.869,26 351.938,27 6.819,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 332,34 146.397,35 36.252,36 48.5,37 0.033,38 1.447,39 1.447,40 68.606,41 3.129,42 3.601,43 7.833,44 3.97,45 4.654,46 5.176,47 97.174,48 2.432,49 0.911,50 3.705,51 1.676,52 3.108,53 46.243,54 2.299,55 2.299,56 14604,57 12.474,58 4,59 2.975,60 2.993,61 4.456,62 1.948,63 7.091,64 5217,65 44.877,66 14.88,67 31,68 1.481,69 4.523}
{0 CHEMBL1094415,1 2.386,2 2.386,3 2.979,4 2.979,5 164.416,6 2.894,7 9.261,8 320,9 498.47,10 3.376,11 3.489,12 342.013,13 1.132,14 5.827,15 343.521,16 3.382,17 2.437,18 23.967,19 299.35,20 476.09,21 3.336,22 0.78,23 2.375,24 0.434,25 2.684,26 352.083,27 6.275,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 332,34 144.622,35 36.039,36 48.5,37 0.049,38 1.235,39 1.235,40 68.505,41 3.119,42 3.575,43 7.749,44 3.97,45 4.654,46 5.176,47 96.692,48 2.213,49 0.91,50 3.705,51 1.644,52 3.154,53 46.243,54 2.3,55 2.3,56 15036,57 12.427,58 4,59 2.989,60 3.017,61 4.599,62 1.763,63 7.059,64 5345,65 44.851,66 14.88,67 30,68 1.477,69 5.386}
{0 CHEMBL1094416,1 2.392,2 2.392,3 2.98,4 2.98,5 163.438,6 2.894,7 9.249,8 320,9 498.17,10 3.376,11 3.459,12 341.876,13 1.102,14 5.827,15 343.521,16 3.38,17 2.48,18 23.967,19 299.35,20 476.07,21 3.339,22 0.809,23 2.271,24 0.49,25 2.5,26 352.018,27 6.242,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 332,34 144.622,35 36.104,36 48.5,37 0.086,38 1,39 1,40 68.505,41 3.065,42 3.53,43 7.824,44 3.97,45 4.654,46 5.176,47 96.718,48 2,49 0.91,50 3.705,51 1.676,52 3.177,53 46.243,54 2.275,55 2.275,56 15468,57 12.424,58 4,59 3.002,60 3.034,61 4.375,62 1.5,63 7.114,64 5473,65 44.873,66 14.88,67 30,68 1.458,69 5.66}
{0 CHEMBL1094429,1 2.403,2 2.403,3 2.98,4 2.98,5 184.172,6 3.069,7 10.482,8 350,9 541.03,10 3.445,11 3.632,12 372.666,13 1.381,14 5.936,15 374.866,16 3.725,17 2.589,18 26.067,19 326.38,20 521.21,21 3.352,22 0.892,23 2.428,24 0.546,25 2.894,26 389.314,27 7.1,28 1.739,29 3.296,30 3.296,31 26,32 3.97,33 364,34 154.958,35 39.149,36 53,37 0.122,38 1.459,39 1.459,40 73.51,41 3.225,42 3.686,43 7.976,44 4.06,45 4.745,46 5.263,47 105.377,48 2.443,49 1.002,50 3.794,51 1.755,52 3.426,53 32.757,54 2.637,55 2.637,56 20231,57 12.524,58 4.367,59 3.289,60 3.312,61 4.785,62 1.989,63 7.383,64 6795,65 49.031,66 16.493,67 32,68 1.561,69 4.523}
{0 CHEMBL1094430,1 2.419,2 2.419,3 2.983,4 2.983,5 182.539,6 3.086,7 10.47,8 350,9 540.75,10 3.445,11 3.603,12 372.53,13 1.317,14 5.936,15 374.866,16 3.72,17 2.582,18 26.067,19 326.38,20 521.19,21 3.367,22 0.88,23 2.416,24 0.546,25 2.894,26 389.249,27 7.026,28 1.5,29 3.296,30 3.296,31 26,32 3.97,33 364,34 154.958,35 39.16,36 53,37 0.086,38 1.46,39 1.46,40 73.51,41 3.159,42 3.652,43 8.051,44 4.06,45 4.745,46 5.263,47 105.26,48 2.443,49 1.002,50 3.794,51 2,52 3.43,53 32.757,54 2.308,55 2.308,56 21095,57 12.521,58 4.397,59 3.289,60 3.313,61 4.642,62 1.989,63 7.528,64 7051,65 48.982,66 16.493,67 32,68 1.564,69 4.523}
{0 CHEMBL1094460,1 2.179,2 2.179,3 2.569,4 2.569,5 127.175,6 2.5,7 7.848,8 224,9 348.11,10 3.2,11 3.284,12 238.379,13 1,14 5.554,15 238.366,16 2.887,17 1.742,18 22.233,19 262.39,20 324.78,21 3.14,22 0.32,23 1.699,24 0.504,25 2.187,26 240.3,27 5.711,28 0.985,29 3.045,30 3.045,31 20,32 3.714,33 224,34 114.032,35 30.024,36 41,37 0.037,38 1,39 1,40 57.436,41 2.722,42 3.372,43 6.173,44 3.651,45 4.331,46 4.977,47 77.45,48 2,49 0.973,50 3.523,51 1.245,52 3.19,53 16.513,54 1.829,55 1.829,56 7025,57 12.137,58 3.711,59 3.174,60 3.171,61 4.375,62 1.12,63 7.137,64 3259,65 34.132,66 14.194,67 24,68 1.521,69 5.231}
{0 CHEMBL1094461,1 2.299,2 2.299,3 2.761,4 2.761,5 158.025,6 2.697,7 8.9,8 282,9 443.1,10 3.347,11 3.578,12 302.82,13 1.308,14 5.718,15 303.703,16 3.357,17 1.991,18 25.767,19 305.41,20 431.36,21 3.255,22 0.746,23 1.752,24 0.688,25 2.57,26 326.052,27 7.579,28 1.071,29 3.178,30 3.178,31 23,32 3.85,33 304,34 134.85,35 34.974,36 48.5,37 0.054,38 1.11,39 1.11,40 67.532,41 3.077,42 3.636,43 7.317,44 3.795,45 4.477,46 5.118,47 90.143,48 2.086,49 1.08,50 3.668,51 1.667,52 3.303,53 27.942,54 2.354,55 2.354,56 11897,57 12.376,58 3.814,59 3.189,60 3.198,61 4.803,62 1.567,63 8.124,64 4680,65 39.413,66 16.819,67 30,68 1.672,69 5.87}
{0 CHEMBL1094462,1 2.329,2 2.329,3 2.798,4 2.798,5 156.157,6 2.697,7 8.888,8 282,9 442.83,10 3.347,11 3.468,12 302.684,13 1.298,14 5.718,15 303.703,16 3.348,17 2.032,18 25.767,19 305.41,20 431.34,21 3.284,22 0.744,23 2,24 0.657,25 2.5,26 325.987,27 7.27,28 1.09,29 3.178,30 3.178,31 23,32 3.85,33 304,34 134.85,35 35.032,36 48.5,37 0.054,38 1.03,39 1.03,40 67.532,41 3.292,42 3.609,43 7.378,44 3.795,45 4.477,46 5.118,47 90.073,48 2.025,49 1.076,50 3.668,51 1.613,52 3.301,53 27.942,54 2.275,55 2.275,56 12581,57 12.373,58 3.843,59 3.2,60 3.209,61 4.625,62 1.5,63 8.082,64 4888,65 39.403,66 16.819,67 30,68 1.644,69 5.914}
{0 CHEMBL1094733,1 2.38,2 2.38,3 2.979,4 2.979,5 154.215,6 2.894,7 9.08,8 318,9 493.93,10 3.377,11 3.473,12 337.848,13 1.095,14 5.807,15 329.838,16 3.271,17 2.484,18 22.286,19 303.76,20 487.07,21 3.328,22 0.621,23 2,24 0.428,25 2.5,26 367.809,27 5.725,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 344,34 146.723,35 34.78,36 45.833,37 0.049,38 1,39 1,40 67.337,41 3.175,42 3.507,43 7.704,44 3.951,45 4.635,46 5.142,47 93.667,48 2,49 0.797,50 3.75,51 1.627,52 3.365,53 33.501,54 2.275,55 2.275,56 15389,57 12.399,58 4,59 2.964,60 2.994,61 4.479,62 1.5,63 6.027,64 4782,65 43.613,66 14.233,67 28,68 1.51,69 6.444}
{0 CHEMBL1094734,1 2.377,2 2.377,3 2.978,4 2.978,5 155.615,6 2.882,7 8.976,8 295,9 459.42,10 3.317,11 3.405,12 313.778,13 1.137,14 5.807,15 313.976,16 3.258,17 1.946,18 22.5,19 283.35,20 428.81,21 3.33,22 0.671,23 2,24 0.483,25 2.833,26 314.371,27 6.537,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 296,34 138.296,35 34.952,36 45.5,37 0.033,38 1.414,39 1.414,40 64.263,41 2.982,42 3.492,43 7.532,44 3.951,45 4.635,46 5.142,47 94.063,48 2.414,49 0.928,50 3.661,51 1.626,52 3.108,53 33.186,54 2.299,55 2.299,56 11963,57 12.448,58 4,59 3.026,60 3.008,61 4.554,62 1.931,63 6.926,64 4654,65 43.616,66 13.959,67 29,68 1.464,69 4.523}
{0 CHEMBL1094762,1 1.957,2 1.957,3 2.204,4 2.204,5 117.182,6 2.5,7 7.226,8 206,9 320.37,10 3.147,11 3.228,12 218.468,13 1,14 5.465,15 219.521,16 2.723,17 1.722,18 20.833,19 247.37,20 300.71,21 2.948,22 0.301,23 1.555,24 0.393,25 2.126,26 221.699,27 5.967,28 0.936,29 2.996,30 2.996,31 19,32 3.664,33 208,34 106.199,35 28.056,36 38.5,37 0.021,38 1,39 1,40 54.784,41 2.594,42 3.314,43 5.763,44 3.57,45 4.248,46 4.905,47 71.28,48 2,49 0.919,50 3.451,51 1.051,52 3.182,53 13.757,54 1.813,55 1.813,56 5766,57 11.979,58 3.459,59 3.17,60 3.165,61 4.336,62 1.069,63 6.804,64 2828,65 32.382,66 13.255,67 22,68 1.469,69 4.86}
{0 CHEMBL1094763,1 2.582,2 2.582,3 3.215,4 3.215,5 208.374,6 3.12,7 11.841,8 360,9 558.78,10 3.502,11 3.672,12 386.603,13 1.763,14 6.124,15 380.384,16 4.042,17 2.778,18 27.9,19 350.45,20 523.88,21 3.546,22 0.947,23 2.704,24 0.875,25 2.937,26 388.693,27 8.099,28 1.809,29 3.367,30 3.367,31 28,32 4.043,33 362,34 170.63,35 43.181,36 56,37 0.209,38 1.599,39 1.599,40 77.374,41 3.262,42 3.781,43 9.102,44 4.159,45 4.844,46 5.38,47 123.828,48 2.58,49 1.432,50 3.88,51 2.279,52 3.437,53 67.43,54 2.913,55 2.913,56 21520,57 12.946,58 4.761,59 3.439,60 3.431,61 4.642,62 1.996,63 9.956,64 8381,65 53.235,66 18.29,67 38,68 1.749,69 5.31}
{0 CHEMBL1094764,1 2.582,2 2.582,3 3.215,4 3.215,5 208.374,6 3.12,7 11.841,8 360,9 558.78,10 3.502,11 3.672,12 386.603,13 1.763,14 6.124,15 380.384,16 4.042,17 2.778,18 27.9,19 350.45,20 523.88,21 3.546,22 0.947,23 2.704,24 0.875,25 2.937,26 388.693,27 8.099,28 1.809,29 3.367,30 3.367,31 28,32 4.043,33 362,34 170.63,35 43.181,36 56,37 0.209,38 1.599,39 1.599,40 77.374,41 3.262,42 3.781,43 9.102,44 4.159,45 4.844,46 5.38,47 123.828,48 2.58,49 1.432,50 3.88,51 2.279,52 3.437,53 67.43,54 2.913,55 2.913,56 21520,57 12.946,58 4.761,59 3.439,60 3.431,61 4.642,62 1.996,63 9.956,64 8381,65 53.235,66 18.29,67 38,68 1.749,69 4.523}
{0 CHEMBL1095385,1 1.957,2 1.957,3 2.204,4 2.204,5 117.182,6 2.5,7 7.226,8 206,9 320.37,10 3.147,11 3.228,12 218.468,13 1,14 5.465,15 219.521,16 2.723,17 1.722,18 20.833,19 247.37,20 300.71,21 2.948,22 0.301,23 1.555,24 0.393,25 2.126,26 221.699,27 5.967,28 0.936,29 2.996,30 2.996,31 19,32 3.664,33 208,34 106.199,35 28.056,36 38.5,37 0.021,38 1,39 1,40 54.784,41 2.594,42 3.314,43 5.763,44 3.57,45 4.248,46 4.905,47 71.28,48 2,49 0.919,50 3.451,51 1.051,52 3.182,53 13.757,54 1.813,55 1.813,56 5766,57 11.979,58 3.459,59 3.17,60 3.165,61 4.336,62 1.069,63 6.804,64 2828,65 32.382,66 13.255,67 22,68 1.469,69 6.229}
{0 CHEMBL1095638,1 2.179,2 2.179,3 2.569,4 2.569,5 127.175,6 2.5,7 7.848,8 216,9 336.55,10 3.196,11 3.28,12 230.187,13 1,14 5.554,15 229.521,16 2.872,17 1.742,18 22.133,19 261.4,20 313.26,21 3.149,22 0.32,23 1.699,24 0.504,25 2.187,26 230.555,27 6.025,28 0.985,29 3.045,30 3.045,31 20,32 3.714,33 216,34 113.199,35 30.024,36 40.5,37 0.037,38 1,39 1,40 57.148,41 2.731,42 3.371,43 6.173,44 3.651,45 4.331,46 4.977,47 77.45,48 2,49 1.027,50 3.516,51 1.245,52 3.194,53 16.942,54 1.829,55 1.829,56 6367,57 12.137,58 3.711,59 3.192,60 3.184,61 4.463,62 1.12,63 7.397,64 3259,65 34.132,66 14.232,67 24,68 1.593,69 5.418}
{0 CHEMBL1095701,1 1.966,2 1.966,3 2.205,4 2.205,5 132.321,6 2.5,7 7.933,8 214,9 331.89,10 3.243,11 3.331,12 226.791,13 1,14 5.522,15 227.521,16 3.011,17 1.76,18 23.433,19 275.43,20 312.23,21 2.958,22 0.5,23 1.609,24 0.393,25 2.406,26 230.022,27 7.384,28 0.998,29 3.091,30 3.091,31 21,32 3.761,33 216,34 114.199,35 30.582,36 42.5,37 0.057,38 1,39 1,40 60.784,41 2.848,42 3.409,43 6.263,44 3.624,45 4.304,46 4.99,47 76.374,48 2,49 1.075,50 3.533,51 1.36,52 3.326,53 13.757,54 2.136,55 2.136,56 7708,57 11.992,58 3.469,59 3.321,60 3.315,61 4.17,62 1.399,63 8.213,64 4058,65 34.93,66 15.212,67 24,68 1.719,69 5.921}
{0 CHEMBL1095702,1 1.95,2 1.95,3 2.202,4 2.202,5 109.628,6 2.5,7 6.872,8 202,9 314.61,10 3.095,11 3.172,12 214.306,13 0.893,14 5.435,15 215.521,16 2.579,17 1.631,18 19.533,19 233.34,20 294.95,21 2.94,22 -0.108,23 1.441,24 0.393,25 2.083,26 217.537,27 5.254,28 0.686,29 2.944,30 2.944,31 18,32 3.611,33 204,34 102.199,35 26.855,36 36.5,37 0.021,38 0.868,39 0.868,40 51.784,41 2.364,42 3.263,43 5.513,44 3.541,45 4.22,46 4.86,47 68.813,48 1.827,49 0.841,50 3.407,51 1,52 3.081,53 13.757,54 1.172,55 1.172,56 4965,57 11.972,58 3.456,59 3.063,60 3.058,61 4.35,62 0.998,63 6.095,64 2329,65 31.162,66 12.28,67 21,68 1.334,69 6.102}
{0 CHEMBL1095703,1 1.94,2 1.94,3 2.198,4 2.198,5 102.046,6 2.4,7 6.519,8 198,9 308.85,10 3.041,11 3.113,12 210.144,13 0.731,14 5.404,15 211.521,16 2.434,17 1.471,18 18.233,19 219.31,20 289.19,21 2.929,22 -0.39,23 1.084,24 0.393,25 2.06,26 213.376,27 4.542,28 0.233,29 2.89,30 2.89,31 17,32 3.555,33 200,34 98.199,35 25.49,36 34.5,37 0.012,38 0.848,39 0.848,40 48.784,41 2.069,42 3.21,43 5.263,44 3.512,45 4.19,46 4.812,47 66.185,48 1.787,49 0.762,50 3.362,51 1,52 2.957,53 13.757,54 0.364,55 0.364,56 4272,57 11.965,58 3.396,59 2.928,60 2.925,61 4.332,62 0.979,63 5.381,64 1902,65 29.831,66 11.308,67 20,68 1.257,69 5.886}
{0 CHEMBL1095704,1 2.274,2 2.274,3 2.967,4 2.967,5 136.789,6 2.78,7 8.116,8 256,9 396.41,10 3.209,11 3.333,12 271.547,13 1,14 5.715,15 269.521,16 2.971,17 1.76,18 19.733,19 253.32,20 367.04,21 3.244,22 0.5,23 1.617,24 0.424,25 2.5,26 268.202,27 5.438,28 1.5,29 3.091,30 3.091,31 21,32 3.761,33 252,34 122.199,35 31.373,36 40.5,37 0.016,38 1,39 1,40 57.89,41 2.643,42 3.377,43 6.688,44 3.871,45 4.554,46 5.043,47 84.255,48 2,49 0.874,50 3.547,51 1.555,52 3.045,53 16.942,54 2.136,55 2.136,56 8693,57 12.278,58 3.585,59 2.986,60 2.994,61 4.102,62 1.5,63 6.191,64 3480,65 40.282,66 12.092,67 25,68 1.505,69 4.6}
{0 CHEMBL1095705,1 2.349,2 2.349,3 2.977,4 2.977,5 144.08,6 2.876,7 8.458,8 284,9 440.67,10 3.274,11 3.347,12 301.337,13 1.081,14 5.738,15 302.976,16 3.106,17 1.775,18 21.2,19 269.32,20 415.72,21 3.308,22 0.587,23 1.673,24 0.372,25 2.5,26 305.717,27 5.509,28 1.5,29 3.135,30 3.135,31 22,32 3.807,33 288,34 129.964,35 32.759,36 43.5,37 0.016,38 1,39 1,40 61.799,41 2.833,42 3.401,43 7.005,44 3.892,45 4.575,46 5.081,47 87.456,48 2,49 0.809,50 3.605,51 1.555,52 3.108,53 30,54 2.136,55 2.136,56 11182,57 12.28,58 3.634,59 2.95,60 2.982,61 4.172,62 1.5,63 5.841,64 4183,65 41.844,66 13.005,67 26,68 1.363,69 5.456}
{0 CHEMBL1095745,1 2.178,2 2.178,3 2.603,4 2.603,5 137.294,6 2.697,7 8.029,8 248,9 383.42,10 3.233,11 3.393,12 264.51,13 1.124,14 5.695,15 262.93,16 3.034,17 2.267,18 22.333,19 272.38,20 367.4,21 3.143,22 0.603,23 1.699,24 0.542,25 2.619,26 275.678,27 6.303,28 0.958,29 3.091,30 3.091,31 21,32 3.761,33 256,34 118.865,35 31.39,36 43,37 0.037,38 1.025,39 1.025,40 60.729,41 2.755,42 3.469,43 6.514,44 3.726,45 4.407,46 5.017,47 80.529,48 2.022,49 1.011,50 3.542,51 1.411,52 3.207,53 48.002,54 1.819,55 1.819,56 8924,57 12.3,58 3.711,59 3.183,60 3.181,61 4.665,62 1.076,63 7.129,64 3666,65 36.647,66 14.715,67 26,68 1.563,69 6.602}
{0 CHEMBL1095746,1 2.229,2 2.229,3 2.685,4 2.685,5 136.222,6 2.697,7 8.017,8 248,9 383.15,10 3.233,11 3.32,12 264.374,13 1.112,14 5.695,15 262.93,16 3.029,17 2.332,18 22.333,19 272.38,20 367.38,21 3.191,22 0.5,23 1.727,24 0.566,25 2.5,26 275.613,27 6.234,28 1.027,29 3.091,30 3.091,31 21,32 3.761,33 256,34 118.865,35 31.545,36 43,37 0.037,38 1,39 1,40 60.729,41 2.937,42 3.437,43 6.582,44 3.726,45 4.407,46 5.017,47 80.513,48 2,49 1.007,50 3.542,51 1.256,52 3.217,53 48.002,54 1.832,55 1.832,56 9304,57 12.297,58 3.711,59 3.193,60 3.191,61 4.465,62 1.275,63 7.045,64 3770,65 36.656,66 14.715,67 26,68 1.545,69 6.119}
{0 CHEMBL1095749,1 2.178,2 2.178,3 2.507,4 2.507,5 137.294,6 2.693,7 8.029,8 242,9 378.16,10 3.262,11 3.422,12 259.142,13 1.072,14 5.581,15 260.067,16 3,17 1.743,18 23.6,19 277.4,20 361.08,21 3.124,22 0.572,23 1.699,24 0.542,25 2.13,26 268.065,27 6.621,28 0.942,29 3.091,30 3.091,31 21,32 3.761,33 252,34 120.857,35 31.39,36 43.5,37 0.037,38 1.025,39 1.025,40 61.491,41 2.827,42 3.496,43 6.514,44 3.676,45 4.357,46 5.017,47 80.529,48 2.022,49 1.022,50 3.566,51 1.411,52 3.191,53 30,54 1.819,55 1.819,56 8100,57 12.173,58 3.711,59 3.173,60 3.169,61 4.705,62 1.072,63 7.769,64 3666,65 35.389,66 15.173,67 26,68 1.592,69 6.194}
{0 CHEMBL1095750,1 2.229,2 2.229,3 2.608,4 2.608,5 136.222,6 2.5,7 8.017,8 242,9 377.87,10 3.262,11 3.346,12 259.006,13 1,14 5.581,15 260.067,16 2.997,17 1.743,18 23.6,19 277.4,20 361.06,21 3.171,22 0.5,23 1.727,24 0.566,25 2.214,26 268,27 6.45,28 0.998,29 3.091,30 3.091,31 21,32 3.761,33 252,34 120.857,35 31.545,36 43.5,37 0.037,38 1,39 1,40 61.491,41 2.948,42 3.454,43 6.582,44 3.676,45 4.357,46 5.017,47 80.513,48 2,49 1.022,50 3.566,51 1.256,52 3.197,53 30,54 1.832,55 1.832,56 8404,57 12.169,58 3.711,59 3.175,60 3.173,61 4.519,62 1.149,63 7.932,64 3770,65 35.4,66 15.173,67 26,68 1.56,69 5.932}
{0 CHEMBL1095970,1 2.179,2 2.179,3 2.569,4 2.569,5 127.175,6 2.5,7 7.848,8 240,9 373.63,10 3.209,11 3.295,12 254.978,13 1,14 5.554,15 262.854,16 2.948,17 1.743,18 22.348,19 265.36,20 372.06,21 3.122,22 0.32,23 1.699,24 0.504,25 2.187,26 283.791,27 5.993,28 0.985,29 3.045,30 3.045,31 20,32 3.714,33 264,34 116.109,35 30.024,36 42,37 0.037,38 1,39 1,40 58.014,41 2.709,42 3.376,43 5.763,44 3.651,45 4.331,46 4.977,47 77.45,48 2,49 0.969,50 3.542,51 1.245,52 3.189,53 22.878,54 1.829,55 1.829,56 8341,57 12.137,58 3.711,59 3.17,60 3.167,61 4.407,62 1.12,63 6.781,64 3259,65 34.132,66 14.168,67 24,68 1.487,69 6.102}
{0 CHEMBL1096052,1 2.385,2 2.385,3 2.978,4 2.978,5 186.432,6 2.906,7 10.388,8 351,9 544.14,10 3.445,11 3.704,12 373.386,13 1.508,14 5.936,15 375.866,16 3.734,17 2.602,18 26.067,19 326.38,20 521.79,21 3.336,22 0.882,23 2.417,24 0.657,25 2.88,26 389.119,27 7.631,28 1.914,29 3.296,30 3.296,31 26,32 3.97,33 364,34 156.512,35 39.332,36 53,37 0.066,38 1.45,39 1.45,40 73.611,41 3.332,42 3.713,43 8.083,44 4.06,45 4.745,46 5.263,47 105.731,48 2.434,49 1.013,50 3.794,51 2,52 3.418,53 32.757,54 2.997,55 2.997,56 19367,57 12.567,58 4.145,59 3.289,60 3.31,61 4.633,62 1.985,63 7.457,64 6539,65 48.991,66 16.493,67 33,68 1.6,69 4.523}
{0 CHEMBL1096079,1 2.348,2 2.348,3 2.992,4 2.992,5 163.431,6 2.697,7 9.749,8 315,9 491.45,10 3.58,11 3.867,12 339.162,13 1.133,14 5.867,15 308.246,16 3.742,17 2.231,18 26.033,19 325.47,20 465.84,21 3.296,22 0.74,23 2,24 1,25 2.665,26 354.706,27 8.942,28 1.079,29 3.178,30 3.178,31 23,32 3.85,33 324,34 179.146,35 35.275,36 48.5,37 0.07,38 1.162,39 1.162,40 74.46,41 3.043,42 3.874,43 7.725,44 3.942,45 4.625,46 5.165,47 98.866,48 2.142,49 1.198,50 3.818,51 2,52 3.495,53 15.307,54 2.357,55 2.357,56 11684,57 13.039,58 3.782,59 3.459,60 3.45,61 4.714,62 1.692,63 10.054,64 4388,65 42.222,66 17.138,67 31,68 2.353,69 5.523}
{0 CHEMBL1096080,1 2.375,2 2.375,3 2.994,4 2.994,5 160.557,6 2.697,7 9.818,8 314,9 487.96,10 3.58,11 3.674,12 338.388,13 1.127,14 5.867,15 307.246,16 3.705,17 2.473,18 26.033,19 325.47,20 465.24,21 3.327,22 0.738,23 2,24 0.834,25 2.619,26 354.876,27 8.272,28 1.071,29 3.178,30 3.178,31 23,32 3.85,33 324,34 176.031,35 35.084,36 48.5,37 0.07,38 1.125,39 1.125,40 74.359,41 3.061,42 3.732,43 7.796,44 3.942,45 4.625,46 5.165,47 98.542,48 2.112,49 1.151,50 3.818,51 1.751,52 3.484,53 15.307,54 2.357,55 2.357,56 12444,57 13.005,58 3.874,59 3.442,60 3.423,61 4.758,62 1.662,63 9.141,64 4596,65 42.293,66 17.138,67 30,68 2.178,69 5.569}
{0 CHEMBL1096081,1 2.036,2 2.036,3 2.206,4 2.206,5 128.763,6 2.697,7 7.753,8 217,9 338.95,10 3.196,11 3.388,12 230.844,13 1.074,14 5.554,15 230.521,16 2.874,17 1.737,18 22.133,19 261.4,20 313.78,21 3.016,22 0.302,23 1.699,24 0.528,25 2.155,26 230.328,27 7.077,28 0.966,29 3.045,30 3.045,31 20,32 3.714,33 216,34 114.366,35 30.208,36 40.5,37 0.037,38 1.025,39 1.025,40 57.249,41 2.691,42 3.441,43 6.235,44 3.651,45 4.331,46 4.977,47 77.851,48 2.022,49 1.06,50 3.516,51 1.244,52 3.183,53 16.942,54 1.819,55 1.819,56 6215,57 12.205,58 3.708,59 3.17,60 3.165,61 4.606,62 1.086,63 8.134,64 3155,65 34.13,66 14.232,67 25,68 1.61,69 4.523}
{0 CHEMBL1096317,1 2.055,2 2.055,3 2.208,4 2.208,5 138.896,6 2.697,7 7.945,8 243,9 381.53,10 3.262,11 3.529,12 259.917,13 1.077,14 5.581,15 261.067,16 3.006,17 1.741,18 23.6,19 277.4,20 361.68,21 3.023,22 0.561,23 1.727,24 0.646,25 2.165,26 267.895,27 7.55,28 0.976,29 3.091,30 3.091,31 21,32 3.761,33 252,34 122.411,35 31.671,36 43.5,37 0.037,38 1.025,39 1.025,40 61.592,41 2.79,42 3.561,43 6.55,44 3.676,45 4.357,46 5.017,47 80.975,48 2.022,49 1.033,50 3.566,51 1.285,52 3.183,53 30,54 1.82,55 1.82,56 7796,57 12.238,58 3.711,59 3.17,60 3.165,61 4.658,62 1.092,63 7.94,64 3562,65 35.401,66 15.173,67 27,68 1.623,69 5.523}
{0 CHEMBL1096318,1 2.179,2 2.179,3 2.569,4 2.569,5 127.175,6 2.5,7 7.848,8 232,9 360.47,10 3.204,11 3.288,12 246.642,13 1,14 5.554,15 248.551,16 2.914,17 1.742,18 22.3,19 263.37,20 344.38,21 3.131,22 0.32,23 1.699,24 0.504,25 2.187,26 258.045,27 5.856,28 0.985,29 3.045,30 3.045,31 20,32 3.714,33 240,34 114.86,35 30.024,36 41.5,37 0.037,38 1,39 1,40 57.725,41 2.712,42 3.372,43 6.173,44 3.651,45 4.331,46 4.977,47 77.45,48 2,49 0.941,50 3.53,51 1.245,52 3.188,53 13.757,54 1.829,55 1.829,56 7683,57 12.137,58 3.711,59 3.171,60 3.167,61 4.465,62 1.12,63 6.952,64 3259,65 34.132,66 14.194,67 24,68 1.499,69 5.107}
{0 CHEMBL1096423,1 2.133,2 2.133,3 2.463,4 2.463,5 127.796,6 2.677,7 7.86,8 216,9 336.79,10 3.196,11 3.322,12 230.322,13 1.068,14 5.554,15 229.521,16 2.873,17 1.741,18 22.133,19 261.4,20 313.28,21 3.104,22 0.305,23 1.691,24 0.479,25 2.129,26 230.62,27 6.815,28 0.94,29 3.045,30 3.045,31 20,32 3.714,33 216,34 113.199,35 30.027,36 40.5,37 0.037,38 1.025,39 1.025,40 57.148,41 2.69,42 3.405,43 6.09,44 3.651,45 4.331,46 4.977,47 77.64,48 2.022,49 1.032,50 3.516,51 1.242,52 3.189,53 16.942,54 1.819,55 1.819,56 6291,57 12.141,58 3.711,59 3.183,60 3.176,61 4.654,62 1.072,63 7.345,64 3207,65 34.216,66 14.232,67 24,68 1.595,69 6.194}
{0 CHEMBL1096663,1 2.38,2 2.38,3 2.994,4 2.994,5 158.58,6 2.697,7 9.806,8 314,9 487.67,10 3.58,11 3.499,12 338.251,13 1.114,14 5.867,15 307.246,16 3.681,17 2.527,18 26.033,19 325.47,20 465.22,21 3.334,22 0.741,23 2,24 0.747,25 2.5,26 354.811,27 7.359,28 1.093,29 3.178,30 3.178,31 23,32 3.85,33 324,34 176.031,35 35.14,36 48.5,37 0.07,38 1.03,39 1.03,40 74.359,41 3.426,42 3.663,43 7.866,44 3.942,45 4.625,46 5.165,47 98.396,48 2.025,49 1.14,50 3.818,51 2,52 3.479,53 15.307,54 2.275,55 2.275,56 13204,57 13.003,58 3.893,59 3.433,60 3.413,61 4.58,62 1.5,63 8.602,64 4804,65 42.235,66 17.138,67 30,68 2.002,69 4.523}
{0 CHEMBL1096711,1 2.444,2 2.444,3 2.984,4 2.984,5 174.085,6 2.894,7 9.979,8 308,9 478.75,10 3.399,11 3.502,12 327.464,13 1.124,14 5.882,15 326.976,16 3.558,17 2.5,18 25.1,19 311.41,20 444.57,21 3.386,22 0.846,23 2.364,24 0.608,25 2.5,26 325.162,27 7.104,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 306,34 148.964,35 38.232,36 49.5,37 0.122,38 1.282,39 1.282,40 69.626,41 3.098,42 3.602,43 8.114,44 4.007,45 4.691,46 5.231,47 103.731,48 2.262,49 1.136,50 3.747,51 1.839,52 3.35,53 33.186,54 2.301,55 2.301,56 14473,57 12.501,58 4,59 3.36,60 3.347,61 4.544,62 1.5,63 8.681,64 6168,65 46.923,66 15.879,67 32,68 1.611,69 6.444}
{0 CHEMBL1096712,1 2.514,2 2.514,3 3.091,4 3.091,5 187.971,6 2.914,7 11.05,8 318,9 496.01,10 3.437,11 3.646,12 340.697,13 1.211,14 5.98,15 336.976,16 3.728,17 2.519,18 26.4,19 325.44,20 457.21,21 3.455,22 0.799,23 2.429,24 0.671,25 2.885,26 334.779,27 8.081,28 1.601,29 3.296,30 3.296,31 26,32 3.97,33 314,34 157.964,35 39.62,36 51.5,37 0.115,38 1.457,39 1.457,40 71.43,41 3.306,42 3.699,43 8.288,44 4.06,45 4.745,46 5.303,47 114.709,48 2.442,49 1.344,50 3.816,51 2,52 3.426,53 33.186,54 2.562,55 2.562,56 15194,57 12.792,58 4.5,59 3.441,60 3.43,61 4.463,62 1.964,63 9.658,64 6611,65 49.018,66 16.844,67 34,68 1.75,69 6.456}
{0 CHEMBL1096713,1 2.525,2 2.525,3 3.165,4 3.165,5 186.151,6 2.922,7 11.038,8 318,9 495.73,10 3.437,11 3.549,12 340.56,13 1.216,14 5.98,15 336.976,16 3.725,17 2.523,18 26.4,19 325.44,20 457.19,21 3.466,22 0.852,23 2.419,24 0.726,25 2.889,26 334.714,27 7.787,28 1.5,29 3.296,30 3.296,31 26,32 3.97,33 314,34 157.964,35 39.638,36 51.5,37 0.175,38 1.458,39 1.458,40 71.43,41 3.156,42 3.671,43 8.352,44 4.06,45 4.745,46 5.303,47 114.579,48 2.442,49 1.344,50 3.816,51 2,52 3.434,53 33.186,54 2.305,55 2.305,56 15626,57 12.79,58 4.578,59 3.437,60 3.429,61 4.362,62 1.966,63 9.704,64 6867,65 48.97,66 16.844,67 34,68 1.655,69 6.62}
{0 CHEMBL1097044,1 2.514,2 2.514,3 3.091,4 3.091,5 187.971,6 2.914,7 11.05,8 390,9 629.57,10 3.468,11 3.711,12 416.293,13 1.291,14 5.98,15 436.976,16 4.455,17 2.543,18 27.043,19 337.32,20 635.77,21 3.434,22 0.799,23 2.429,24 0.671,25 2.885,26 494.292,27 6.122,28 1.601,29 3.296,30 3.296,31 26,32 3.97,33 458,34 168.44,35 39.62,36 56,37 0.115,38 1.457,39 1.457,40 73.68,41 3.421,42 3.749,43 7.325,44 4.06,45 4.745,46 5.303,47 114.709,48 2.441,49 1.251,50 3.929,51 2,52 3.353,53 78.066,54 2.562,55 2.562,56 25526,57 12.792,58 4.5,59 3.034,60 3.091,61 4.649,62 1.964,63 6.67,64 6611,65 49.018,66 16.656,67 34,68 1.527,69 5.928}
{0 CHEMBL1097051,1 2.036,2 2.036,3 2.206,4 2.206,5 128.763,6 2.697,7 7.753,8 241,9 377.53,10 3.263,11 3.596,12 255.966,13 1.075,14 5.554,15 247.384,16 2.9,17 1.74,18 21.919,19 281.81,20 372.7,21 3.002,22 0.302,23 1.699,24 0.528,25 2.155,26 283.711,27 6.452,28 0.966,29 3.045,30 3.045,31 20,32 3.714,33 264,34 126.401,35 30.208,36 40.833,37 0.037,38 1.025,39 1.025,40 60.424,41 2.818,42 3.6,43 6.594,44 3.651,45 4.331,46 4.977,47 77.851,48 2.022,49 0.896,50 3.618,51 1.244,52 3.291,53 17.257,54 1.819,55 1.819,56 7733,57 12.205,58 3.708,59 3.17,60 3.165,61 4.561,62 1.086,63 7.617,64 3155,65 34.13,66 14.512,67 25,68 1.636,69 4.523}
{0 CHEMBL1097052,1 2.133,2 2.133,3 2.463,4 2.463,5 127.796,6 2.677,7 7.86,8 240,9 373.93,10 3.263,11 3.44,12 255.115,13 1.069,14 5.554,15 246.384,16 2.892,17 1.742,18 21.919,19 281.81,20 372.08,21 3.064,22 0.305,23 1.691,24 0.479,25 2.129,26 283.856,27 6.662,28 0.94,29 3.045,30 3.045,31 20,32 3.714,33 264,34 122.958,35 30.027,36 40.833,37 0.037,38 1.025,39 1.025,40 60.323,41 2.818,42 3.525,43 6.352,44 3.651,45 4.331,46 4.977,47 77.64,48 2.022,49 0.906,50 3.618,51 1.242,52 3.289,53 17.257,54 1.819,55 1.819,56 8037,57 12.141,58 3.711,59 3.173,60 3.167,61 4.612,62 1.072,63 7.431,64 3207,65 34.216,66 14.512,67 24,68 1.619,69 6.229}
{0 CHEMBL1097053,1 2.179,2 2.179,3 2.569,4 2.569,5 127.175,6 2.5,7 7.848,8 240,9 373.63,10 3.263,11 3.352,12 254.978,13 1,14 5.554,15 246.384,16 2.889,17 1.743,18 21.919,19 281.81,20 372.06,21 3.098,22 0.32,23 1.699,24 0.504,25 2.187,26 283.791,27 6.477,28 0.985,29 3.045,30 3.045,31 20,32 3.714,33 264,34 122.958,35 30.024,36 40.833,37 0.037,38 1,39 1,40 60.323,41 2.803,42 3.429,43 6.462,44 3.651,45 4.331,46 4.977,47 77.45,48 2,49 0.91,50 3.618,51 1.245,52 3.289,53 17.257,54 1.829,55 1.829,56 8341,57 12.137,58 3.711,59 3.175,60 3.169,61 4.407,62 1.12,63 7.132,64 3259,65 34.132,66 14.512,67 24,68 1.616,69 5.352}
{0 CHEMBL1097054,1 2.055,2 2.055,3 2.265,4 2.265,5 138.896,6 2.697,7 7.945,8 249,9 386.35,10 3.233,11 3.481,12 265.168,13 1.131,14 5.695,15 263.93,16 3.044,17 2.01,18 22.333,19 272.38,20 367.96,21 3.031,22 0.584,23 1.727,24 0.646,25 2.659,26 275.459,27 6.254,28 1.014,29 3.091,30 3.091,31 21,32 3.761,33 256,34 120.032,35 31.671,36 43,37 0.037,38 1.025,39 1.025,40 60.83,41 2.761,42 3.532,43 6.55,44 3.726,45 4.407,46 5.017,47 80.975,48 2.022,49 1.033,50 3.542,51 1.285,52 3.183,53 48.002,54 1.82,55 1.82,56 8544,57 12.359,58 3.711,59 3.17,60 3.165,61 4.615,62 1.123,63 7.198,64 3562,65 36.656,66 14.715,67 27,68 1.583,69 5.754}
{0 CHEMBL1097378,1 2.392,2 2.392,3 2.98,4 2.98,5 163.438,6 2.894,7 9.249,8 300,9 466.01,10 3.359,11 3.452,12 318.146,13 1.095,14 5.827,15 318.976,16 3.4,17 2.443,18 23.8,19 297.38,20 434.95,21 3.345,22 0.809,23 2.271,24 0.49,25 2.5,26 318.287,27 6.398,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 300,34 141.964,35 36.104,36 47.5,37 0.086,38 1,39 1,40 67.39,41 3.036,42 3.529,43 7.824,44 3.97,45 4.654,46 5.176,47 96.718,48 2,49 0.995,50 3.694,51 1.676,52 3.247,53 33.186,54 2.275,55 2.275,56 13324,57 12.424,58 4,59 3.242,60 3.228,61 4.638,62 1.5,63 7.647,64 5473,65 44.873,66 14.917,67 30,68 1.557,69 6.229}
{0 CHEMBL1097379,1 2.388,2 2.388,3 2.978,4 2.978,5 177.469,6 2.906,7 9.906,8 309,9 481.86,10 3.399,11 3.578,12 328.268,13 1.143,14 5.882,15 327.976,16 3.564,17 2.287,18 25.1,19 311.41,20 445.15,21 3.339,22 0.833,23 2.366,24 0.608,25 2.875,26 325.008,27 8.636,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 306,34 150.296,35 38.405,36 49.5,37 0.066,38 1.448,39 1.448,40 69.727,41 3.228,42 3.693,43 8.067,44 4.007,45 4.691,46 5.231,47 104.186,48 2.433,49 1.141,50 3.747,51 1.836,52 3.314,53 33.186,54 2.306,55 2.306,56 13825,57 12.551,58 4,59 3.366,60 3.344,61 4.57,62 1.957,63 8.947,64 5784,65 46.919,66 15.879,67 33,68 1.694,69 4.523}
{0 CHEMBL1097380,1 2.418,2 2.418,3 2.98,4 2.98,5 175.483,6 2.895,7 9.991,8 308,9 479.02,10 3.399,11 3.571,12 327.601,13 1.139,14 5.882,15 326.976,16 3.56,17 2.477,18 25.1,19 311.41,20 444.59,21 3.364,22 0.794,23 2.377,24 0.553,25 2.74,26 325.227,27 7.414,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 306,34 148.964,35 38.218,36 49.5,37 0.082,38 1.367,39 1.367,40 69.626,41 3.209,42 3.632,43 8.046,44 4.007,45 4.691,46 5.231,47 103.821,48 2.347,49 1.136,50 3.747,51 1.75,52 3.337,53 33.186,54 2.324,55 2.324,56 14149,57 12.504,58 4,59 3.362,60 3.346,61 4.652,62 1.827,63 8.636,64 5976,65 46.957,66 15.879,67 32,68 1.678,69 6.237}
{0 CHEMBL1097396,1 2.379,2 2.379,3 2.979,4 2.979,5 154.774,6 2.894,7 9.092,8 302,9 468.68,10 3.321,11 3.401,12 321.385,13 1.122,14 5.807,15 321.821,16 3.273,17 2.229,18 22.6,19 284.34,20 439.81,21 3.332,22 0.729,23 2,24 0.372,25 2.668,26 324.383,27 5.583,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 304,34 137.797,35 34.768,36 46,37 0.049,38 1.205,39 1.205,40 64.45,41 2.992,42 3.496,43 7.325,44 3.951,45 4.635,46 5.142,47 93.802,48 2.193,49 0.884,50 3.667,51 1.618,52 3.126,53 32.757,54 2.3,55 2.3,56 13033,57 12.402,58 4,59 2.956,60 2.99,61 4.594,62 1.744,63 6.116,64 4718,65 43.678,66 13.922,67 28,68 1.403,69 4.523}
{0 CHEMBL1097397,1 2.418,2 2.418,3 2.988,4 2.988,5 175.483,6 2.896,7 9.991,8 342,9 531.21,10 3.402,11 3.578,12 364.09,13 1.28,14 5.918,15 365.457,16 3.624,17 2.536,18 24.767,19 312.35,20 509.85,21 3.366,22 0.818,23 2.377,24 0.553,25 2.825,26 381.997,27 6.151,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 356,34 151.458,35 38.218,36 51,37 0.082,38 1.367,39 1.367,40 70.492,41 3.234,42 3.637,43 8.046,44 4.043,45 4.727,46 5.231,47 103.821,48 2.358,49 0.95,50 3.757,51 1.75,52 3.293,53 33.186,54 2.324,55 2.324,56 18572,57 12.566,58 4,59 3.089,60 3.132,61 4.773,62 1.903,63 6.768,64 5976,65 48.049,66 15.529,67 32,68 1.51,69 4.523}
{0 CHEMBL1097398,1 2.444,2 2.444,3 3.047,4 3.047,5 174.085,6 2.895,7 9.979,8 342,9 530.93,10 3.402,11 3.494,12 363.953,13 1.255,14 5.918,15 365.457,16 3.616,17 2.533,18 24.767,19 312.35,20 509.83,21 3.389,22 0.86,23 2.364,24 0.608,25 2.774,26 381.932,27 6.066,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 356,34 151.458,35 38.232,36 51,37 0.122,38 1.282,39 1.282,40 70.492,41 3.105,42 3.606,43 8.114,44 4.043,45 4.727,46 5.231,47 103.731,48 2.288,49 0.95,50 3.757,51 1.839,52 3.31,53 33.186,54 2.301,55 2.301,56 19328,57 12.564,58 4,59 3.098,60 3.145,61 4.651,62 1.774,63 6.771,64 6168,65 48.011,66 15.529,67 32,68 1.488,69 4.523}
{0 CHEMBL1097656,1 2.377,2 2.377,3 2.978,4 2.978,5 155.615,6 2.882,7 8.976,8 319,9 498.06,10 3.377,11 3.466,12 338.9,13 1.138,14 5.807,15 330.838,16 3.281,17 2.138,18 22.286,19 303.76,20 487.73,21 3.328,22 0.671,23 2,24 0.483,25 2.833,26 367.754,27 5.847,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 344,34 150.655,35 34.952,36 45.833,37 0.033,38 1.414,39 1.414,40 67.438,41 3.165,42 3.589,43 7.912,44 3.951,45 4.635,46 5.142,47 94.063,48 2.339,49 0.79,50 3.75,51 1.626,52 3.297,53 33.501,54 2.299,55 2.299,56 14525,57 12.448,58 4,59 2.951,60 2.982,61 4.512,62 1.931,63 6.246,64 4654,65 43.616,66 14.233,67 29,68 1.484,69 5.409}
{0 CHEMBL1097984,1 2.379,2 2.379,3 2.979,4 2.979,5 154.774,6 2.894,7 9.092,8 318,9 494.24,10 3.377,11 3.451,12 337.985,13 1.126,14 5.807,15 329.838,16 3.274,17 2.444,18 22.286,19 303.76,20 487.09,21 3.328,22 0.729,23 2,24 0.372,25 2.668,26 367.874,27 5.863,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 344,34 146.723,35 34.768,36 45.833,37 0.049,38 1.205,39 1.205,40 67.337,41 3.165,42 3.609,43 7.587,44 3.951,45 4.635,46 5.142,47 93.802,48 2.178,49 0.797,50 3.75,51 1.618,52 3.344,53 33.501,54 2.3,55 2.3,56 14957,57 12.402,58 4,59 2.956,60 2.987,61 4.615,62 1.744,63 6.108,64 4718,65 43.678,66 14.233,67 28,68 1.48,69 6.076}
{0 CHEMBL1098335,1 2.38,2 2.38,3 2.979,4 2.979,5 154.215,6 2.894,7 9.08,8 302,9 468.41,10 3.321,11 3.403,12 321.249,13 1.094,14 5.807,15 321.821,16 3.27,17 2.31,18 22.6,19 284.34,20 439.79,21 3.334,22 0.621,23 2,24 0.428,25 2.5,26 324.318,27 5.49,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 304,34 137.797,35 34.78,36 46,37 0.049,38 1,39 1,40 64.45,41 2.986,42 3.454,43 7.415,44 3.951,45 4.635,46 5.142,47 93.667,48 2,49 0.883,50 3.667,51 1.627,52 3.142,53 32.757,54 2.275,55 2.275,56 13249,57 12.399,58 4,59 2.965,60 3.001,61 4.432,62 1.5,63 6.257,64 4782,65 43.613,66 13.922,67 28,68 1.418,69 4.523}
{0 CHEMBL1098388,1 2.379,2 2.379,3 2.979,4 2.979,5 154.774,6 2.894,7 9.092,8 294,9 457.1,10 3.317,11 3.402,12 313.193,13 1.123,14 5.807,15 312.976,16 3.256,17 2.291,18 22.5,19 283.35,20 428.29,21 3.333,22 0.729,23 2,24 0.372,25 2.668,26 314.638,27 6.038,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 296,34 136.964,35 34.768,36 45.5,37 0.049,38 1.205,39 1.205,40 64.162,41 2.983,42 3.489,43 7.325,44 3.951,45 4.635,46 5.142,47 93.802,48 2.196,49 0.925,50 3.661,51 1.618,52 3.138,53 33.186,54 2.3,55 2.3,56 12071,57 12.402,58 4,59 3.042,60 3.043,61 4.649,62 1.744,63 6.552,64 4718,65 43.678,66 13.959,67 28,68 1.461,69 5.463}
{0 CHEMBL1098389,1 2.38,2 2.38,3 2.979,4 2.979,5 154.215,6 2.894,7 9.08,8 294,9 456.85,10 3.317,11 3.399,12 313.057,13 1.094,14 5.807,15 312.976,16 3.256,17 2.371,18 22.5,19 283.35,20 428.27,21 3.335,22 0.621,23 2,24 0.428,25 2.5,26 314.573,27 5.664,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 296,34 136.964,35 34.78,36 45.5,37 0.049,38 1,39 1,40 64.162,41 2.971,42 3.454,43 7.415,44 3.951,45 4.635,46 5.142,47 93.667,48 2,49 0.925,50 3.661,51 1.627,52 3.159,53 33.186,54 2.275,55 2.275,56 12179,57 12.399,58 4,59 3.056,60 3.066,61 4.524,62 1.5,63 6.599,64 4782,65 43.613,66 13.959,67 28,68 1.488,69 6.18}
{0 CHEMBL1098390,1 2.38,2 2.38,3 2.978,4 2.978,5 165.829,6 2.905,7 9.167,8 301,9 468.85,10 3.359,11 3.495,12 318.904,13 1.138,14 5.827,15 319.976,16 3.404,17 2.045,18 23.8,19 297.38,20 435.51,21 3.332,22 0.797,23 2.284,24 0.546,25 2.869,26 318.109,27 7.59,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 300,34 143.296,35 36.252,36 47.5,37 0.033,38 1.447,39 1.447,40 67.491,41 3.112,42 3.597,43 7.833,44 3.97,45 4.654,46 5.176,47 97.174,48 2.432,49 0.999,50 3.694,51 1.676,52 3.18,53 33.186,54 2.299,55 2.299,56 12892,57 12.474,58 4,59 3.241,60 3.216,61 4.666,62 1.948,63 7.939,64 5217,65 44.877,66 14.917,67 31,68 1.6,69 4.523}
{0 CHEMBL1098391,1 2.386,2 2.386,3 2.979,4 2.979,5 164.416,6 2.894,7 9.261,8 300,9 466.27,10 3.359,11 3.49,12 318.281,13 1.126,14 5.827,15 318.976,16 3.401,17 2.379,18 23.8,19 297.38,20 434.97,21 3.339,22 0.78,23 2.375,24 0.434,25 2.684,26 318.352,27 6.735,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 300,34 141.964,35 36.039,36 47.5,37 0.049,38 1.235,39 1.235,40 67.39,41 3.103,42 3.562,43 7.749,44 3.97,45 4.654,46 5.176,47 96.692,48 2.224,49 0.995,50 3.694,51 1.644,52 3.225,53 33.186,54 2.3,55 2.3,56 13108,57 12.427,58 4,59 3.242,60 3.223,61 4.754,62 1.763,63 7.602,64 5345,65 44.851,66 14.917,67 30,68 1.589,69 6.444}
{0 CHEMBL1098406,1 2.525,2 2.525,3 3.165,4 3.165,5 186.151,6 2.922,7 11.038,8 390,9 629.29,10 3.468,11 3.561,12 416.157,13 1.261,14 5.98,15 436.976,16 4.414,17 2.538,18 27.043,19 337.32,20 635.75,21 3.451,22 0.852,23 2.419,24 0.726,25 2.889,26 494.227,27 5.667,28 1.5,29 3.296,30 3.296,31 26,32 3.97,33 458,34 168.44,35 39.638,36 56,37 0.175,38 1.458,39 1.458,40 73.68,41 3.209,42 3.722,43 7.415,44 4.06,45 4.745,46 5.303,47 114.579,48 2.442,49 1.251,50 3.929,51 2,52 3.366,53 78.066,54 2.305,55 2.305,56 26930,57 12.79,58 4.578,59 3.049,60 3.109,61 4.524,62 1.966,63 6.726,64 6867,65 48.97,66 16.656,67 34,68 1.5,69 6.108}
{0 CHEMBL1098725,1 2.464,2 2.464,3 2.98,4 2.98,5 190.529,6 2.906,7 10.971,8 391,9 632.85,10 3.468,11 3.685,12 417.013,13 1.341,14 5.98,15 437.976,16 4.526,17 2.56,18 27.043,19 337.32,20 636.35,21 3.374,22 0.841,23 2.419,24 0.726,25 2.876,26 494.098,27 6.71,28 1.617,29 3.296,30 3.296,31 26,32 3.97,33 458,34 169.773,35 39.813,36 56,37 0.099,38 1.449,39 1.449,40 73.781,41 3.408,42 3.875,43 7.532,44 4.06,45 4.745,46 5.303,47 115.032,48 2.433,49 1.265,50 3.929,51 2,52 3.326,53 78.066,54 2.827,55 2.827,56 24122,57 12.83,58 4.153,59 3.017,60 3.068,61 4.554,62 1.962,63 7.124,64 6355,65 48.962,66 16.656,67 35,68 1.534,69 4.523}
{0 CHEMBL121053,1 2.224,2 2.224,3 2.732,4 2.732,5 106.817,6 1.648,7 7.366,8 257,9 416.87,10 3.004,11 3.227,12 275.284,13 0.501,14 5.73,15 284.148,16 3.315,17 2.585,18 18.248,19 217.17,20 435.02,21 3.259,22 -0.544,23 1.805,24 0.347,25 1,26 353.264,27 0.909,28 -0.683,29 2.833,30 2.833,31 16,32 3.497,33 318,34 132.783,35 29.851,36 37,38 -0.313,39 -0.313,40 44.438,41 0.007,42 3.466,43 5.21,44 3.555,45 4.234,46 4.977,47 94.374,48 0.709,49 0.59,50 3.496,51 1,52 2.818,54 -1.49,55 -1.49,56 6623,57 13.299,58 3.873,59 2.567,60 2.624,61 4.263,62 -0.329,63 2.37,64 1154,65 29.128,66 10.365,67 26,68 1.373,69 9.244}
{0 CHEMBL123842,1 2.637,2 2.637,3 3.081,4 3.081,5 143.376,6 2.698,7 9.087,8 259,9 400.54,10 3.23,11 3.485,12 277.798,13 0.721,14 5.824,15 274.023,16 3.412,17 2.259,18 23.267,19 278.34,20 402.34,21 3.629,22 0.399,23 2,24 0.757,25 2.627,26 315.794,27 5.847,28 0.622,29 3.091,30 3.091,31 21,32 3.761,33 286,34 132.751,35 34.215,36 45,37 0.025,38 1.188,39 1.188,40 58.9,41 3.054,42 3.516,43 6.763,44 3.818,45 4.5,46 5.118,47 96.588,48 2.186,49 1.062,50 3.568,51 1.658,52 3.113,53 5.942,54 1.362,55 1.362,56 11407,57 12.862,58 4.261,59 3.003,60 3.029,61 4.932,62 1.57,63 7.453,64 3356,65 38.205,66 14.817,67 30,68 1.463,69 5.509}
{0 CHEMBL123847,1 2.794,2 2.794,3 3.102,4 3.102,5 176.4,6 2.946,7 11.045,8 347,9 561.43,10 3.39,11 3.736,12 372.706,13 1.203,14 5.995,15 389.178,16 4.669,17 2.725,18 27.71,19 331.32,20 598.3,21 3.791,22 0.452,23 2.406,24 1.056,25 2.646,26 485.703,27 6.629,28 1.568,29 3.219,30 3.219,31 24,32 3.892,33 440,34 163.395,35 39.493,36 55,37 0.124,38 1.302,39 1.302,40 68.13,41 3.552,42 3.766,43 6.763,44 3.942,45 4.625,46 5.283,47 117.494,48 2.297,49 1.37,50 3.854,51 2,52 3.347,53 51.251,54 2.551,55 2.551,56 22804,57 13.125,58 4.522,59 3.066,60 3.116,61 4.856,62 1.608,63 8.261,64 4865,65 43.545,66 17.611,67 36,68 1.61,69 6.658}
{0 CHEMBL124078,1 2.756,2 2.756,3 3.298,4 3.298,5 210.992,6 3.081,7 11.075,8 319,9 493.41,10 3.445,11 4.035,12 339.638,13 1.38,14 6.065,15 333.178,16 4.275,17 2.361,18 27.267,19 339.42,20 479.26,21 3.753,22 0.719,23 2.601,24 1.194,25 2.781,26 366.564,27 12.006,28 1.568,29 3.332,30 3.332,31 27,32 4.007,33 336,34 166.918,35 42.759,36 54.5,37 0.049,38 1.317,39 1.317,40 74.148,41 3.446,42 3.879,43 8.813,44 4.111,45 4.796,46 5.352,47 122.033,48 2.317,49 1.485,50 3.781,51 2.198,52 3.462,53 6.371,54 2.88,55 2.88,56 17900,57 13.034,58 4.412,59 3.351,60 3.363,61 4.404,62 1.908,63 12.478,64 5976,65 51.328,66 17.497,67 40,68 2.318,69 6.658}
{0 CHEMBL124483,1 2.637,2 2.637,3 3.081,4 3.081,5 143.376,6 2.698,7 9.087,8 267,9 412.92,10 3.234,11 3.486,12 286.062,13 0.722,14 5.824,15 284.209,16 3.447,17 2.335,18 23.333,19 279.32,20 421.94,21 3.622,22 0.399,23 2,24 0.757,25 2.627,26 333.539,27 5.745,28 0.622,29 3.091,30 3.091,31 21,32 3.761,33 302,34 133.579,35 34.215,36 45.5,37 0.025,38 1.188,39 1.188,40 59.189,41 3.079,42 3.521,43 6.763,44 3.818,45 4.5,46 5.118,47 96.588,48 2.183,49 1.032,50 3.575,51 1.658,52 3.103,53 3.186,54 1.362,55 1.362,56 12277,57 12.862,58 4.261,59 2.993,60 3.018,61 4.939,62 1.57,63 7.443,64 3356,65 38.205,66 14.817,67 30,68 1.441,69 6}
{0 CHEMBL124501,1 2.637,2 2.637,3 3.081,4 3.081,5 143.376,6 2.698,7 9.087,8 251,9 388.96,10 3.226,11 3.484,12 269.606,13 0.721,14 5.824,15 265.178,16 3.389,17 2.3,18 23.167,19 277.35,20 390.82,21 3.636,22 0.399,23 2,24 0.757,25 2.627,26 306.049,27 6.491,28 0.622,29 3.091,30 3.091,31 21,32 3.761,33 278,34 131.918,35 34.215,36 44.5,37 0.025,38 1.188,39 1.188,40 58.612,41 3.027,42 3.511,43 6.763,44 3.818,45 4.5,46 5.118,47 96.588,48 2.188,49 1.124,50 3.561,51 1.658,52 3.131,53 6.371,54 1.362,55 1.362,56 10537,57 12.862,58 4.261,59 3.072,60 3.08,61 4.856,62 1.57,63 8.176,64 3356,65 38.205,66 14.855,67 30,68 1.534,69 6.745}
{0 CHEMBL1253501,1 2.396,2 2.396,3 2.631,4 2.631,5 88.098,6 1.23,7 6.417,8 182,9 285.03,10 2.927,11 3.198,12 193.88,13 0.226,14 5.455,15 195.967,16 2.495,17 1.733,18 17.167,19 199.23,20 298.06,21 3.396,22 -0.8,23 1.046,24 0.604,25 0.815,26 238.906,27 2.506,28 -0.897,29 2.773,30 2.773,31 15,32 3.434,33 216,34 101.921,35 25.357,36 32.5,38 -0.318,39 -0.318,40 41.818,41 0.035,42 3.161,43 4.306,44 3.332,45 4.007,46 4.812,47 72.149,48 0.67,49 0.599,50 3.158,51 1,52 2.95,54 -2,55 -2,56 4293,57 12.476,58 3.283,59 2.644,60 2.724,61 4.236,62 -0.329,63 3.821,64 1149,65 24.947,66 9.776,67 19,68 1.381,69 7.301}
{0 CHEMBL1253502,1 2.338,2 2.338,3 2.547,4 2.547,5 115.951,6 2.088,7 7.477,8 194,9 302.3,10 3.099,11 3.461,12 206.365,13 0.639,14 5.517,15 207.967,16 2.946,17 1.764,18 21.067,19 241.32,20 315.34,21 3.339,23 1.555,24 0.677,25 2,26 251.39,27 5.227,28 -0.094,29 2.944,30 2.944,31 18,32 3.611,33 228,34 113.921,35 28.924,36 38.5,38 0.874,39 0.874,40 50.818,41 1.78,42 3.407,43 5.623,44 3.434,45 4.111,46 4.949,47 80.407,48 1.861,49 0.95,50 3.419,51 1.024,52 3.05,54 -0.269,55 -0.269,56 6011,57 12.446,58 3.518,59 2.941,60 2.923,61 4.295,62 0.975,63 6.71,64 1983,65 29.063,66 12.685,67 24,68 2.432,69 4.208}
{0 CHEMBL126608,1 1.915,2 1.915,3 2.405,4 2.405,5 77.944,6 1.397,7 6.113,8 239,9 370.73,10 2.938,11 2.765,12 256.822,13 0.473,14 5.288,15 268.554,16 2.209,17 2.08,18 17.533,19 203.18,20 391.54,21 2.892,22 -0.708,23 1,24 0.333,25 1,26 312.831,27 1.137,28 -0.913,29 2.708,30 2.708,31 14,32 3.367,33 284,34 90.206,35 22.001,36 34.5,38 -0.548,39 -0.548,40 43.415,41 1.669,42 2.888,43 4.415,44 3.258,45 3.932,46 4.654,47 57.552,48 0.514,49 0.29,50 3.315,52 2.851,53 11.219,54 -1.71,55 -1.71,56 6466,57 11.877,58 2.802,59 2.477,60 2.575,61 4.263,62 -0.671,63 1.698,64 1171,65 23.963,66 10.909,67 16,68 0.429,69 4.638}
{0 CHEMBL1288410,1 2.128,2 2.128,3 2.75,4 2.75,5 78.452,6 2.156,7 6.14,8 238,9 364.63,10 2.916,11 2.795,12 257.176,13 0.414,14 5.384,15 262.426,16 2.174,17 1.546,18 16.867,19 200.18,20 382.65,21 3.1,22 -0.597,23 1,24 0.302,25 0.766,26 305.227,27 1.174,28 -1.248,29 2.708,30 2.708,31 14,32 3.367,33 276,34 87.776,35 22.031,36 34,38 -0.407,39 -0.407,40 43.136,41 2.177,42 3.023,43 4.368,44 3.474,45 4.151,46 4.654,47 57.757,48 0.526,49 0.299,50 3.254,52 2.779,53 4.533,54 -2,55 -2,56 6384,57 12.094,58 3.252,59 2.47,60 2.544,61 4.278,62 -0.451,63 1.438,64 1143,65 26.758,66 10.625,67 16,68 0.405,69 4}
{0 CHEMBL1288411,1 2.173,2 2.173,3 2.725,4 2.725,5 85.48,6 2.176,7 6.632,8 238,9 360.79,10 2.978,11 3.054,12 257.125,13 0.444,14 5.416,15 262.426,16 2.306,17 1.76,18 18.167,19 214.21,20 386.31,21 3.162,22 -0.423,23 1,24 0.518,25 1.04,26 309.205,27 1.518,28 -0.59,29 2.773,30 2.773,31 15,32 3.434,33 280,34 89.917,35 22.998,36 36,38 -0.222,39 -0.222,40 46.035,41 2.35,42 3.098,43 4.298,44 3.504,45 4.182,46 4.71,47 59.506,48 0.742,49 0.39,50 3.305,51 0.732,52 2.84,53 4.533,54 -1.37,55 -1.37,56 7507,57 12.025,58 3.263,59 2.553,60 2.621,61 4.324,62 -0.253,63 1.722,64 1446,65 27.856,66 11.619,67 16,68 0.499,69 4}
{0 CHEMBL1288491,1 2.106,2 2.106,3 2.665,4 2.665,5 87.088,6 2.242,7 6.538,8 238,9 361.3,10 2.978,11 3.22,12 256.677,13 0.442,14 5.416,15 262.426,16 2.315,17 1.524,18 18.167,19 214.21,20 386.35,21 3.105,22 -0.422,23 1,24 0.549,25 1.105,26 308.788,27 1.63,28 -0.628,29 2.773,30 2.773,31 15,32 3.434,33 280,34 90.917,35 23.197,36 36,38 -0.177,39 -0.177,40 46.145,41 2.179,42 3.156,43 4.403,44 3.504,45 4.182,46 4.71,47 60.079,48 0.791,49 0.441,50 3.305,51 0.496,52 2.821,53 10.824,54 -1.48,55 -1.48,56 7099,57 12.095,58 3.332,59 2.543,60 2.606,61 4.324,62 -0.211,63 2.26,64 1350,65 27.913,66 11.619,67 17,68 0.559,69 4}
{0 CHEMBL1289658,1 2.47,2 2.47,3 3.054,4 3.054,5 159.608,6 2.905,7 9.544,8 321,9 489.45,10 3.337,11 3.71,12 343.792,13 1.132,14 5.847,15 345.778,16 3.51,17 2.357,18 24.867,19 304.34,20 493.58,21 3.461,22 0.5,23 1.811,24 0.747,25 2.5,26 382.754,27 4.433,28 1.285,29 3.178,30 3.178,31 23,32 3.85,33 350,34 137.081,35 35.276,36 50,37 0.07,38 1.052,39 1.052,40 66.897,41 3.151,42 3.653,43 7.217,44 3.966,45 4.649,46 5.142,47 93.94,48 2.035,49 0.969,50 3.676,51 1.494,52 3.362,53 7.719,54 2.136,55 2.136,56 16842,57 12.491,58 3.702,59 3.17,60 3.207,61 4.649,62 1.5,63 5.018,64 4564,65 44.151,66 16.142,67 29,68 1.268,69 4}
{0 CHEMBL1289762,1 2.482,2 2.482,3 2.997,4 2.997,5 162.847,6 2.757,7 9.459,8 321,9 490.19,10 3.337,11 3.828,12 343.425,13 1.239,14 5.847,15 345.778,16 3.525,17 2.164,18 24.867,19 304.34,20 493.64,21 3.473,22 0.5,23 1.803,24 0.92,25 2.621,26 382.388,27 5.368,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 350,34 138.081,35 35.475,36 50,37 0.05,38 1.183,39 1.183,40 67.006,41 3.163,42 3.708,43 7.267,44 3.966,45 4.649,46 5.142,47 94.431,48 2.144,49 1.023,50 3.676,51 1.528,52 3.367,53 14.01,54 2.136,55 2.136,56 15906,57 12.539,58 3.702,59 3.183,60 3.218,61 4.649,62 1.638,63 5.819,64 4276,65 44.179,66 16.142,67 30,68 1.344,69 4}
{0 CHEMBL140197,1 1.838,2 1.838,3 2.264,4 2.264,5 64.91,6 0.811,7 5.361,8 172,9 269.16,10 2.753,11 2.701,12 184.358,13 -0.01,14 5.242,15 188.24,16 2.137,17 1.013,18 15.333,19 175.16,20 301.56,21 2.835,24 0.222,25 0.436,26 249.546,27 0.694,28 -1.342,29 2.565,30 2.565,31 12,32 3.219,33 224,34 82.246,35 20.348,36 29.5,38 -1,39 -1,40 35.96,41 0.007,42 3.005,43 3.754,44 3.135,45 3.807,46 4.575,47 56.082,48 -0.002,49 0.301,50 3.061,52 2.656,54 -2,55 -2,56 3771,57 12.266,58 2.796,59 2.343,60 2.413,61 4.202,62 -1.265,63 1.508,64 639,65 20.17,66 9.284,67 15,68 0.459,69 7.638}
{0 CHEMBL154542,1 2.784,2 2.784,3 3.666,4 3.666,5 264.527,6 3.39,7 13.134,8 426,9 675.24,10 3.7,11 4.154,12 454.764,13 2.023,14 6.247,15 427.483,16 4.866,17 2.792,18 31.338,19 433.35,20 662.71,21 3.784,22 1.618,23 3.162,24 1.324,25 3.113,26 509.351,27 11.907,28 1.802,29 3.497,30 3.497,31 32,32 4.174,33 470,34 236.748,35 51.33,36 62.667,37 0.166,38 1.967,39 1.967,40 91.841,41 3.799,42 4.323,43 12.754,44 4.317,45 5.004,46 5.549,47 152.492,48 2.955,49 1.57,50 4.151,51 2.965,52 3.53,53 35.987,54 4.086,55 4.086,56 32466,57 13.323,58 5.316,59 3.382,60 3.377,61 4.952,62 2.154,63 13.77,64 10776,65 60.616,66 20.554,67 51,68 3.394,69 6.05}
{0 CHEMBL1629855,1 2.902,2 2.902,3 3.716,4 3.716,5 292.689,6 3.566,7 14.878,8 490,9 781.17,10 3.683,11 4.141,12 522.957,13 2.147,14 6.369,15 529.524,16 5.678,17 2.884,18 33.01,19 423.47,20 742.24,21 3.865,22 1.656,23 3.397,24 1.434,25 3.328,26 561.572,27 11.012,28 2.481,29 3.555,30 3.555,31 34,32 4.234,33 520,34 218.16,35 53.861,36 69,37 0.251,38 2.006,39 2.006,40 91.63,41 3.707,42 4.217,43 10.307,44 4.483,45 5.17,46 5.609,47 159.045,48 2.974,49 2.073,50 4.153,51 2.719,52 3.534,53 88.621,54 4.963,55 4.963,56 39494,57 13.32,58 5.286,59 3.408,60 3.426,61 4.947,62 2.514,63 11.975,64 12071,65 68.122,66 20.966,67 55,68 2.495,69 6.529}
{0 CHEMBL1629861,1 2.845,2 2.845,3 3.563,4 3.563,5 251.499,6 3.388,7 13.053,8 455,9 724.25,10 3.591,11 3.985,12 483.847,13 1.689,14 6.249,15 493.819,16 5.192,17 2.746,18 29.11,19 381.38,20 702.33,21 3.817,22 1.467,23 3.012,24 1.222,25 3.029,26 535.367,27 8.166,28 2.023,29 3.466,30 3.466,31 31,32 4.143,33 496,34 195.827,35 47.226,36 63,37 0.144,38 1.625,39 1.625,40 84.532,41 3.487,42 4.006,43 9.156,44 4.376,45 5.063,46 5.493,47 139.201,48 2.561,49 1.673,50 4.044,51 2.705,52 3.517,53 98.017,54 4.054,55 4.054,56 34621,57 13.143,58 4.715,59 3.381,60 3.401,61 4.993,62 2.209,63 8.584,64 9530,65 62.397,66 18.095,67 48,68 2.128,69 7.284}
{0 CHEMBL1629862,1 2.851,2 2.851,3 3.597,4 3.597,5 291.28,6 3.398,7 14.17,8 500,9 796.82,10 3.696,11 4.213,12 530.875,13 1.786,14 6.317,15 544.274,16 5.755,17 2.799,18 33.176,19 425.44,20 770.78,21 3.818,22 2.218,23 3.247,24 1.58,25 3.387,26 585.212,27 10.911,28 2.208,29 3.555,30 3.555,31 34,32 4.234,33 544,34 216.149,35 52.22,36 70,37 0.198,38 1.908,39 1.908,40 94.132,41 3.762,42 4.239,43 10.165,44 4.437,45 5.124,46 5.58,47 151.896,48 2.876,49 1.848,50 4.136,51 2.912,52 3.524,53 114.26,54 4.35,55 4.35,56 41586,57 13.237,58 5.03,59 3.389,60 3.411,61 5.135,62 2.568,63 10.865,64 11967,65 66.911,66 20.928,67 54,68 2.367,69 7.42}
{0 CHEMBL1629863,1 2.626,2 2.626,3 3.482,4 3.482,5 214.834,6 3.344,7 11.096,8 383,9 588.92,10 3.511,11 3.86,12 405.539,13 1.528,14 6.12,15 386.682,16 3.956,17 2.578,18 24.352,19 347.82,20 553.65,21 3.608,22 1.115,23 2.893,24 0.868,25 2.994,26 408.949,27 7.55,28 1.887,29 3.367,30 3.367,31 28,32 4.043,33 382,34 174.109,35 42.361,36 52.833,37 0.078,38 1.556,39 1.556,40 78.189,41 3.435,42 3.893,43 9.418,44 4.297,45 4.984,46 5.361,47 118.555,48 2.519,49 1.083,50 3.885,51 2.361,52 3.542,53 53.451,54 3.144,55 3.144,56 21652,57 12.885,58 4.644,59 3.367,60 3.378,61 4.978,62 2.171,63 7.78,64 7109,65 57.182,66 15.707,67 42,68 2.119,69 8}
{0 CHEMBL1629864,1 2.714,2 2.714,3 3.603,4 3.603,5 240.41,6 3.495,7 12.237,8 430,9 665.85,10 3.625,11 4.028,12 456.578,13 1.875,14 6.212,15 426.897,16 4.291,17 2.665,18 26.738,19 396.29,20 639.11,21 3.677,22 1.182,23 2.934,24 1.024,25 3.165,26 479.791,27 8.495,28 2.104,29 3.434,30 3.434,31 30,32 4.111,33 446,34 206.747,35 46.619,36 57.167,37 0.148,38 1.74,39 1.74,40 86.146,41 3.685,42 4.059,43 10.957,44 4.376,45 5.063,46 5.451,47 132.021,48 2.703,49 1.159,50 4.037,51 2.529,52 3.57,53 50.661,54 4.045,55 4.045,56 27710,57 13.043,58 5.02,59 3.381,60 3.391,61 5.136,62 2.395,63 8.639,64 8523,65 61.102,66 17.873,67 47,68 2.399,69 8.155}
{0 CHEMBL1629865,1 2.868,2 2.868,3 3.625,4 3.625,5 264.173,6 3.53,7 13.687,8 467,9 743.2,10 3.623,11 4.029,12 497.106,13 1.844,14 6.291,15 506.172,16 5.346,17 2.792,18 30.41,19 395.41,20 715.74,21 3.838,22 1.467,23 3.013,24 1.278,25 3.158,26 544.082,27 8.997,28 2.037,29 3.497,30 3.497,31 32,32 4.174,33 504,34 202.994,35 49.485,36 65,37 0.198,38 1.724,39 1.724,40 86.849,41 3.563,42 4.05,43 9.483,44 4.413,45 5.1,46 5.533,47 145.56,48 2.687,49 1.77,50 4.082,51 2.706,52 3.524,53 91.726,54 4.475,55 4.475,56 36404,57 13.196,58 5.015,59 3.387,60 3.407,61 5.192,62 2.375,63 9.455,64 10409,65 64.232,66 19.049,67 50,68 2.258,69 7.602}
{0 CHEMBL1629866,1 2.872,2 2.872,3 3.654,4 3.654,5 304.438,6 3.562,7 14.804,8 512,9 815.77,10 3.724,11 4.249,12 544.135,13 1.931,14 6.356,15 556.626,16 5.91,17 2.859,18 34.476,19 439.47,20 784.19,21 3.838,22 2.218,23 3.452,24 1.636,25 3.396,26 593.927,27 11.72,28 2.375,29 3.584,30 3.584,31 35,32 4.263,33 552,34 223.316,35 54.416,36 72,37 0.235,38 2.081,39 2.081,40 96.449,41 3.82,42 4.274,43 10.492,44 4.472,45 5.159,46 5.617,47 158.255,48 3.035,49 1.944,50 4.171,51 2.913,52 3.531,53 107.969,54 4.933,55 4.933,56 43605,57 13.286,58 5.073,59 3.395,60 3.417,61 5.311,62 2.573,63 11.738,64 12990,65 68.747,66 21.89,67 56,68 2.497,69 7.824}
{0 CHEMBL1630804,1 2.616,2 2.616,3 3.573,4 3.573,5 195.92,6 3.006,7 10.291,8 380,9 593.65,10 3.426,11 3.721,12 402.586,13 1.524,14 6.083,15 409.72,16 3.938,17 2.77,18 24.214,19 312.32,20 555.05,21 3.583,22 0.971,23 2.701,24 0.914,25 2.886,26 414.592,27 6.148,28 1.602,29 3.296,30 3.296,31 26,32 3.97,33 384,34 177.319,35 42.357,36 51.5,37 0.091,38 1.445,39 1.445,40 70.7,41 3.185,42 3.773,43 8.516,44 4.159,45 4.844,46 5.342,47 122.159,48 2.428,49 1.072,50 3.786,51 2.055,52 3.247,53 87.36,54 2.781,55 2.781,56 18421,57 13.226,58 4.804,59 3.032,60 3.076,61 4.837,62 2.022,63 6.381,64 5569,65 50.127,66 14.218,67 39,68 2.028,69 5.18}
{0 CHEMBL1630805,1 2.616,2 2.616,3 3.573,4 3.573,5 195.92,6 3.006,7 10.291,8 380,9 593.65,10 3.47,11 3.759,12 402.586,13 1.524,14 6.083,15 393.249,16 3.871,17 2.771,18 23.786,19 328.77,20 555.05,21 3.57,22 0.971,23 2.701,24 0.914,25 2.886,26 414.592,27 6.381,28 1.602,29 3.296,30 3.296,31 26,32 3.97,33 384,34 184.167,35 42.357,36 50.333,37 0.091,38 1.445,39 1.445,40 73.01,41 3.358,42 3.809,43 9.215,44 4.159,45 4.844,46 5.342,47 122.159,48 2.428,49 0.98,50 3.846,51 2.055,52 3.394,53 81.739,54 2.781,55 2.781,56 18421,57 13.226,58 4.804,59 3.046,60 3.082,61 4.837,62 2.022,63 6.484,64 5569,65 50.127,66 14.547,67 39,68 2.163,69 6.049}
{0 CHEMBL1630806,1 2.616,2 2.616,3 3.573,4 3.573,5 195.92,6 3.006,7 10.291,8 356,9 556.57,10 3.416,11 3.712,12 377.795,13 1.524,14 6.083,15 376.386,16 3.852,17 2.67,18 24,19 308.36,20 496.25,21 3.6,22 0.971,23 2.701,24 0.914,25 2.886,26 361.356,27 6.131,28 1.602,29 3.296,30 3.296,31 26,32 3.97,33 336,34 174.409,35 42.357,36 50,37 0.091,38 1.445,39 1.445,40 69.834,41 3.128,42 3.77,43 8.926,44 4.159,45 4.844,46 5.342,47 122.159,48 2.428,49 1.111,50 3.766,51 2.055,52 3.256,53 81.424,54 2.781,55 2.781,56 14815,57 13.226,58 4.804,59 3.113,60 3.13,61 4.856,62 2.022,63 7.197,64 5569,65 50.127,66 14.279,67 39,68 2.139,69 5.824}
{0 CHEMBL1630807,1 2.647,2 2.647,3 3.588,4 3.588,5 205.817,6 3.015,7 10.46,8 382,9 597.89,10 3.469,11 3.755,12 406.614,13 1.524,14 6.099,15 406.932,16 3.98,17 2.764,18 25.467,19 324.36,20 544.05,21 3.612,22 1.079,23 2.769,24 0.976,25 2.886,26 398.801,27 6.827,28 1.602,29 3.332,30 3.332,31 27,32 4.007,33 372,34 182.067,35 43.907,36 53,37 0.099,38 1.445,39 1.445,40 74.178,41 3.256,42 3.827,43 9.334,44 4.174,45 4.86,46 5.371,47 125.093,48 2.428,49 1.098,50 3.805,51 2.49,52 3.259,53 94.482,54 2.785,55 2.785,56 18510,57 13.237,58 4.891,59 3.06,60 3.1,61 4.834,62 2.026,63 7.732,64 6336,65 51.323,66 15.181,67 41,68 2.101,69 6.049}
{0 CHEMBL1631859,1 2.872,2 2.872,3 3.652,4 3.652,5 279.26,6 3.551,7 14.232,8 478,9 762,10 3.653,11 4.094,12 509.565,13 1.92,14 6.331,15 517.172,16 5.524,17 2.833,18 31.71,19 409.44,20 728.81,21 3.838,22 1.656,23 3.397,24 1.379,25 3.328,26 552.752,27 9.325,28 2.375,29 3.526,30 3.526,31 33,32 4.205,33 512,34 210.994,35 51.796,36 67,37 0.214,38 2.006,39 2.006,40 89.313,41 3.641,42 4.168,43 10.068,44 4.449,45 5.136,46 5.572,47 152.712,48 2.974,49 1.973,50 4.117,51 2.713,52 3.53,53 94.911,54 4.915,55 4.915,56 37655,57 13.272,58 5.07,59 3.404,60 3.423,61 5.204,62 2.514,63 11.135,64 11136,65 66.284,66 20.006,67 53,68 2.384,69 7.387}
{0 CHEMBL1669377,1 2.387,2 2.387,3 2.733,4 2.733,5 164.8,6 2.815,7 8.93,8 292,9 460.31,10 3.386,11 3.726,12 309.588,13 1.256,14 5.794,15 298.121,16 3.308,17 2.274,18 23.419,19 306.82,20 443.88,21 3.312,22 0.424,23 2.265,24 0.743,25 2.344,26 332.791,27 8.297,28 1.178,29 3.178,30 3.178,31 23,32 3.85,33 312,34 153.466,35 35.474,36 45.333,37 0.021,38 1.099,39 1.099,40 67.119,41 2.803,42 3.942,43 8.027,44 3.882,45 4.564,46 5.165,47 98.411,48 2.077,49 1.068,50 3.757,51 1.704,52 3.334,53 15.753,54 2.136,55 2.136,56 10616,57 12.637,58 4.204,59 3.217,60 3.204,61 4.603,62 1.258,63 8.945,64 4047,65 40.788,66 14.73,67 35,68 2.105,69 5.45}
{0 CHEMBL1669378,1 2.44,2 2.44,3 2.74,4 2.74,5 175.569,6 2.879,7 9.551,8 295,9 463.02,10 3.415,11 3.747,12 312.175,13 1.181,14 5.85,15 299.758,16 3.531,17 2.341,18 24.719,19 320.85,20 443.04,21 3.382,22 0.773,23 2.351,24 0.854,25 2.558,26 333.018,27 8.867,28 1.237,29 3.219,30 3.219,31 24,32 3.892,33 310,34 159.359,35 37.698,36 47.333,37 0.049,38 1.244,39 1.244,40 69.059,41 3.135,42 3.98,43 8.437,44 3.922,45 4.605,46 5.22,47 104.536,48 2.206,49 1.195,50 3.809,51 1.812,52 3.347,53 15.753,54 2.275,55 2.275,56 11827,57 12.678,58 4.523,59 3.235,60 3.223,61 4.758,62 1.535,63 9.492,64 4616,65 42.336,66 15.691,67 37,68 2.428,69 5.3}
{0 CHEMBL1669379,1 2.387,2 2.387,3 2.733,4 2.733,5 164.8,6 2.815,7 8.93,8 284,9 446.27,10 3.378,11 3.72,12 300.617,13 1.181,14 5.794,15 287.612,16 3.309,17 2.236,18 23.352,19 305.84,20 420.12,21 3.314,22 0.424,23 2.265,24 0.743,25 2.344,26 312.295,27 8.265,28 1.178,29 3.178,30 3.178,31 23,32 3.85,33 292,34 152.085,35 35.474,36 44.833,37 0.021,38 1.099,39 1.099,40 66.619,41 2.807,42 3.941,43 8.027,44 3.882,45 4.564,46 5.165,47 98.411,48 2.078,49 1.105,50 3.752,51 1.704,52 3.337,53 15.753,54 2.136,55 2.136,56 9760,57 12.637,58 4.204,59 3.223,60 3.21,61 4.656,62 1.258,63 8.909,64 4047,65 40.788,66 14.73,67 35,68 2.204,69 5}
{0 CHEMBL1669380,1 2.387,2 2.387,3 2.948,4 2.948,5 164.8,6 2.869,7 8.93,8 308,9 480.37,10 3.346,11 3.691,12 326.858,13 1.127,14 5.896,15 309.781,16 3.286,17 2.23,18 21.452,19 298.79,20 450.63,21 3.327,22 0.695,23 2.265,24 0.743,25 2.585,26 334.778,27 6.828,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 312,34 149.199,35 35.474,36 44.333,37 0.021,38 1.099,39 1.099,40 66.044,41 2.719,42 3.905,43 8.027,44 4.043,45 4.727,46 5.165,47 98.411,48 2.079,49 0.932,50 3.714,51 1.704,52 3.336,53 34.338,54 2.136,55 2.136,56 11313,57 12.755,58 4.204,59 3.219,60 3.207,61 4.705,62 1.588,63 7.428,64 4047,65 44.965,66 13.996,67 35,68 1.895,69 5.9}
{0 CHEMBL1669381,1 2.387,2 2.387,3 2.948,4 2.948,5 164.8,6 2.869,7 8.93,8 308,9 480.81,10 3.346,11 3.689,12 327.153,13 1.127,14 5.896,15 309.781,16 3.288,17 2.23,18 21.452,19 298.79,20 450.67,21 3.326,22 0.695,23 2.265,24 0.743,25 2.585,26 334.91,27 6.635,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 312,34 149.366,35 35.474,36 44.333,37 0.021,38 1.099,39 1.099,40 66.044,41 2.74,42 3.907,43 8.027,44 4.043,45 4.727,46 5.165,47 98.411,48 2.081,49 0.943,50 3.714,51 1.704,52 3.337,53 34.338,54 2.136,55 2.136,56 11201,57 12.755,58 4.204,59 3.226,60 3.213,61 4.927,62 1.588,63 7.09,64 4047,65 44.965,66 13.996,67 35,68 1.896,69 6.2}
{0 CHEMBL1669382,1 2.387,2 2.387,3 2.948,4 2.948,5 164.8,6 2.869,7 8.93,8 320,9 500.17,10 3.354,11 3.694,12 341.442,13 1.127,14 5.896,15 323.893,16 3.28,17 2.23,18 21.552,19 299.78,20 472.15,21 3.323,22 0.695,23 2.265,24 0.743,25 2.585,26 352.415,27 6.004,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 328,34 150.864,35 35.474,36 44.833,37 0.021,38 1.099,39 1.099,40 66.544,41 2.756,42 3.91,43 8.027,44 4.043,45 4.727,46 5.165,47 98.411,48 2.079,49 0.935,50 3.719,51 1.704,52 3.335,53 42.956,54 2.136,55 2.136,56 11959,57 12.755,58 4.204,59 3.211,60 3.201,61 4.708,62 1.588,63 6.542,64 4047,65 44.965,66 13.934,67 35,68 1.83,69 5.4}
{0 CHEMBL1669383,1 2.392,2 2.392,3 2.946,4 2.946,5 155.005,6 2.849,7 8.576,8 307,9 479.02,10 3.32,11 3.645,12 326.365,13 0.901,14 5.861,15 311.486,16 3.147,17 2.231,18 20.852,19 287.77,20 448.19,21 3.329,22 0.387,23 2.176,24 0.625,25 2.367,26 333.219,27 5.84,28 1.193,29 3.135,30 3.135,31 22,32 3.807,33 310,34 146.947,35 33.844,36 42.833,37 0.02,38 1.098,39 1.098,40 63.544,41 2.597,42 3.886,43 7.777,44 4.003,45 4.687,46 5.13,47 95.699,48 2.076,49 0.879,50 3.693,51 1.69,52 3.332,53 41.953,54 1.979,55 1.979,56 10231,57 12.751,58 4.209,59 3.204,60 3.194,61 4.83,62 1.273,63 6.462,64 3513,65 42.908,66 13.252,67 32,68 1.711,69 5.8}
{0 CHEMBL1669384,1 2.486,2 2.486,3 3.168,4 3.168,5 179.788,6 2.92,7 9.719,8 336,9 524.33,10 3.441,11 3.664,12 358.132,13 1.182,14 5.934,15 343.235,16 3.566,17 2.317,18 24.219,19 328.82,20 503.31,21 3.454,22 0.928,23 2.502,24 0.563,25 2.847,26 376.894,27 7.121,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 352,34 160.02,35 37.799,36 49.333,37 0.066,38 1.406,39 1.406,40 72.851,41 3.312,42 3.959,43 8.479,44 4.078,45 4.762,46 5.231,47 102.903,48 2.37,49 1.001,50 3.793,51 1.759,52 3.372,53 47.395,54 2.136,55 2.136,56 16063,57 12.717,58 4.308,59 3.244,60 3.236,61 5.053,62 1.84,63 7.469,64 5689,65 47.462,66 15.879,67 36,68 1.829,69 5.6}
{0 CHEMBL1669385,1 2.486,2 2.486,3 3.168,4 3.168,5 179.788,6 2.92,7 9.719,8 324,9 503.61,10 3.433,11 3.666,12 344.709,13 1.182,14 5.934,15 327.471,16 3.56,17 2.284,18 24.152,19 327.84,20 477.71,21 3.456,22 0.928,23 2.502,24 0.563,25 2.847,26 356.077,27 7.45,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 332,34 158.197,35 37.799,36 48.833,37 0.066,38 1.406,39 1.406,40 72.397,41 3.308,42 3.942,43 8.479,44 4.078,45 4.762,46 5.231,47 102.903,48 2.372,49 1.103,50 3.785,51 1.759,52 3.385,53 33.909,54 2.136,55 2.136,56 15441,57 12.717,58 4.308,59 3.259,60 3.251,61 5.095,62 1.84,63 7.877,64 5689,65 47.462,66 15.879,67 36,68 1.924,69 5.5}
{0 CHEMBL1669386,1 2.51,2 2.51,3 3.175,4 3.175,5 187.596,6 2.938,7 10.072,8 340,9 528.37,10 3.478,11 3.693,12 361.169,13 1.345,14 5.952,15 347.235,16 3.709,17 2.33,18 25.519,19 342.85,20 508.91,21 3.487,22 1.028,23 2.503,24 0.674,25 2.853,26 380.697,27 7.948,28 1.5,29 3.296,30 3.296,31 26,32 3.97,33 356,34 163.688,35 39.193,36 51.333,37 0.099,38 1.425,39 1.425,40 75.851,41 3.362,42 3.985,43 8.721,44 4.094,45 4.779,46 5.263,47 105.051,48 2.387,49 1.079,50 3.823,51 1.932,52 3.397,53 47.395,54 2.292,55 2.292,56 18210,57 12.72,58 4.312,59 3.268,60 3.265,61 5.13,62 1.845,63 8.429,64 6658,65 48.552,66 16.844,67 37,68 1.922,69 6.1}
{0 CHEMBL1669387,1 2.519,2 2.519,3 3.176,4 3.176,5 195.51,6 2.949,7 10.426,8 344,9 534.05,10 3.513,11 3.727,12 365.328,13 1.483,14 5.97,15 351.235,16 3.851,17 2.333,18 26.819,19 356.88,20 514.67,21 3.502,22 1.204,23 2.638,24 0.563,25 2.856,26 384.859,27 8.875,28 1.5,29 3.332,30 3.332,31 27,32 4.007,33 360,34 167.688,35 40.413,36 53.333,37 0.095,38 1.441,39 1.441,40 78.851,41 3.319,42 4.005,43 8.971,44 4.111,45 4.796,46 5.293,47 107.933,48 2.401,49 1.161,50 3.852,51 2.178,52 3.435,53 47.395,54 2.73,55 2.73,56 20529,57 12.723,58 4.313,59 3.359,60 3.35,61 5.203,62 1.849,63 9.105,64 7731,65 49.983,66 17.811,67 38,68 2.051,69 6.2}
{0 CHEMBL1669388,1 2.641,2 2.641,3 3.256,4 3.256,5 196.482,6 2.994,7 10.45,8 346,9 542.91,10 3.475,11 3.795,12 370.557,13 1.199,14 6.02,15 350.246,16 3.711,17 2.338,18 25.452,19 341.87,20 502.04,21 3.582,22 0.938,23 2.503,24 0.979,25 2.806,26 371.625,27 8.399,28 1.5,29 3.296,30 3.296,31 26,32 3.97,33 346,34 171.03,35 41.118,36 50.833,37 0.099,38 1.382,39 1.382,40 74.569,41 3.266,42 4.031,43 9.136,44 4.143,45 4.828,46 5.303,47 114.656,48 2.342,49 1.255,50 3.85,51 2,52 3.376,53 28.415,54 2.674,55 2.674,56 15370,57 12.898,58 4.587,59 3.269,60 3.263,61 4.863,62 1.798,63 9.36,64 5950,65 50.025,66 16.844,67 41,68 2.061,69 5.3}
{0 CHEMBL1669389,1 2.717,2 2.717,3 3.279,4 3.279,5 234.945,6 3.118,7 11.604,8 388,9 609.45,10 3.614,11 3.951,12 411.175,13 1.711,14 6.099,15 396.586,16 4.278,17 2.354,18 28.919,19 383.91,20 571.04,21 3.671,22 1.617,23 2.927,24 0.993,25 2.891,26 421.536,27 9.746,28 1.731,29 3.434,30 3.434,31 30,32 4.111,33 396,34 196.465,35 46.301,36 57.833,37 0.116,38 1.562,39 1.562,40 85.371,41 3.451,42 4.137,43 10.51,44 4.22,45 4.905,46 5.434,47 129.399,48 2.52,49 1.404,50 3.987,51 2.503,52 3.551,53 28.415,54 3.315,55 3.315,56 23904,57 12.935,58 4.656,59 3.43,60 3.424,61 5.028,62 1.927,63 10.651,64 9284,65 55.776,66 18.33,67 46,68 2.586,69 6.1}
{0 CHEMBL1669390,1 2.476,2 2.476,3 3.18,4 3.18,5 185.313,6 2.945,7 9.72,8 346,9 542.87,10 3.441,11 3.76,12 369.645,13 1.182,14 5.973,15 352.678,16 3.564,17 2.335,18 24.219,19 328.82,20 512.06,21 3.402,22 0.929,23 2.502,24 0.917,25 2.761,26 381.249,27 7.588,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 356,34 164.356,35 39.071,36 49.333,37 0.074,38 1.272,39 1.272,40 72.705,41 3.192,42 3.986,43 8.846,44 4.111,45 4.796,46 5.252,47 107.653,48 2.243,49 1.057,50 3.808,51 2,52 3.347,53 36.29,54 2.275,55 2.275,56 15287,57 12.847,58 4.55,59 3.23,60 3.221,61 4.984,62 1.761,63 8.259,64 5281,65 47.982,66 15.879,67 39,68 1.983,69 6.1}
{0 CHEMBL1669391,1 2.613,2 2.613,3 3.315,4 3.315,5 198.19,6 2.945,7 10.25,8 381,9 601.1,10 3.488,11 3.838,12 407.599,13 1.465,14 6.027,15 397.012,16 3.829,17 2.335,18 25.733,19 346.81,20 584.13,21 3.552,22 0.957,23 2.503,24 0.917,25 2.848,26 443.452,27 7.661,28 1.76,29 3.296,30 3.296,31 26,32 3.97,33 412,34 176.637,35 41.225,36 52.833,37 0.091,38 1.473,39 1.473,40 76.035,41 3.313,42 4.066,43 8.846,44 4.159,45 4.844,46 5.303,47 114.493,48 2.367,49 1.175,50 3.872,51 2.189,52 3.35,53 45.411,54 3.293,55 3.293,56 19042,57 12.948,58 4.577,59 3.23,60 3.222,61 4.984,62 1.978,63 8.377,64 5802,65 49.864,66 16.781,67 42,68 1.996,69 6.4}
{0 CHEMBL1669392,1 2.628,2 2.628,3 3.466,4 3.466,5 243.017,6 3.389,7 12.052,8 424,9 660.49,10 3.621,11 3.963,12 449.119,13 1.576,14 6.19,15 433.406,16 4.399,17 2.365,18 28.319,19 390.89,20 606.79,21 3.559,22 1.618,23 2.982,24 0.868,25 2.962,26 444.701,27 8.785,28 1.971,29 3.466,30 3.466,31 31,32 4.143,33 416,34 197.685,35 47.243,36 59.333,37 0.14,38 1.574,39 1.574,40 87.512,41 3.451,42 4.124,43 10.66,44 4.35,45 5.037,46 5.46,47 131.018,48 2.55,49 1.214,50 3.993,51 2.737,52 3.6,53 41.534,54 3.344,55 3.344,56 28472,57 12.995,58 5.045,59 3.467,60 3.458,61 5.139,62 2.117,63 8.896,64 10573,65 61.012,66 18.578,67 46,68 2.369,69 6.3}
{0 CHEMBL1669393,1 2.541,2 2.541,3 3.444,4 3.444,5 259.733,6 3.39,7 12.747,8 424,9 659.33,10 3.682,11 3.991,12 449.252,13 1.732,14 6.218,15 431.587,16 4.683,17 2.589,18 30.919,19 418.95,20 614.71,21 3.526,22 2.226,23 3.247,24 1.035,25 2.965,26 452.252,27 10.17,28 2.057,29 3.526,30 3.526,31 33,32 4.205,33 424,34 205.021,35 49.896,36 63.333,37 0.103,38 1.608,39 1.608,40 93.603,41 3.606,42 4.161,43 11.218,44 4.376,45 5.063,46 5.509,47 136.164,48 2.583,49 1.417,50 4.036,51 2.744,52 3.602,53 39.476,54 3.375,55 3.375,56 34390,57 12.998,58 5.085,59 3.471,60 3.463,61 5.284,62 2.12,63 11.049,64 13527,65 63.595,66 20.492,67 48,68 2.572,69 6.2}
{0 CHEMBL1669394,1 2.57,2 2.57,3 3.447,4 3.447,5 251.318,6 3.39,7 12.394,8 432,9 673.81,10 3.658,11 3.975,12 459.854,13 1.681,14 6.204,15 441.7,16 4.531,17 2.515,18 29.719,19 405.91,20 630.51,21 3.528,22 1.864,23 3.137,24 1.035,25 2.964,26 465.689,27 8.976,28 2.035,29 3.497,30 3.497,31 32,32 4.174,33 436,34 202.852,35 48.656,36 61.833,37 0.124,38 1.587,39 1.587,40 91.103,41 3.507,42 4.139,43 10.976,44 4.363,45 5.05,46 5.485,47 133.909,48 2.555,49 1.326,50 4.016,51 2.743,52 3.601,53 57.571,54 3.358,55 3.358,56 33081,57 12.995,58 5.085,59 3.468,60 3.46,61 5.395,62 2.118,63 9.503,64 11986,65 62.455,66 19.471,67 47,68 2.395,69 6.5}
{0 CHEMBL1669395,1 2.476,2 2.476,3 3.18,4 3.18,5 185.313,6 2.945,7 9.72,8 332,9 519.75,10 3.433,11 3.756,12 354.051,13 1.182,14 5.973,15 336.214,16 3.569,17 2.335,18 24.119,19 327.83,20 489.62,21 3.419,22 0.929,23 2.502,24 0.917,25 2.761,26 363.971,27 8.246,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 340,34 162.525,35 39.071,36 48.833,37 0.074,38 1.272,39 1.272,40 72.25,41 3.182,42 3.983,43 8.846,44 4.111,45 4.796,46 5.252,47 107.653,48 2.246,49 1.064,50 3.799,51 2,52 3.348,53 32.486,54 2.275,55 2.275,56 14505,57 12.847,58 4.55,59 3.238,60 3.227,61 4.833,62 1.761,63 9.136,64 5281,65 47.982,66 15.942,67 39,68 2.069,69 6.5}
{0 CHEMBL1669396,1 2.628,2 2.628,3 3.466,4 3.466,5 243.017,6 3.389,7 12.052,8 410,9 637.31,10 3.614,11 3.955,12 433.521,13 1.576,14 6.19,15 416.941,16 4.401,17 2.365,18 28.219,19 389.9,20 584.35,21 3.567,22 1.618,23 2.982,24 0.868,25 2.962,26 427.423,27 10.006,28 1.971,29 3.466,30 3.466,31 31,32 4.143,33 400,34 195.853,35 47.243,36 58.833,37 0.14,38 1.574,39 1.574,40 87.057,41 3.444,42 4.117,43 10.66,44 4.35,45 5.037,46 5.46,47 131.018,48 2.552,49 1.217,50 3.985,51 2.737,52 3.601,53 37.73,54 3.344,55 3.344,56 27528,57 12.995,58 5.045,59 3.475,60 3.466,61 4.887,62 2.117,63 9.862,64 10573,65 61.012,66 18.64,67 46,68 2.469,69 5.7}
{0 CHEMBL1669397,1 2.628,2 2.628,3 3.466,4 3.466,5 243.017,6 3.389,7 12.052,8 422,9 655.43,10 3.621,11 3.956,12 446.866,13 1.576,14 6.19,15 431.054,16 4.391,17 2.365,18 28.319,19 390.89,20 605.71,21 3.564,22 1.618,23 2.982,24 0.868,25 2.962,26 444.531,27 9.806,28 1.971,29 3.466,30 3.466,31 31,32 4.143,33 416,34 197.186,35 47.243,36 59.333,37 0.14,38 1.574,39 1.574,40 87.557,41 3.444,42 4.119,43 10.66,44 4.35,45 5.037,46 5.46,47 131.018,48 2.546,49 1.194,50 3.989,51 2.737,52 3.601,53 55.824,54 3.344,55 3.344,56 29248,57 12.995,58 5.045,59 3.473,60 3.464,61 5.028,62 2.117,63 9.727,64 10573,65 61.012,66 18.578,67 46,68 2.407,69 6.8}
{0 CHEMBL1669398,1 2.57,2 2.57,3 3.447,4 3.447,5 251.318,6 3.39,7 12.394,8 418,9 650.67,10 3.652,11 3.967,12 444.258,13 1.681,14 6.204,15 425.235,16 4.534,17 2.515,18 29.619,19 404.92,20 608.07,21 3.532,22 1.864,23 3.137,24 1.035,25 2.964,26 448.41,27 10.021,28 2.035,29 3.497,30 3.497,31 32,32 4.174,33 420,34 201.02,35 48.656,36 61.333,37 0.124,38 1.587,39 1.587,40 90.649,41 3.501,42 4.135,43 10.976,44 4.363,45 5.05,46 5.485,47 133.909,48 2.558,49 1.336,50 4.009,51 2.743,52 3.602,53 53.767,54 3.358,55 3.358,56 32063,57 12.995,58 5.085,59 3.476,60 3.467,61 5.269,62 2.118,63 10.491,64 11986,65 62.455,66 19.533,67 47,68 2.495,69 5.9}
{0 CHEMBL1669399,1 2.634,2 2.634,3 3.613,4 3.613,5 262.594,6 3.405,7 13.015,8 454,9 708.87,10 3.724,11 4.02,12 482.883,13 2.225,14 6.248,15 454.45,16 4.699,17 2.671,18 30.705,19 439.36,20 680.5,21 3.58,22 1.928,23 3.234,24 1.09,25 3.384,26 510.592,27 10.121,28 2.063,29 3.526,30 3.526,31 33,32 4.205,33 476,34 217.945,35 50.808,36 63.667,37 0.144,38 2.001,39 2.001,40 96.142,41 3.661,42 4.187,43 11.675,44 4.401,45 5.088,46 5.525,47 140.069,48 2.943,49 1.321,50 4.115,51 2.743,52 3.604,53 44.719,54 4.459,55 4.459,56 40406,57 13.056,58 5.085,59 3.476,60 3.468,61 5.269,62 2.636,63 10.476,64 13215,65 64.192,66 20.766,67 49,68 2.676,69 6.4}
{0 CHEMBL1669400,1 2.83,2 2.83,3 3.742,4 3.742,5 297.771,6 3.539,7 14.973,8 526,9 843.45,10 3.789,11 4.082,12 560.778,13 2.226,14 6.363,15 561.587,16 5.89,17 2.717,18 35.462,19 472.92,20 829.06,21 3.818,22 2.331,23 3.328,24 1.389,25 3.39,26 636.861,27 10.389,28 2.091,29 3.611,30 3.611,31 36,32 4.29,33 590,34 240.453,35 55.783,36 73.833,37 0.178,38 2.002,39 2.002,40 102.484,41 3.682,42 4.297,43 11.387,44 4.472,45 5.159,46 5.638,47 161.002,48 2.948,49 1.736,50 4.239,51 2.924,52 3.603,53 92.356,54 4.71,55 4.71,56 61997,57 13.277,58 5.25,59 3.476,60 3.468,61 5.284,62 2.641,63 11.59,64 17310,65 69.566,66 23.193,67 55,68 2.639,69 6.6}
{0 CHEMBL1669401,1 2.314,2 2.314,3 2.636,4 2.636,5 151.294,6 2.538,7 8.38,8 257,9 402.75,10 3.284,11 3.386,12 271.936,13 1.256,14 5.724,15 270.259,16 3.122,17 2.246,18 22.333,19 272.38,20 371.87,21 3.265,22 0.369,23 2.06,24 0.514,25 2.342,26 270.705,27 7.249,28 1.167,29 3.135,30 3.135,31 22,32 3.807,33 256,34 133.756,35 33.478,36 43,37 0.021,38 1.09,39 1.09,40 61.479,41 2.758,42 3.563,43 7.385,44 3.818,45 4.5,46 5.106,47 91.804,48 2.029,49 1.102,50 3.614,51 1.555,52 3.199,53 12.252,54 2.136,55 2.136,56 8507,57 12.489,58 3.67,59 3.205,60 3.195,61 4.603,62 1.241,63 8.178,64 3730,65 39.011,66 13.5,67 32,68 1.863,69 5}
{0 CHEMBL1669402,1 2.314,2 2.314,3 2.906,4 2.906,5 151.294,6 2.669,7 8.38,8 273,9 423.26,10 3.239,11 3.334,12 289.501,13 1.124,14 5.833,15 281.918,16 3.102,17 1.788,18 20.367,19 264.35,20 378.66,21 3.278,22 0.576,23 2.06,24 0.514,25 2.5,26 272.824,27 6.122,28 1.375,29 3.135,30 3.135,31 22,32 3.807,33 256,34 129.655,35 33.478,36 42,37 0.021,38 1.09,39 1.09,40 60.404,41 2.676,42 3.525,43 7.385,44 3.989,45 4.673,46 5.106,47 91.804,48 2.076,49 0.977,50 3.563,51 1.555,52 3.202,53 30.837,54 2.136,55 2.136,56 9022,57 12.624,58 3.67,59 3.217,60 3.206,61 4.795,62 1.5,63 6.69,64 3730,65 43.188,66 12.77,67 32,68 1.661,69 5.1}
{0 CHEMBL1669403,1 2.413,2 2.413,3 3.009,4 3.009,5 176.42,6 3.149,7 9.121,8 316,9 489.6,10 3.318,11 3.645,12 336.353,13 1.171,14 5.998,15 326.327,16 3.437,17 2.334,18 21.867,19 289.36,20 445.93,21 3.374,22 0.874,23 2.401,24 0.833,25 2.739,26 326.657,27 6.245,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 304,34 143.321,35 37.056,36 46.5,37 0.021,38 1.113,39 1.113,40 66.45,41 2.86,42 3.752,43 8.059,44 4.094,45 4.779,46 5.198,47 101.481,48 2.097,49 1.066,50 3.644,51 1.704,52 3.258,53 65.082,54 2.136,55 2.136,56 12128,57 12.846,58 4.264,59 3.255,60 3.248,61 4.973,62 1.636,63 6.767,64 4456,65 47.458,66 14.195,67 37,68 1.813,69 4.3}
{0 CHEMBL1672288,1 2.101,2 2.101,3 2.974,4 2.974,5 109.303,6 2.862,7 7.314,8 306,9 471.64,10 3.192,11 3.04,12 329.951,13 0.612,14 5.82,15 317.292,16 2.638,17 2.443,18 16.395,19 246.25,20 485.39,21 3.073,22 0.108,23 1.216,24 0.208,25 2.71,26 378.76,27 1.464,28 0.85,29 2.944,30 2.944,31 18,32 3.611,33 348,34 119.299,35 27.093,36 38,38 0.541,39 0.541,40 56.049,41 3.025,42 3.151,43 5.46,44 3.907,45 4.59,46 4.89,47 71.214,48 1.431,49 0.564,50 3.565,51 1,52 3.123,53 71.133,54 0.637,55 0.637,56 11531,57 12.582,58 3.285,59 2.956,60 2.972,61 4.297,62 0.957,63 1.441,64 2381,65 37.519,66 11.396,67 20,68 0.828,69 5}
{0 CHEMBL1672539,1 2.622,2 2.622,3 3.609,4 3.609,5 249.033,6 3.39,7 12.27,8 445,9 696.17,10 3.672,11 4.124,12 472.014,13 1.754,14 6.229,15 444.247,16 4.335,17 2.339,18 28.671,19 412.35,20 640.45,21 3.583,22 1.625,23 3.047,24 0.973,25 3.247,26 470.686,27 9.159,28 1.952,29 3.466,30 3.466,31 31,32 4.143,33 440,34 215.441,35 48.749,36 59.167,37 0.136,38 1.891,39 1.891,40 89.99,41 3.863,42 4.181,43 11.132,44 4.434,45 5.121,46 5.476,47 136.275,48 2.811,49 1.33,50 4.075,51 2.397,52 3.589,53 55.849,54 3.706,55 3.706,56 27796,57 13.189,58 5.014,59 3.444,60 3.429,61 5.267,62 2.519,63 8.78,64 9822,65 63.304,66 19.037,67 46,68 2.537,69 5}
{0 CHEMBL1688377,1 2.696,2 2.696,3 2.836,4 2.836,5 204.218,6 3,7 10.788,8 292,9 462.17,10 3.558,11 3.692,12 309.862,13 1.854,14 5.948,15 292.135,16 3.95,17 2.202,18 25.833,19 331.53,20 412.07,21 3.657,22 1,23 3,24 0.646,25 3,26 296.578,27 10.849,28 1.356,29 3.332,30 3.332,31 27,32 4.007,33 280,34 196.025,35 42.422,36 48.5,37 0.064,38 1.795,39 1.795,40 74.025,41 3.293,42 3.861,43 10.323,44 3.937,45 4.62,46 5.389,47 127.885,48 2.696,49 1.765,50 4.006,51 2.306,52 3.26,53 12.672,54 2.583,55 2.583,56 12190,57 12.832,58 5.061,59 3.202,60 3.201,61 3.959,62 2,63 11.306,64 6308,65 45.807,66 14.685,67 38,68 5.212,69 4.523}
{0 CHEMBL1774108,1 2.854,2 2.854,3 3.289,4 3.289,5 230.231,6 3.155,7 12.558,8 402,9 648.57,10 3.588,11 3.677,12 428.575,13 1.446,14 6.161,15 440.563,16 4.842,17 2.241,18 30.143,19 374.45,20 619.11,21 3.836,22 1.305,23 2.982,24 1.025,25 3.049,26 468.315,27 8.582,28 1.964,29 3.434,30 3.434,31 30,32 4.111,33 436,34 195.412,35 46.578,36 60.5,37 0.119,38 1.674,39 1.674,40 81.836,41 3.516,42 3.886,43 9.247,44 4.287,45 4.973,46 5.468,47 137.671,48 2.605,49 1.845,50 4.047,51 2.377,52 3.393,53 67.038,54 3.767,55 3.767,56 31452,57 13.125,58 4.785,59 3.309,60 3.316,61 4.679,62 2.167,63 9.935,64 9971,65 58.019,66 18.157,67 43,68 2.719,69 7.367}
{0 CHEMBL1774231,1 3.071,2 3.071,3 3.43,4 3.43,5 273.01,6 3.215,7 13.827,8 447,9 723.35,10 3.693,11 4.075,12 479.275,13 1.797,14 6.258,15 490.109,16 5.352,17 2.532,18 34.21,19 418.51,20 689.78,21 4.025,22 1.678,23 3.081,24 1.421,25 3.083,26 521.27,27 13.138,28 2.066,29 3.526,30 3.526,31 33,32 4.205,33 486,34 219.569,35 52.424,36 67.5,37 0.189,38 1.677,39 1.677,40 91.107,41 3.787,42 4.13,43 10.35,44 4.366,45 5.053,46 5.572,47 154.158,48 2.609,49 2.147,50 4.147,51 2.796,52 3.404,53 83.281,54 4.619,55 4.619,56 37687,57 13.256,58 5.17,59 3.318,60 3.325,61 5.254,62 2.212,63 12.996,64 12090,65 62.696,66 20.991,67 51,68 3.136,69 7.119}
{0 CHEMBL1774233,1 3.062,2 3.062,3 3.422,4 3.422,5 260.085,6 3.209,7 13.636,8 445,9 719.34,10 3.66,11 4.024,12 475.324,13 1.789,14 6.244,15 492.897,16 5.452,17 2.54,18 32.957,19 406.47,20 700.8,21 4.019,22 1.407,23 3.059,24 1.136,25 3.078,26 537.087,27 10.87,28 2.017,29 3.497,30 3.497,31 32,32 4.174,33 498,34 215.071,35 50.992,36 66,37 0.172,38 1.676,39 1.676,40 87.63,41 3.761,42 4.088,43 9.639,44 4.353,45 5.04,46 5.549,47 151.187,48 2.607,49 2.22,50 4.133,51 2.641,52 3.402,53 76.159,54 4.608,55 4.608,56 37578,57 13.244,58 5.147,59 3.318,60 3.325,61 5.197,62 2.203,63 11.796,64 11257,65 61.52,66 20.006,67 49,68 2.951,69 8.523}
{0 CHEMBL1774235,1 3.073,2 3.073,3 3.217,4 3.217,5 268.967,6 3.372,7 14.204,8 477,9 773.7,10 3.701,11 4.035,12 511.143,13 1.791,14 6.258,15 532.169,16 5.64,17 2.637,18 34.424,19 422.47,20 751.72,21 3.882,22 1.492,23 3.187,24 1.205,25 3.171,26 575.75,27 11.343,28 2.148,29 3.526,30 3.526,31 33,32 4.205,33 534,34 218.979,35 51.934,36 69,37 0.226,38 1.89,39 1.89,40 91.231,41 3.72,42 4.125,43 10.047,44 4.366,45 5.053,46 5.572,47 152.18,48 2.818,49 2.095,50 4.184,51 2.739,52 3.454,53 89.216,54 4.94,55 4.94,56 43969,57 13.191,58 5.22,59 3.315,60 3.321,61 5.272,62 2.437,63 12.281,64 12558,65 62.503,66 20.928,67 48,68 2.931,69 7.509}
{0 CHEMBL1783985,1 2.191,2 2.191,3 2.207,4 2.207,5 121.732,6 2.109,7 7.467,8 152,9 237.96,10 3.133,11 3.246,12 160.537,13 0.727,14 5.468,15 158.453,16 2.813,17 1.589,18 20.567,19 235.41,20 218.52,21 3.151,23 1.766,24 0.528,25 2,26 159.482,27 8.389,28 0.199,29 2.996,30 2.996,31 19,32 3.664,33 150,34 114.49,35 29.055,36 35.5,38 1,39 1,40 50.9,41 2.09,42 3.399,43 6.528,44 3.401,45 4.078,46 5.043,47 80.47,48 1.997,49 1.272,50 3.46,51 1.289,52 3.069,54 0.417,55 0.417,56 3390,57 12.335,58 3.732,59 2.951,60 2.972,61 3.975,62 1,63 9.046,64 2383,65 28.251,66 11.711,67 25,68 2.934,69 4.523}
{0 CHEMBL178823,1 2.877,2 2.877,3 3.668,4 3.668,5 293.842,6 3.394,7 13.934,8 463,9 725.41,10 3.777,11 4.226,12 492.941,13 1.96,14 6.329,15 464.656,16 5.124,17 2.657,18 32.638,19 455.42,20 676.64,21 3.853,22 2.006,23 3.285,24 1.317,25 3.226,26 504.115,27 13.504,28 2.152,29 3.584,30 3.584,31 35,32 4.263,33 468,34 253.785,35 54.687,36 65.667,37 0.166,38 1.967,39 1.967,40 98.658,41 3.851,42 4.358,43 13.878,44 4.434,45 5.121,46 5.631,47 164.542,48 2.956,49 1.788,50 4.207,51 3,52 3.646,53 41.797,54 4.557,55 4.557,56 38296,57 13.379,58 5.324,59 3.46,60 3.472,61 5.004,62 2.52,63 15.084,64 14346,65 67.41,66 20.816,67 53,68 3.878,69 5.936}
{0 CHEMBL179171,1 2.703,2 2.703,3 3.44,4 3.44,5 275.59,6 3.39,7 13.612,8 451,9 707.8,10 3.818,11 4.155,12 481.325,13 2.331,14 6.259,15 437.986,16 4.936,17 2.823,18 32.171,19 472.46,20 691.42,21 3.679,22 1.858,23 3.247,24 0.941,25 3.342,26 523.107,27 11.142,28 2.086,29 3.555,30 3.555,31 34,32 4.234,33 488,34 251.799,35 52.997,36 65.167,37 0.172,38 2.011,39 2.011,40 102.491,41 3.933,42 4.348,43 13.322,44 4.401,45 5.088,46 5.565,47 148.267,48 2.971,49 1.548,50 4.216,51 3.047,52 3.706,53 55.632,54 4.286,55 4.286,56 40291,57 13.102,58 5.287,59 3.562,60 3.549,61 5.134,62 2.573,63 13.331,64 14071,65 65.65,66 22.353,67 50,68 3.618,69 6.076}
{0 CHEMBL179839,1 2.708,2 2.708,3 3.44,4 3.44,5 307.603,6 3.41,7 14.412,8 469,9 735.74,10 3.885,11 4.261,12 498.52,13 2.477,14 6.309,15 455.986,16 5.373,17 2.826,18 34.171,19 498.5,20 713.5,21 3.688,22 2.003,23 3.262,24 1.021,25 3.345,26 536.591,27 13.173,28 2.111,29 3.638,30 3.638,31 37,32 4.317,33 502,34 269.799,35 56.554,36 69.167,37 0.152,38 2.011,39 2.011,40 109.462,41 4.104,42 4.401,43 14.471,44 4.449,45 5.136,46 5.645,47 160.312,48 2.971,49 1.666,50 4.285,51 3.098,52 3.788,53 55.632,54 5.113,55 5.113,56 46491,57 13.133,58 5.288,59 3.734,60 3.718,61 5.237,62 2.599,63 14.336,64 17681,65 70.06,66 22.924,67 52,68 4.215,69 6.783}
{0 CHEMBL179876,1 2.712,2 2.712,3 3.654,4 3.654,5 325.343,6 3.411,7 15.089,8 482,9 759.26,10 3.909,11 4.342,12 513.829,13 2.489,14 6.375,15 468.986,16 5.56,17 2.888,18 35.471,19 512.53,20 727.62,21 3.692,22 2.003,23 3.434,24 1.212,25 3.345,26 545.817,27 15.961,28 2.153,29 3.664,30 3.664,31 38,32 4.344,33 510,34 282.131,35 58.956,36 71.167,37 0.194,38 2.012,39 2.012,40 111.598,41 4.126,42 4.465,43 15.215,44 4.483,45 5.17,46 5.694,47 171.821,48 2.972,49 1.918,50 4.326,51 3.162,52 3.803,53 55.632,54 5.652,55 5.652,56 48122,57 13.362,58 5.332,59 3.738,60 3.724,61 5.263,62 2.601,63 16.697,64 18648,65 71.987,66 23.877,67 57,68 4.509,69 6.25}
{0 CHEMBL179939,1 2.861,2 2.861,3 3.409,4 3.409,5 276.534,6 3.394,7 13.257,8 474,9 742.81,10 3.761,11 4.132,12 504.304,13 1.914,14 6.26,15 481.111,16 4.941,17 2.628,18 31.505,19 443.36,20 705.64,21 3.811,22 2.006,23 3.233,24 1.126,25 3.226,26 528.609,27 9.397,28 2.108,29 3.555,30 3.555,31 34,32 4.234,33 492,34 246.088,35 52.421,36 64.667,37 0.146,38 1.807,39 1.807,40 97.43,41 3.839,42 4.303,43 13.133,44 4.398,45 5.085,46 5.58,47 153.035,48 2.799,49 1.418,50 4.172,51 3,52 3.639,53 54.855,54 4.546,55 4.546,56 38901,57 13.154,58 5.264,59 3.368,60 3.423,61 5.004,62 2.519,63 11.192,64 13549,65 65.483,66 19.836,67 48,68 3.255,69 6.914}
{0 CHEMBL180186,1 2.877,2 2.877,3 3.668,4 3.668,5 293.842,6 3.394,7 13.934,8 487,9 766.33,10 3.788,11 4.224,12 519.613,13 1.978,14 6.329,15 494.111,16 5.129,17 2.735,18 32.805,19 457.39,20 719.76,21 3.852,22 2.006,23 3.285,24 1.317,25 3.226,26 537.835,27 12.056,28 2.152,29 3.584,30 3.584,31 35,32 4.263,33 500,34 258.42,35 54.687,36 66.667,37 0.166,38 1.967,39 1.967,40 99.566,41 3.867,42 4.373,43 13.878,44 4.434,45 5.121,46 5.631,47 164.542,48 2.955,49 1.658,50 4.218,51 3,52 3.639,53 54.855,54 4.557,55 4.557,56 40348,57 13.379,58 5.324,59 3.393,60 3.428,61 5.034,62 2.52,63 13.466,64 14346,65 67.41,66 20.78,67 53,68 3.548,69 6.652}
{0 CHEMBL180455,1 2.84,2 2.84,3 3.666,4 3.666,5 296.847,6 3.449,7 14.496,8 466,9 734.58,10 3.785,11 4.261,12 497.432,13 2.491,14 6.332,15 470.343,16 5.31,17 2.913,18 34.738,19 474.41,20 724.43,21 3.845,22 1.856,23 3.414,24 1.462,25 3.387,26 556.412,27 13.377,28 2.154,29 3.584,30 3.584,31 35,32 4.263,33 514,34 253.413,35 56.049,36 69.167,37 0.199,38 2.036,39 2.036,40 100.613,41 3.884,42 4.416,43 13.46,44 4.394,45 5.081,46 5.631,47 164.225,48 2.992,49 1.709,50 4.227,51 3,52 3.535,53 35.987,54 5.234,55 5.234,56 43132,57 13.373,58 5.322,59 3.388,60 3.403,61 5.105,62 2.63,63 14.775,64 14539,65 66,66 23.13,67 55,68 3.541,69 6.355}
{0 CHEMBL180488,1 2.876,2 2.876,3 3.578,4 3.578,5 235.645,6 3.389,7 12.436,8 455,9 715.37,10 3.655,11 4.005,12 488.139,13 1.895,14 6.229,15 462.111,16 4.372,17 2.625,18 28.205,19 403.29,20 681.3,21 3.85,22 1.542,23 3.013,24 1.126,25 3.222,26 513.875,27 7.804,28 1.728,29 3.434,30 3.434,31 30,32 4.111,33 476,34 226.42,35 47.038,36 58.667,37 0.153,38 1.784,39 1.784,40 86.935,41 3.534,42 4.174,43 11.869,44 4.347,45 5.034,46 5.485,47 141.814,48 2.77,49 1.233,50 4.087,51 2.837,52 3.637,53 54.855,54 4.163,55 4.163,56 31526,57 13.271,58 5.296,59 3.35,60 3.409,61 4.74,62 2.518,63 7.716,64 9556,65 59.79,66 18.268,67 45,68 2.598,69 6.107}
{0 CHEMBL180871,1 2.69,2 2.69,3 3.44,4 3.44,5 273.374,6 3.35,7 13.252,8 400,9 622.04,10 3.74,11 3.983,12 426.01,13 2.041,14 6.236,15 401.261,16 4.838,17 2.769,18 32.6,19 431.64,20 569.92,21 3.675,22 1.888,23 3.195,24 0.966,25 3.281,26 413.264,27 14.649,28 2.086,29 3.555,30 3.555,31 34,32 4.234,33 390,34 217.017,35 52.385,36 64.5,37 0.156,38 2.005,39 2.005,40 96.904,41 3.803,42 4.107,43 12.186,44 4.388,45 5.075,46 5.549,47 143.833,48 2.999,49 1.762,50 4.089,51 3.045,52 3.556,53 55.002,54 3.898,55 3.898,56 32591,57 13.068,58 5.284,59 3.564,60 3.553,61 5.236,62 2.442,63 15.119,64 14199,65 64.906,66 21.803,67 49,68 3.591,69 6.536}
{0 CHEMBL181089,1 2.522,2 2.522,3 3.232,4 3.232,5 190.221,6 2.961,7 10.822,8 333,9 515.18,10 3.632,11 4.034,12 354.282,13 1.647,14 5.92,15 340.309,16 3.938,17 2.12,18 28.833,19 421.36,20 521.59,21 3.467,22 1.13,23 2.497,24 0.722,25 2.735,26 399.937,27 10.795,28 1.672,29 3.332,30 3.332,31 27,32 4.007,33 372,34 193.621,35 40.326,36 55.75,37 0.116,38 1.475,39 1.475,40 86.259,41 3.625,42 4.108,43 9.352,44 4.06,45 4.745,46 5.273,47 103.368,48 2.445,49 1.183,50 3.999,51 2.054,52 3.547,53 38.727,54 3.089,55 3.089,56 23856,57 12.633,58 3.952,59 3.498,60 3.483,61 4.633,62 1.748,63 10.563,64 8751,65 48.662,66 20.788,67 36,68 1.831,69 5.824}
{0 CHEMBL181364,1 2.69,2 2.69,3 3.44,4 3.44,5 273.374,6 3.35,7 13.252,8 448,9 702.26,10 3.818,11 4.171,12 477.185,13 2.1,14 6.236,15 434.986,16 4.916,17 2.821,18 32.171,19 472.46,20 688,21 3.65,22 1.888,23 3.195,24 0.966,25 3.281,26 520.424,27 12.23,28 2.086,29 3.555,30 3.555,31 34,32 4.234,33 486,34 248.799,35 52.385,36 65.167,37 0.156,38 2.005,39 2.005,40 103.255,41 3.994,42 4.327,43 13.224,44 4.388,45 5.075,46 5.549,47 143.833,48 2.969,49 1.453,50 4.204,51 3.045,52 3.691,53 55.632,54 3.898,55 3.898,56 40511,57 13.068,58 5.284,59 3.541,60 3.527,61 5.296,62 2.442,63 12.6,64 14199,65 64.906,66 22.353,67 49,68 3.661,69 6.73}
{0 CHEMBL181648,1 2.529,2 2.529,3 3.314,4 3.314,5 248.331,6 3.201,7 12.727,8 434,9 665.92,10 3.684,11 3.868,12 461.376,13 1.773,14 6.143,15 463.87,16 4.703,17 2.522,18 34.767,19 424.55,20 630.45,21 3.524,22 2.118,23 3,24 0.903,25 2.841,26 466.105,27 11.78,28 1.811,29 3.526,30 3.526,31 33,32 4.205,33 436,34 191.957,35 48.988,36 68,37 0.127,38 1.708,39 1.708,40 95.459,41 3.491,42 4.024,43 10.45,44 4.307,45 4.994,46 5.476,47 128.077,48 2.692,49 1.461,50 3.978,51 2.639,52 3.527,53 60.912,54 3.288,55 3.288,56 44820,57 12.91,58 4.463,59 3.424,60 3.41,61 5.052,62 1.884,63 11.441,64 15820,65 61.034,66 22.921,67 44,68 2.064,69 5.48}
{0 CHEMBL181869,1 2.899,2 2.899,3 3.667,4 3.667,5 296.543,6 3.394,7 13.946,8 487,9 766.57,10 3.788,11 4.263,12 519.748,13 1.978,14 6.329,15 494.111,16 5.133,17 2.704,18 32.805,19 457.39,20 719.78,21 3.876,22 2.001,23 3.245,24 1.212,25 3.172,26 537.899,27 12.211,28 2.152,29 3.584,30 3.584,31 35,32 4.263,33 500,34 258.42,35 54.674,36 66.667,37 0.19,38 1.967,39 1.967,40 99.566,41 3.947,42 4.384,43 13.81,44 4.434,45 5.121,46 5.631,47 164.624,48 2.955,49 1.659,50 4.218,51 3,52 3.634,53 54.855,54 4.427,55 4.427,56 38572,57 13.38,58 5.321,59 3.387,60 3.416,61 5.185,62 2.426,63 13.438,64 13794,65 67.442,66 20.78,67 53,68 3.557,69 6.431}
{0 CHEMBL181921,1 2.591,2 2.591,3 3.232,4 3.232,5 213.841,6 3.053,7 11.845,8 403,9 630.54,10 3.708,11 4.094,12 429.633,13 1.98,14 6.032,15 428.976,16 4.46,17 2.533,18 31.862,19 457.34,20 665.65,21 3.554,22 1.294,23 2.619,24 0.833,25 2.867,26 524.094,27 10.896,28 1.767,29 3.401,30 3.401,31 29,32 4.078,33 484,34 218.052,35 44.475,36 62.75,37 0.165,38 1.646,39 1.646,40 92.919,41 3.726,42 4.215,43 9.352,44 4.159,45 4.844,46 5.371,47 116.849,48 2.615,49 1.357,50 4.103,51 2.255,52 3.548,53 56.969,54 3.182,55 3.182,56 36698,57 12.863,58 4.616,59 3.498,60 3.484,61 4.859,62 2.03,63 10.657,64 10525,65 52.375,66 22.638,67 42,68 1.856,69 6.253}
{0 CHEMBL181953,1 2.522,2 2.522,3 3.232,4 3.232,5 190.221,6 2.961,7 10.822,8 323,9 497.64,10 3.485,11 3.614,12 343.99,13 1.636,14 5.92,15 343.041,16 3.92,17 2.101,18 29.767,19 357.49,20 484.95,21 3.435,22 1.13,23 2.497,24 0.722,25 2.735,26 363.504,27 10.085,28 1.672,29 3.332,30 3.332,31 27,32 4.007,33 340,34 151.961,35 40.326,36 56.5,37 0.116,38 1.475,39 1.475,40 78.342,41 3.298,42 3.787,43 8.355,44 4.06,45 4.745,46 5.273,47 103.368,48 2.437,49 1.253,50 3.782,51 2.054,52 3.477,53 42.662,54 3.089,55 3.089,56 22304,57 12.633,58 3.952,59 3.496,60 3.482,61 4.93,62 1.748,63 9.726,64 8751,65 48.662,66 20.249,67 36,68 1.563,69 5.485}
{0 CHEMBL182138,1 2.544,2 2.544,3 3.478,4 3.478,5 237.667,6 3.118,7 11.966,8 413,9 647.85,10 3.668,11 4.115,12 440.084,13 1.899,14 6.125,15 420.111,16 4.438,17 2.619,18 30.005,19 409.35,20 626.2,21 3.495,22 1.618,23 3,24 1.022,25 2.78,26 474.021,27 11.493,28 1.671,29 3.434,30 3.434,31 30,32 4.111,33 440,34 224.755,35 46.772,36 58.667,37 0.138,38 1.607,39 1.607,40 87.768,41 3.778,42 4.249,43 11.887,44 4.201,45 4.887,46 5.468,47 138.526,48 2.575,49 1.418,50 4.093,51 2.781,52 3.531,53 48.484,54 3.2,55 3.2,56 26486,57 13.202,58 5.28,59 3.379,60 3.379,61 4.946,62 1.825,63 12.318,64 9209,65 54.915,66 19.012,67 44,68 3.163,69 5.301}
{0 CHEMBL182166,1 2.522,2 2.522,3 3.232,4 3.232,5 190.221,6 2.961,7 10.822,8 323,9 497.64,10 3.564,11 3.67,12 343.99,13 1.716,14 5.92,15 327.643,16 3.927,17 2.524,18 29.267,19 373.56,20 484.95,21 3.411,22 1.13,23 2.497,24 0.722,25 2.735,26 363.504,27 10.61,28 1.672,29 3.332,30 3.332,31 27,32 4.007,33 340,34 165.341,35 40.326,36 55.5,37 0.116,38 1.475,39 1.475,40 81.975,41 3.44,42 3.856,43 8.99,44 4.06,45 4.745,46 5.273,47 103.368,48 2.426,49 1.355,50 3.878,51 2.054,52 3.535,53 31.662,54 3.089,55 3.089,56 22304,57 12.633,58 3.952,59 3.517,60 3.49,61 5.119,62 1.748,63 10.761,64 8751,65 48.662,66 20.634,67 36,68 2.196,69 5.815}
{0 CHEMBL182316,1 2.591,2 2.591,3 3.232,4 3.232,5 202.015,6 2.967,7 11.34,8 344,9 532.37,10 3.523,11 3.661,12 366.256,13 1.699,14 5.978,15 370.909,16 4.171,17 2.292,18 31.181,19 374.49,20 534.56,21 3.587,22 1.222,23 2.543,24 0.778,25 2.855,26 408.394,27 10.684,28 1.744,29 3.367,30 3.367,31 28,32 4.043,33 380,34 162.313,35 42.507,36 59.5,37 0.149,38 1.494,39 1.494,40 81.218,41 3.376,42 3.858,43 8.355,44 4.111,45 4.796,46 5.323,47 110.049,48 2.449,49 1.4,50 3.839,51 2.119,52 3.479,53 47.979,54 3.091,55 3.091,56 26595,57 12.754,58 4.235,59 3.498,60 3.484,61 4.861,62 1.993,63 10.404,64 9592,65 50.465,66 21.238,67 39,68 1.65,69 5.702}
{0 CHEMBL182371,1 2.529,2 2.529,3 3.314,4 3.314,5 240.182,6 3.201,7 12.374,8 430,9 660.16,10 3.654,11 3.841,12 457.214,13 1.745,14 6.128,15 459.87,16 4.561,17 2.522,18 33.467,19 410.52,20 624.69,21 3.524,22 2.118,23 3,24 0.903,25 2.839,26 461.944,27 11.202,28 1.756,29 3.497,30 3.497,31 32,32 4.174,33 432,34 187.957,35 47.768,36 66,37 0.111,38 1.647,39 1.647,40 92.459,41 3.452,42 3.999,43 10.2,44 4.294,45 4.98,46 5.451,47 125.639,48 2.627,49 1.382,50 3.953,51 2.596,52 3.492,53 60.912,54 3.285,55 3.285,56 40701,57 12.907,58 4.463,59 3.424,60 3.41,61 4.968,62 1.882,63 10.734,64 14053,65 59.815,66 21.944,67 43,68 1.961,69 6.458}
{0 CHEMBL182511,1 2.591,2 2.591,3 3.232,4 3.232,5 213.841,6 3.053,7 11.845,8 379,9 590.34,10 3.566,11 3.702,12 404.044,13 1.837,14 6.032,15 415.242,16 4.449,17 2.525,18 32.695,19 392.48,20 606.61,21 3.587,22 1.294,23 2.619,24 0.833,25 2.867,26 470.514,27 10.725,28 1.767,29 3.401,30 3.401,31 29,32 4.078,33 436,34 174.726,35 44.475,36 63,37 0.165,38 1.646,39 1.646,40 84.548,41 3.434,42 3.931,43 8.355,44 4.159,45 4.844,46 5.371,47 116.849,48 2.618,49 1.459,50 3.902,51 2.255,52 3.482,53 57.1,54 3.182,55 3.182,56 32822,57 12.863,58 4.616,59 3.498,60 3.485,61 4.898,62 2.03,63 10.431,64 10525,65 52.375,66 22.162,67 42,68 1.66,69 6.416}
{0 CHEMBL182668,1 2.522,2 2.522,3 3.232,4 3.232,5 190.221,6 2.961,7 10.822,8 345,9 533.78,10 3.638,11 4.036,12 367.925,13 1.647,14 5.92,15 354.422,16 3.929,17 2.12,18 28.933,19 422.35,20 542.99,21 3.456,22 1.13,23 2.497,24 0.722,25 2.735,26 417.177,27 10.263,28 1.672,29 3.332,30 3.332,31 27,32 4.007,33 388,34 195.175,35 40.326,36 56.25,37 0.116,38 1.475,39 1.475,40 86.759,41 3.629,42 4.108,43 9.352,44 4.06,45 4.745,46 5.273,47 103.368,48 2.416,49 1.148,50 4.002,51 2.054,52 3.546,53 56.822,54 3.089,55 3.089,56 25352,57 12.633,58 3.952,59 3.492,60 3.478,61 4.814,62 1.748,63 10.108,64 8751,65 48.662,66 20.724,67 36,68 1.764,69 6.24}
{0 CHEMBL182715,1 2.594,2 2.594,3 3.408,4 3.408,5 238.334,6 3.254,7 12.542,8 395,9 609.18,10 3.667,11 3.875,12 421.338,13 1.757,14 6.15,15 395.977,16 4.468,17 2.736,18 30.767,19 407.57,20 573.25,21 3.581,22 1.355,23 2.828,24 0.847,25 3.047,26 423.732,27 11.429,28 2.027,29 3.466,30 3.466,31 31,32 4.143,33 396,34 196.681,35 46.883,36 61.5,37 0.169,38 1.752,39 1.752,40 90.259,41 3.669,42 4.03,43 10.645,44 4.311,45 4.997,46 5.442,47 125.483,48 2.716,49 1.464,50 4.024,51 2.698,52 3.557,53 46.996,54 3.091,55 3.091,56 29843,57 12.891,58 4.843,59 3.571,60 3.558,61 5.12,62 2.164,63 11.529,64 11369,65 59.469,66 21.259,67 43,68 2.5,69 6.051}
{0 CHEMBL182822,1 2.727,2 2.727,3 3.411,4 3.411,5 248.491,6 3.43,7 13.665,8 403,9 622.92,10 3.696,11 3.874,12 432.637,13 1.758,14 6.226,15 403.977,16 4.64,17 2.987,18 32.067,19 421.6,20 584.97,21 3.661,22 1.454,23 3.078,24 1.014,25 3.156,26 433.328,27 12.087,28 2.023,29 3.497,30 3.497,31 32,32 4.174,33 404,34 204.681,35 48.444,36 63.5,37 0.186,38 1.803,39 1.803,40 92.002,41 3.581,42 4.033,43 10.829,44 4.35,45 5.037,46 5.501,47 136.162,48 2.76,49 1.708,50 4.077,51 2.659,52 3.626,53 46.996,54 3.428,55 3.428,56 33122,57 13.049,58 4.977,59 3.646,60 3.634,61 4.815,62 2.347,63 11.47,64 12974,65 61.665,66 22.236,67 44,68 2.593,69 6.238}
{0 CHEMBL182946,1 2.817,2 2.817,3 3.403,4 3.403,5 245.449,6 3.385,7 12.457,8 456,9 714.87,10 3.685,11 4.011,12 487.109,13 1.901,14 6.207,15 463.111,16 4.504,17 2.577,18 29.505,19 417.32,20 683.56,21 3.756,22 1.864,23 3.062,24 1.046,25 3.222,26 515.124,27 7.458,28 1.883,29 3.466,30 3.466,31 31,32 4.143,33 478,34 228.088,35 48.947,36 60.667,37 0.166,38 1.786,39 1.786,40 90.459,41 3.609,42 4.245,43 11.984,44 4.347,45 5.034,46 5.493,47 140.99,48 2.772,49 1.295,50 4.095,51 2.795,52 3.638,53 54.855,54 4.273,55 4.273,56 33331,57 13.124,58 5.264,59 3.354,60 3.415,61 4.882,62 2.514,63 10.131,64 10527,65 61.073,66 19.223,67 46,68 2.657,69 6.71}
{0 CHEMBL1830698,1 2.426,2 2.426,3 3.408,4 3.408,5 148.099,6 2.84,7 8.433,8 326,9 506.44,10 3.367,11 3.419,12 343.862,13 1,14 5.855,15 325.448,16 3.016,17 1.92,18 18.867,19 269.36,20 438.54,21 3.361,22 0.5,23 2.188,24 0.303,25 2.596,26 308.529,27 3.865,28 1.5,29 3.135,30 3.135,31 22,32 3.807,33 292,34 158.567,35 33.231,36 40.5,37 0.005,38 1.167,39 1.167,40 62.701,41 2.76,42 3.602,43 8.153,44 4.06,45 4.745,46 5.13,47 95.577,48 2.107,49 0.887,50 3.781,51 1.555,52 3.117,53 52.921,54 2.136,55 2.136,56 9836,57 12.698,58 3.768,59 3.093,60 3.084,61 4.774,62 1.636,63 4.374,64 3664,65 44.939,66 11.117,67 27,68 2.266,69 5}
{0 CHEMBL1830707,1 2.454,2 2.454,3 3.414,4 3.414,5 159.143,6 2.842,7 8.787,8 329,9 510.9,10 3.406,11 3.521,12 347.582,13 1,14 5.875,15 328.377,16 3.158,17 1.935,18 20.167,19 283.39,20 443.88,21 3.394,22 0.546,23 2.363,24 0.306,25 2.637,26 312.887,27 4.335,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 296,34 162.567,35 34.51,36 42.5,37 0.005,38 1.227,39 1.227,40 65.701,41 2.899,42 3.77,43 8.394,44 4.078,45 4.762,46 5.165,47 97.672,48 2.167,49 1.099,50 3.811,51 1.648,52 3.264,53 59.212,54 2.136,55 2.136,56 10583,57 12.698,58 3.812,59 3.265,60 3.251,61 4.863,62 1.69,63 5.425,64 4104,65 46.032,66 12.035,67 31,68 2.393,69 5}
{0 CHEMBL1830711,1 2.454,2 2.454,3 3.414,4 3.414,5 159.143,6 2.842,7 8.787,8 343,9 533.6,10 3.415,11 3.521,12 362.951,13 1,14 5.875,15 344.842,16 3.151,17 1.935,18 20.267,19 284.38,20 466.28,21 3.374,22 0.546,23 2.363,24 0.306,25 2.637,26 330.068,27 4.032,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 312,34 164.232,35 34.51,36 43,37 0.005,38 1.227,39 1.227,40 66.155,41 2.917,42 3.781,43 8.394,44 4.078,45 4.762,46 5.165,47 97.672,48 2.167,49 1.063,50 3.82,51 1.648,52 3.264,53 68.259,54 2.136,55 2.136,56 11229,57 12.698,58 3.812,59 3.265,60 3.251,61 4.625,62 1.69,63 4.849,64 4104,65 46.032,66 11.975,67 31,68 2.318,69 5}
{0 CHEMBL183234,1 2.543,2 2.543,3 3.479,4 3.479,5 246.103,6 3.119,7 12.32,8 417,9 653.61,10 3.698,11 4.131,12 444.246,13 1.909,14 6.14,15 424.111,16 4.58,17 2.626,18 31.305,19 423.38,20 631.96,21 3.495,22 1.618,23 3,24 1.077,25 2.809,26 478.182,27 11.795,28 1.686,29 3.466,30 3.466,31 31,32 4.143,33 444,34 228.755,35 48.042,36 60.667,37 0.127,38 1.693,39 1.693,40 90.768,41 3.695,42 4.268,43 12.137,44 4.216,45 4.902,46 5.493,47 140.898,48 2.67,49 1.496,50 4.115,51 2.866,52 3.533,53 48.484,54 3.382,55 3.382,56 29501,57 13.204,58 5.28,59 3.388,60 3.396,61 5.032,62 1.852,63 13.021,64 10528,65 56.111,66 19.969,67 45,68 3.276,69 6.23}
{0 CHEMBL183286,1 2.542,2 2.542,3 3.479,4 3.479,5 254.571,6 3.119,7 12.673,8 421,9 659.37,10 3.726,11 4.153,12 448.407,13 1.915,14 6.155,15 428.111,16 4.722,17 2.628,18 32.605,19 437.41,20 637.72,21 3.495,22 1.648,23 3.008,24 1.077,25 2.839,26 482.344,27 12.472,28 1.703,29 3.497,30 3.497,31 32,32 4.174,33 448,34 232.755,35 49.437,36 62.667,37 0.152,38 1.761,39 1.761,40 93.768,41 3.723,42 4.287,43 12.387,44 4.23,45 4.916,46 5.517,47 143.596,48 2.746,49 1.574,50 4.137,51 3,52 3.537,53 48.484,54 3.521,55 3.521,56 32720,57 13.206,58 5.28,59 3.408,60 3.43,61 5.013,62 1.874,63 13.791,64 11971,65 57.453,66 20.928,67 46,68 3.385,69 6.119}
{0 CHEMBL183304,1 2.587,2 2.587,3 3.404,4 3.404,5 241.81,6 3.055,7 12.448,8 396,9 611.83,10 3.667,11 3.898,12 421.964,13 1.76,14 6.15,15 396.977,16 4.471,17 2.597,18 30.767,19 407.57,20 573.79,21 3.581,22 1.454,23 2.849,24 0.903,25 2.985,26 423.489,27 11.998,28 2.082,29 3.466,30 3.466,31 31,32 4.143,33 396,34 199.351,35 47.112,36 61.5,37 0.153,38 1.601,39 1.601,40 90.36,41 3.711,42 4.072,43 10.82,44 4.311,45 4.997,46 5.442,47 126.419,48 2.531,49 1.492,50 4.024,51 2.662,52 3.557,53 46.996,54 3.137,55 3.137,56 28331,57 12.921,58 4.619,59 3.571,60 3.558,61 5.083,62 2.165,63 11.445,64 10825,65 59.7,66 21.259,67 44,68 2.592,69 6.169}
{0 CHEMBL183319,1 2.522,2 2.522,3 3.232,4 3.232,5 190.221,6 2.961,7 10.822,8 321,9 493.1,10 3.564,11 3.666,12 342.039,13 1.716,14 5.92,15 325.291,16 3.923,17 2.524,18 29.267,19 373.56,20 483.91,21 3.436,22 1.13,23 2.497,24 0.722,25 2.735,26 363.465,27 10.764,28 1.672,29 3.332,30 3.332,31 27,32 4.007,33 340,34 165.008,35 40.326,36 55.5,37 0.116,38 1.475,39 1.475,40 82.021,41 3.442,42 3.862,43 8.99,44 4.06,45 4.745,46 5.273,47 103.368,48 2.382,49 1.357,50 3.869,51 2.054,52 3.528,53 42.26,54 3.089,55 3.089,56 22568,57 12.633,58 3.952,59 3.505,60 3.483,61 4.968,62 1.748,63 10.984,64 8751,65 48.662,66 20.634,67 36,68 2.213,69 6.469}
{0 CHEMBL183541,1 2.752,2 2.752,3 3.386,4 3.386,5 243.261,6 3.301,7 12.098,8 453,9 709.33,10 3.685,11 4.029,12 482.968,13 1.877,14 6.183,15 460.111,16 4.484,17 2.566,18 29.505,19 417.32,20 680.14,21 3.685,22 1.895,23 3.055,24 1.07,25 3.215,26 512.442,27 8.408,28 1.647,29 3.466,30 3.466,31 31,32 4.143,33 476,34 225.088,35 48.36,36 60.667,37 0.133,38 1.782,39 1.782,40 91.223,41 3.692,42 4.221,43 11.886,44 4.334,45 5.021,46 5.476,47 136.555,48 2.768,49 1.213,50 4.081,51 2.779,52 3.637,53 54.855,54 3.893,55 3.893,56 33539,57 13.09,58 5.264,59 3.355,60 3.414,61 5.072,62 2.439,63 9.507,64 10643,65 60.329,66 19.223,67 45,68 2.7,69 6.55}
{0 CHEMBL183756,1 2.743,2 2.743,3 3.75,4 3.75,5 255.273,6 3.201,7 14.071,8 467,9 717.69,10 3.869,11 4.015,12 501.748,13 1.979,14 6.247,15 470.287,16 5.248,17 2.87,18 37.133,19 463.6,20 711.36,21 3.728,22 1.568,23 2.959,24 1.16,25 2.859,26 547.934,27 13.478,28 1.872,29 3.526,30 3.526,31 33,32 4.205,33 502,34 231.231,35 49.984,36 71.5,37 0.157,38 1.685,39 1.685,40 104.912,41 3.618,42 4.166,43 10.34,44 4.357,45 5.043,46 5.509,47 135.549,48 2.66,49 1.459,50 4.087,51 2.596,52 3.512,53 42.043,54 3.384,55 3.384,56 51997,57 13.278,58 4.915,59 3.506,60 3.495,61 5.049,62 1.891,63 13.178,64 15501,65 61.999,66 25.855,67 46,68 2.235,69 5.983}
{0 CHEMBL183807,1 2.591,2 2.591,3 3.314,4 3.314,5 249.174,6 3.235,7 13.143,8 420,9 647.92,10 3.68,11 3.83,12 447.819,13 1.831,14 6.168,15 446.855,16 4.733,17 2.526,18 34.667,19 423.56,20 612.5,21 3.587,22 2.118,23 3,24 0.952,25 3.053,26 452.702,27 11.601,28 1.771,29 3.526,30 3.526,31 33,32 4.205,33 424,34 193.624,35 49.584,36 67.5,37 0.127,38 1.794,39 1.794,40 94.215,41 3.502,42 4.001,43 10.588,44 4.321,45 5.007,46 5.493,47 131.696,48 2.739,49 1.518,50 3.994,51 2.781,52 3.567,53 52.01,54 3.495,55 3.495,56 41616,57 12.929,58 4.616,59 3.509,60 3.518,61 4.99,62 2.165,63 11.681,64 15812,65 61.626,66 22.985,67 44,68 1.92,69 5.373}
{0 CHEMBL183808,1 2.522,2 2.522,3 3.232,4 3.232,5 190.221,6 2.961,7 10.822,8 309,9 474.98,10 3.477,11 3.612,12 328.693,13 1.636,14 5.92,15 326.576,16 3.928,17 2.101,18 29.667,19 356.5,20 462.55,21 3.467,22 1.13,23 2.497,24 0.722,25 2.735,26 346.356,27 10.642,28 1.672,29 3.332,30 3.332,31 27,32 4.007,33 324,34 150.296,35 40.326,36 56,37 0.116,38 1.475,39 1.475,40 77.888,41 3.296,42 3.787,43 8.355,44 4.06,45 4.745,46 5.273,47 103.368,48 2.445,49 1.296,50 3.772,51 2.054,52 3.477,53 38.858,54 3.089,55 3.089,56 21072,57 12.633,58 3.952,59 3.498,60 3.484,61 4.685,62 1.748,63 10.345,64 8751,65 48.662,66 20.314,67 36,68 1.634,69 5.342}
{0 CHEMBL183911,1 2.877,2 2.877,3 3.667,4 3.667,5 318.423,6 3.396,7 14.995,8 523,9 819.81,10 3.875,11 4.278,12 556.295,13 2.048,14 6.365,15 535.565,16 5.545,17 2.738,18 36.871,19 501.45,20 779.76,21 3.849,22 2.118,23 3.404,24 1.317,25 3.235,26 583.224,27 14.352,28 2.158,29 3.664,30 3.664,31 38,32 4.344,33 544,34 273.41,35 58.836,36 73.667,37 0.151,38 1.968,39 1.968,40 109.474,41 3.875,42 4.425,43 14.62,44 4.469,45 5.156,46 5.694,47 171.861,48 2.956,49 1.755,50 4.285,51 3.161,52 3.638,53 67.913,54 4.56,55 4.56,56 57205,57 13.384,58 5.328,59 3.447,60 3.456,61 5.128,62 2.531,63 14.856,64 20395,65 71.087,66 23.592,67 56,68 3.677,69 6.569}
{0 CHEMBL184098,1 2.569,2 2.569,3 3.349,4 3.349,5 254.27,6 3.201,7 13.008,8 470,9 721.8,10 3.684,11 3.929,12 500.02,13 1.824,14 6.195,15 505.324,16 4.789,17 2.584,18 34.333,19 424.5,20 690.65,21 3.529,22 2.118,23 3,24 0.931,25 3.17,26 516.135,27 10.879,28 1.879,29 3.526,30 3.526,31 33,32 4.205,33 480,34 196.951,35 49.724,36 69,37 0.144,38 1.739,39 1.739,40 95.307,41 3.635,42 4.064,43 10.521,44 4.347,45 5.034,46 5.493,47 131.974,48 2.721,49 1.345,50 4.003,51 2.653,52 3.521,53 60.912,54 3.292,55 3.292,56 46197,57 12.976,58 4.828,59 3.424,60 3.41,61 5.181,62 2.388,63 10.136,64 14812,65 62.527,66 22.604,67 45,68 1.918,69 5.124}
{0 CHEMBL184531,1 2.586,2 2.586,3 3.44,4 3.44,5 243.984,6 3.271,7 12.872,8 391,9 603.76,10 3.696,11 3.834,12 418.301,13 2.074,14 6.165,15 395.291,16 4.608,17 2.782,18 32.067,19 421.6,20 575.55,21 3.576,22 1.816,23 3.104,24 1.014,25 3.047,26 427.415,27 11.287,28 2.086,29 3.497,30 3.497,31 32,32 4.174,33 400,34 199.011,35 48.331,36 63.5,37 0.136,38 1.76,39 1.76,40 93.718,41 3.544,42 4.03,43 11.009,44 4.324,45 5.011,46 5.468,47 128.764,48 2.725,49 1.588,50 4.024,51 2.709,52 3.558,53 48.631,54 3.151,55 3.151,56 34586,57 12.89,58 5.027,59 3.572,60 3.559,61 4.986,62 2.164,63 12.279,64 13406,65 61.102,66 22.236,67 44,68 2.613,69 6.114}
{0 CHEMBL184838,1 2.529,2 2.529,3 3.314,4 3.314,5 232.121,6 3.199,7 12.02,8 426,9 654.4,10 3.624,11 3.807,12 453.053,13 1.712,14 6.112,15 455.87,16 4.419,17 2.519,18 32.167,19 396.49,20 618.93,21 3.524,22 1.931,23 3,24 0.903,25 2.838,26 457.782,27 10.652,28 1.674,29 3.466,30 3.466,31 31,32 4.143,33 428,34 183.957,35 46.475,36 64,37 0.111,38 1.554,39 1.554,40 89.459,41 3.419,42 3.976,43 9.95,44 4.28,45 4.966,46 5.425,47 122.975,48 2.52,49 1.305,50 3.927,51 2.594,52 3.455,53 60.912,54 3.267,55 3.267,56 36794,57 12.905,58 4.463,59 3.419,60 3.409,61 4.992,62 1.881,63 10.135,64 12414,65 58.483,66 20.968,67 42,68 1.877,69 5.848}
{0 CHEMBL184917,1 2.522,2 2.522,3 3.232,4 3.232,5 190.221,6 2.961,7 10.822,8 321,9 493.58,10 3.564,11 3.67,12 342.336,13 1.716,14 5.92,15 325.291,16 3.924,17 2.524,18 29.267,19 373.56,20 483.95,21 3.432,22 1.13,23 2.497,24 0.722,25 2.735,26 363.596,27 10.61,28 1.672,29 3.332,30 3.332,31 27,32 4.007,33 340,34 165.453,35 40.326,36 55.5,37 0.116,38 1.475,39 1.475,40 82.021,41 3.443,42 3.852,43 8.99,44 4.06,45 4.745,46 5.273,47 103.368,48 2.404,49 1.347,50 3.869,51 2.054,52 3.53,53 42.26,54 3.089,55 3.089,56 22436,57 12.633,58 3.952,59 3.508,60 3.485,61 5.119,62 1.748,63 10.915,64 8751,65 48.662,66 20.634,67 36,68 2.208,69 5.961}
{0 CHEMBL185046,1 2.522,2 2.522,3 3.232,4 3.232,5 190.221,6 2.961,7 10.822,8 321,9 493.1,10 3.485,11 3.613,12 342.039,13 1.636,14 5.92,15 340.688,16 3.918,17 2.101,18 29.767,19 357.49,20 483.91,21 3.461,22 1.13,23 2.497,24 0.722,25 2.735,26 363.465,27 10.215,28 1.672,29 3.332,30 3.332,31 27,32 4.007,33 340,34 151.628,35 40.326,36 56.5,37 0.116,38 1.475,39 1.475,40 78.388,41 3.3,42 3.789,43 8.355,44 4.06,45 4.745,46 5.273,47 103.368,48 2.395,49 1.253,50 3.777,51 2.054,52 3.474,53 56.953,54 3.089,55 3.089,56 22568,57 12.633,58 3.952,59 3.491,60 3.477,61 4.742,62 1.748,63 10.148,64 8751,65 48.662,66 20.249,67 36,68 1.568,69 5.414}
{0 CHEMBL185054,1 2.591,2 2.591,3 3.314,4 3.314,5 249.174,6 3.235,7 13.143,8 436,9 670.29,10 3.684,11 3.833,12 465.063,13 1.828,14 6.168,15 465.87,16 4.735,17 2.526,18 34.767,19 424.55,20 633.47,21 3.587,22 2.118,23 3,24 0.952,25 3.053,26 469.048,27 11.1,28 1.771,29 3.526,30 3.526,31 33,32 4.205,33 438,34 194.289,35 49.584,36 68,37 0.127,38 1.794,39 1.794,40 94.594,41 3.504,42 4.007,43 10.588,44 4.321,45 5.007,46 5.493,47 131.696,48 2.761,49 1.483,50 3.994,51 2.781,52 3.567,53 60.912,54 3.495,55 3.495,56 43676,57 12.929,58 4.616,59 3.504,60 3.496,61 4.903,62 2.165,63 10.682,64 15812,65 61.626,66 22.921,67 44,68 1.902,69 6.64}
{0 CHEMBL185290,1 2.522,2 2.522,3 3.232,4 3.232,5 190.221,6 2.961,7 10.822,8 345,9 533.3,10 3.706,11 4.07,12 367.628,13 1.729,14 5.92,15 339.024,16 3.932,17 2.532,18 28.433,19 438.42,20 542.95,21 3.436,22 1.13,23 2.497,24 0.722,25 2.735,26 417.046,27 10.796,28 1.672,29 3.332,30 3.332,31 27,32 4.007,33 388,34 208.334,35 40.326,36 55.25,37 0.116,38 1.475,39 1.475,40 90.392,41 3.898,42 4.164,43 9.988,44 4.06,45 4.745,46 5.273,47 103.368,48 2.382,49 1.239,50 4.077,51 2.054,52 3.562,53 42.13,54 3.089,55 3.089,56 25496,57 12.633,58 3.952,59 3.505,60 3.482,61 4.934,62 1.748,63 11.203,64 8751,65 48.662,66 21.109,67 36,68 2.409,69 6.17}
{0 CHEMBL185392,1 2.585,2 2.585,3 3.44,4 3.44,5 246.665,6 3.261,7 12.884,8 391,9 603.98,10 3.696,11 3.9,12 418.435,13 2.024,14 6.165,15 395.291,16 4.61,17 2.765,18 32.067,19 421.6,20 575.57,21 3.578,22 1.82,23 3.078,24 0.903,25 3.047,26 427.48,27 12.566,28 2.086,29 3.497,30 3.497,31 32,32 4.174,33 400,34 199.011,35 48.311,36 63.5,37 0.178,38 1.756,39 1.756,40 93.718,41 3.716,42 4.045,43 10.934,44 4.324,45 5.011,46 5.468,47 128.807,48 2.721,49 1.588,50 4.024,51 2.711,52 3.558,53 48.631,54 3.153,55 3.153,56 32966,57 12.892,58 4.945,59 3.572,60 3.559,61 5.162,62 2.164,63 12.315,64 12794,65 61.116,66 22.236,67 44,68 2.65,69 6.087}
{0 CHEMBL185419,1 2.529,2 2.529,3 3.208,4 3.208,5 212.455,6 2.844,7 11.573,8 369,9 569.07,10 3.552,11 3.736,12 392.365,13 1.758,14 6.027,15 393.242,16 4.291,17 2.522,18 32,19 386.48,20 567.64,21 3.524,22 1.286,23 2.596,24 0.91,25 2.832,26 433.46,27 11.048,28 1.699,29 3.401,30 3.401,31 29,32 4.078,33 402,34 166.286,35 43.922,36 62,37 0.124,38 1.435,39 1.435,40 84.734,41 3.388,42 3.925,43 9.077,44 4.159,45 4.844,46 5.352,47 113.589,48 2.456,49 1.271,50 3.864,51 2.111,52 3.414,53 42.043,54 2.988,55 2.988,56 32789,57 12.816,58 4.075,59 3.424,60 3.409,61 4.884,62 1.849,63 11.051,64 10549,65 53.02,66 21.931,67 41,68 1.807,69 5.739}
{0 CHEMBL185490,1 2.522,2 2.522,3 3.232,4 3.232,5 190.221,6 2.961,7 10.822,8 321,9 493.58,10 3.485,11 3.615,12 342.336,13 1.636,14 5.92,15 340.688,16 3.919,17 2.101,18 29.767,19 357.49,20 483.95,21 3.457,22 1.13,23 2.497,24 0.722,25 2.735,26 363.596,27 10.085,28 1.672,29 3.332,30 3.332,31 27,32 4.007,33 340,34 151.85,35 40.326,36 56.5,37 0.116,38 1.475,39 1.475,40 78.388,41 3.302,42 3.786,43 8.355,44 4.06,45 4.745,46 5.273,47 103.368,48 2.416,49 1.257,50 3.777,51 2.054,52 3.475,53 56.953,54 3.089,55 3.089,56 22436,57 12.633,58 3.952,59 3.492,60 3.479,61 4.855,62 1.748,63 9.856,64 8751,65 48.662,66 20.249,67 36,68 1.567,69 5.765}
{0 CHEMBL185529,1 2.504,2 2.504,3 3.314,4 3.314,5 217.282,6 3.182,7 11.78,8 444,9 684.42,10 3.731,11 4.046,12 473.283,13 1.744,14 6.097,15 463.603,16 4.272,17 2.527,18 30.033,19 447.32,20 671.21,21 3.46,22 1.611,23 2.953,24 0.702,25 2.799,26 507.509,27 9.157,28 1.748,29 3.434,30 3.434,31 30,32 4.111,33 472,34 222.283,35 44.905,36 61.75,37 0.111,38 1.645,39 1.645,40 94.602,41 3.587,42 4.165,43 10.868,44 4.266,45 4.952,46 5.398,47 119.979,48 2.623,49 1.107,50 4.101,51 2.536,52 3.64,53 60.781,54 3.03,55 3.03,56 41819,57 12.885,58 4.463,59 3.312,60 3.379,61 4.74,62 1.843,63 9.577,64 12083,65 57.33,66 20.461,67 40,68 1.854,69 6.057}
{0 CHEMBL185602,1 2.543,2 2.543,3 3.314,4 3.314,5 227.809,6 3.209,7 11.922,8 426,9 654.23,10 3.624,11 3.722,12 453.017,13 1.703,14 6.112,15 455.87,16 4.419,17 2.521,18 32.167,19 396.49,20 618.93,21 3.536,22 1.614,23 2.959,24 0.785,25 2.85,26 457.764,27 9.87,28 1.756,29 3.466,30 3.466,31 31,32 4.143,33 428,34 184.289,35 46.681,36 64,37 0.111,38 1.651,39 1.651,40 89.459,41 3.376,42 3.913,43 10.389,44 4.28,45 4.966,46 5.425,47 122.655,48 2.631,49 1.283,50 3.927,51 2.552,52 3.503,53 60.912,54 3.447,55 3.447,56 39234,57 12.901,58 4.463,59 3.396,60 3.398,61 4.878,62 1.935,63 9.778,64 13242,65 58.282,66 20.968,67 42,68 1.743,69 6.42}
{0 CHEMBL185659,1 2.887,2 2.887,3 3.687,4 3.687,5 352.906,6 3.779,7 16.757,8 526,9 815.78,10 3.872,11 4.212,12 561.968,13 2.064,14 6.48,15 554.19,16 5.683,17 2.797,18 39.333,19 495.68,20 712.37,21 3.856,22 2.492,23 3.414,24 1.393,25 3.366,26 505.394,27 16.795,28 2.543,29 3.738,30 3.738,31 41,32 4.419,33 476,34 249.298,35 61.833,36 78.5,37 0.222,38 2.011,39 2.011,40 111.562,41 4.01,42 4.232,43 13.011,44 4.649,45 5.338,46 5.753,47 177.136,48 2.969,49 2.147,50 4.227,51 3.265,52 3.625,53 70.627,54 5.481,55 5.481,56 55736,57 13.374,58 5.325,59 3.64,60 3.627,61 5.243,62 2.659,63 14.648,64 24293,65 81.045,66 25.193,67 55,68 3.073,69 6.346}
{0 CHEMBL185911,1 2.551,2 2.551,3 3.314,4 3.314,5 237.776,6 3.217,7 12.302,8 430,9 660.49,10 3.654,11 3.779,12 457.357,13 1.704,14 6.128,15 459.87,16 4.57,17 2.522,18 33.467,19 410.52,20 624.73,21 3.545,22 2.083,23 3,24 0.841,25 2.871,26 462.009,27 10.477,28 1.758,29 3.497,30 3.497,31 32,32 4.174,33 432,34 188.289,35 47.827,36 66,37 0.111,38 1.656,39 1.656,40 92.459,41 3.442,42 3.961,43 10.489,44 4.294,45 4.98,46 5.451,47 125.429,48 2.637,49 1.357,50 3.953,51 2.575,52 3.521,53 60.912,54 3.488,55 3.488,56 41453,57 12.905,58 4.463,59 3.476,60 3.464,61 4.968,62 1.967,63 10.228,64 14525,65 59.741,66 21.944,67 43,68 1.836,69 6.517}
{0 CHEMBL185994,1 2.877,2 2.877,3 3.485,4 3.485,5 297.663,6 3.26,7 15.037,8 452,9 699.7,10 3.789,11 4.07,12 482.668,13 1.746,14 6.321,15 478.372,16 5.137,17 2.735,18 37.833,19 461.67,20 623.03,21 3.849,22 2.175,23 3.251,24 1.268,25 3.235,26 445.128,27 15.947,28 2.024,29 3.638,30 3.638,31 37,32 4.317,33 420,34 220.301,35 55.288,36 72.5,37 0.131,38 1.817,39 1.817,40 102.956,41 3.734,42 4.117,43 11.444,44 4.477,45 5.165,46 5.631,47 154.832,48 2.786,49 2.001,50 4.121,51 3.049,52 3.625,53 62.198,54 4.115,55 4.115,56 45501,57 13.223,58 5.095,59 3.517,60 3.512,61 4.996,62 2.531,63 14.357,64 20291,65 70.153,66 24.437,67 48,68 2.801,69 6.253}
{0 CHEMBL186018,1 2.691,2 2.691,3 3.462,4 3.462,5 326.064,6 3.247,7 15.012,8 466,9 718.76,10 3.858,11 4.11,12 492.404,13 1.747,14 6.315,15 492.372,16 5.545,17 2.493,18 39.833,19 487.71,20 639.07,21 3.649,22 2.378,23 3.363,24 0.973,25 3.234,26 453.048,27 16.355,28 2.022,29 3.714,30 3.714,31 40,32 4.394,33 430,34 234.135,35 59.284,36 76.5,37 0.122,38 1.818,39 1.818,40 111.184,41 3.834,42 4.157,43 12.93,44 4.5,45 5.187,46 5.68,47 159.103,48 2.787,49 2.089,50 4.171,51 3.247,52 3.641,53 62.198,54 4.123,55 4.123,56 53544,57 13.119,58 5.042,59 3.524,60 3.521,61 5.217,62 2.454,63 15.483,64 25268,65 73.875,66 24.982,67 52,68 3.769,69 6.642}
{0 CHEMBL186453,1 2.828,2 2.828,3 3.473,4 3.473,5 202.181,6 3.035,7 11.269,8 396,9 637.61,10 3.553,11 3.846,12 423.345,13 2.031,14 6.105,15 409.783,16 4.701,17 2.916,18 27.719,19 378.2,20 668.01,21 3.739,22 0.696,23 2.612,24 0.941,25 2.82,26 535.109,27 6.777,28 1.464,29 3.296,30 3.296,31 26,32 3.97,33 488,34 219.56,35 45.608,36 55.667,37 0.12,38 1.414,39 1.414,40 77.341,41 3.734,42 3.995,43 9.75,44 4.052,45 4.736,46 5.398,47 137.279,48 2.306,49 1.174,50 4.031,51 2.366,52 3.407,53 10.187,54 3.335,55 3.335,56 26567,57 13.494,58 5.188,59 3.068,60 3.079,61 4.985,62 1.948,63 8.287,64 5696,65 47.545,66 17.736,67 42,68 2.573,69 7.699}
{0 CHEMBL186584,1 2.61,2 2.61,3 3.325,4 3.325,5 269.193,6 3.289,7 13.641,8 452,9 693.2,10 3.713,11 4.036,12 480.3,13 1.855,14 6.207,15 483.688,16 4.896,17 2.737,18 36.067,19 438.58,20 646.45,21 3.572,22 2.118,23 3.112,24 1.07,25 3.117,26 475.619,27 14.696,28 2.011,29 3.555,30 3.555,31 34,32 4.234,33 444,34 202.622,35 51.812,36 70,37 0.177,38 1.757,39 1.757,40 97.001,41 3.755,42 4.118,43 10.856,44 4.347,45 5.034,46 5.533,47 138.553,48 2.729,49 1.63,50 4.044,51 2.792,52 3.556,53 60.912,54 4.429,55 4.429,56 43355,57 12.971,58 4.848,59 3.424,60 3.411,61 5.01,62 2.254,63 13.55,64 15575,65 63.257,66 23.9,67 47,68 2.319,69 6.618}
{0 CHEMBL187077,1 2.615,2 2.615,3 3.314,4 3.314,5 273.657,6 3.235,7 13.737,8 446,9 686.23,10 3.741,11 4.008,12 474.583,13 1.919,14 6.197,15 475.87,16 5.034,17 2.53,18 37.367,19 452.61,20 645.99,21 3.616,22 2.118,23 3.211,24 1.097,25 3.09,26 477.064,27 13.449,28 1.771,29 3.584,30 3.584,31 35,32 4.263,33 446,34 203.289,35 52.407,36 72,37 0.127,38 1.811,39 1.811,40 100.822,41 3.686,42 4.125,43 10.918,44 4.347,45 5.034,46 5.541,47 137.354,48 2.779,49 1.642,50 4.042,51 2.863,52 3.575,53 60.912,54 3.498,55 3.498,56 47326,57 12.951,58 4.661,59 3.506,60 3.498,61 5.072,62 2.201,63 12.29,64 17954,65 64.11,66 24.881,67 47,68 2.229,69 6.376}
{0 CHEMBL187151,1 2.586,2 2.586,3 3.314,4 3.314,5 254.656,6 3.233,7 13.008,8 441,9 676.68,10 3.684,11 3.943,12 468.758,13 1.853,14 6.168,15 471.779,16 4.729,17 2.723,18 34.767,19 424.55,20 635.57,21 3.562,22 2.118,23 3,24 1.042,25 3.061,26 468.782,27 12.956,28 1.87,29 3.526,30 3.526,31 33,32 4.205,33 438,34 195.289,35 49.713,36 68,37 0.144,38 1.754,39 1.754,40 94.73,41 3.611,42 4.06,43 10.528,44 4.321,45 5.007,46 5.493,47 132.205,48 2.722,49 1.506,50 3.999,51 2.665,52 3.543,53 60.912,54 3.287,55 3.287,56 42020,57 12.94,58 4.717,59 3.424,60 3.41,61 5.242,62 2.17,63 12.14,64 14800,65 61.594,66 22.921,67 45,68 2.08,69 6.037}
{0 CHEMBL187342,1 2.877,2 2.877,3 3.314,4 3.314,5 256.813,6 3.235,7 14.022,8 430,9 662.8,10 3.706,11 3.824,12 460.229,13 1.735,14 6.254,15 456.372,16 4.699,17 2.725,18 33.933,19 419.58,20 596.92,21 3.849,22 2.118,23 3.237,24 1.042,25 3.163,26 428.766,27 11.915,28 2.007,29 3.555,30 3.555,31 34,32 4.234,33 404,34 201.969,35 50.153,36 66.5,37 0.098,38 1.769,39 1.769,40 94.163,41 3.453,42 3.906,43 10.471,44 4.419,45 5.106,46 5.549,47 142.169,48 2.728,49 1.697,50 4.04,51 3,52 3.607,53 59.013,54 3.725,55 3.725,56 40400,57 13.1,58 4.919,59 3.516,60 3.511,61 4.74,62 2.44,63 11.154,64 17152,65 65.886,66 21.54,67 41,68 2.263,69 5.445}
{0 CHEMBL187398,1 2.877,2 2.877,3 3.485,4 3.485,5 297.663,6 3.26,7 15.037,8 466,9 723,10 3.794,11 4.078,12 498.502,13 1.746,14 6.321,15 494.837,16 5.139,17 2.735,18 37.933,19 462.66,20 645.47,21 3.849,22 2.175,23 3.251,24 1.268,25 3.235,26 462.508,27 13.876,28 2.024,29 3.638,30 3.638,31 37,32 4.317,33 436,34 222.494,35 55.288,36 73,37 0.131,38 1.817,39 1.817,40 103.411,41 3.736,42 4.124,43 11.444,44 4.477,45 5.165,46 5.631,47 154.832,48 2.784,49 1.951,50 4.127,51 3.049,52 3.625,53 61.769,54 4.115,55 4.115,56 47165,57 13.223,58 5.095,59 3.513,60 3.507,61 4.988,62 2.531,63 12.798,64 20291,65 70.153,66 24.374,67 48,68 2.646,69 5.196}
{0 CHEMBL187537,1 2.504,2 2.504,3 3.314,4 3.314,5 217.282,6 3.182,7 11.78,8 420,9 644.22,10 3.592,11 3.63,12 447.694,13 1.703,14 6.097,15 449.87,16 4.262,17 2.516,18 30.867,19 382.46,20 612.17,21 3.493,22 1.611,23 2.953,24 0.702,25 2.799,26 453.928,27 8.891,28 1.748,29 3.434,30 3.434,31 30,32 4.111,33 424,34 178.957,35 44.905,36 62,37 0.111,38 1.645,39 1.645,40 86.231,41 3.33,42 3.864,43 9.871,44 4.266,45 4.952,46 5.398,47 119.979,48 2.624,49 1.222,50 3.9,51 2.536,52 3.491,53 60.912,54 3.03,55 3.03,56 37223,57 12.885,58 4.463,59 3.312,60 3.379,61 4.783,62 1.843,63 9.179,64 12083,65 57.33,66 19.993,67 40,68 1.64,69 5.473}
{0 CHEMBL187939,1 2.877,2 2.877,3 3.485,4 3.485,5 306.107,6 3.26,7 15.39,8 456,9 705.46,10 3.815,11 4.091,12 486.83,13 1.776,14 6.333,15 482.372,16 5.28,17 2.736,18 39.133,19 475.7,20 628.79,21 3.849,22 2.29,23 3.278,24 1.268,25 3.235,26 449.289,27 16.531,28 2.025,29 3.664,30 3.664,31 38,32 4.344,33 424,34 224.301,35 56.586,36 74.5,37 0.147,38 1.828,39 1.828,40 105.956,41 3.764,42 4.139,43 11.694,44 4.489,45 5.176,46 5.652,47 157.505,48 2.798,49 2.079,50 4.142,51 3.076,52 3.627,53 62.198,54 4.116,55 4.116,56 49924,57 13.225,58 5.095,59 3.569,60 3.557,61 5.076,62 2.531,63 15.087,64 22560,65 71.498,66 25.406,67 49,68 2.904,69 5.996}
{0 CHEMBL187959,1 2.529,2 2.529,3 3.314,4 3.314,5 240.182,6 3.201,7 12.374,8 418,9 640.36,10 3.648,11 3.837,12 444.436,13 1.729,14 6.128,15 444.106,16 4.557,17 2.52,18 33.4,19 409.54,20 599.17,21 3.524,22 2.118,23 3,24 0.903,25 2.839,26 441.31,27 11.389,28 1.756,29 3.497,30 3.497,31 32,32 4.174,33 412,34 186.3,35 47.768,36 65.5,37 0.111,38 1.647,39 1.647,40 92.005,41 3.447,42 3.997,43 10.2,44 4.294,45 4.98,46 5.451,47 125.639,48 2.631,49 1.468,50 3.946,51 2.596,52 3.493,53 47.425,54 3.285,55 3.285,56 39473,57 12.907,58 4.463,59 3.424,60 3.41,61 5.267,62 1.882,63 10.994,64 14053,65 59.815,66 21.944,67 43,68 2.043,69 6.027}
{0 CHEMBL188080,1 2.877,2 2.877,3 3.463,4 3.463,5 272.165,6 3.243,7 14.443,8 442,9 683.78,10 3.734,11 3.892,12 473.149,13 1.742,14 6.295,15 468.372,16 4.849,17 2.735,18 35.233,19 433.61,20 610.51,21 3.849,22 2.167,23 3.247,24 1.098,25 3.234,26 437.112,27 13.45,28 2.02,29 3.584,30 3.584,31 35,32 4.263,33 412,34 211.301,35 52.486,36 68.5,37 0.131,38 1.813,39 1.813,40 96.728,41 3.547,42 4.003,43 11.086,44 4.454,45 5.142,46 5.587,47 149.129,48 2.78,49 1.841,50 4.076,51 3,52 3.617,53 62.198,54 3.933,55 3.933,56 41887,57 13.207,58 5.091,59 3.517,60 3.511,61 4.822,62 2.531,63 12.577,64 18057,65 67.654,66 22.504,67 45,68 2.431,69 5.971}
{0 CHEMBL188286,1 2.877,2 2.877,3 3.485,4 3.485,5 297.663,6 3.26,7 15.037,8 468,9 723.86,10 3.795,11 4.071,12 499.875,13 1.746,14 6.321,15 498.017,16 5.138,17 2.735,18 37.933,19 462.66,20 646.15,21 3.849,22 2.175,23 3.251,24 1.268,25 3.235,26 462.394,27 14.539,28 2.024,29 3.638,30 3.638,31 37,32 4.317,33 436,34 222.41,35 55.288,36 73,37 0.131,38 1.817,39 1.817,40 103.411,41 3.736,42 4.129,43 11.444,44 4.477,45 5.165,46 5.631,47 154.832,48 2.786,49 1.952,50 4.126,51 3.049,52 3.623,53 71.123,54 4.115,55 4.115,56 47297,57 13.223,58 5.095,59 3.513,60 3.508,61 4.988,62 2.531,63 12.462,64 20291,65 70.153,66 24.374,67 48,68 2.669,69 6.007}
{0 CHEMBL188455,1 2.877,2 2.877,3 3.485,4 3.485,5 281.053,6 3.262,7 14.33,8 444,9 688.34,10 3.734,11 4.031,12 474.352,13 1.671,14 6.295,15 470.372,16 4.852,17 2.719,18 35.233,19 433.61,20 611.51,21 3.849,22 2.118,23 3.206,24 1.213,25 3.23,26 436.804,27 14.363,28 2.022,29 3.584,30 3.584,31 35,32 4.263,33 412,34 212.412,35 52.71,36 68.5,37 0.171,38 1.798,39 1.798,40 96.956,41 3.718,42 4.069,43 10.944,44 4.454,45 5.142,46 5.587,47 149.734,48 2.769,49 1.862,50 4.076,51 3,52 3.619,53 62.198,54 4.114,55 4.114,56 37311,57 13.219,58 5.095,59 3.44,60 3.429,61 4.917,62 2.529,63 13.132,64 16193,65 67.601,66 22.504,67 46,68 2.61,69 5.868}
{0 CHEMBL188538,1 2.626,2 2.626,3 3.457,4 3.457,5 292.189,6 3.235,7 13.768,8 446,9 687.09,10 3.789,11 4.018,12 471.555,13 1.744,14 6.242,15 472.372,16 5.102,17 2.305,18 37.833,19 461.67,20 614.03,21 3.566,22 2.176,23 3.248,24 0.942,25 2.966,26 436.66,27 14.797,28 1.772,29 3.638,30 3.638,31 37,32 4.317,33 414,34 213.968,35 54.802,36 72.5,37 0.114,38 1.727,39 1.727,40 105.078,41 3.724,42 4.09,43 11.748,44 4.443,45 5.13,46 5.587,47 143.567,48 2.717,49 1.841,50 4.079,51 3,52 3.58,53 62.198,54 3.534,55 3.534,56 46129,57 13.074,58 4.468,59 3.518,60 3.51,61 5.235,62 2.116,63 14.22,64 20703,65 68.873,66 24.437,67 48,68 2.797,69 6.223}
{0 CHEMBL188977,1 2.877,2 2.877,3 3.485,4 3.485,5 297.663,6 3.26,7 15.037,8 484,9 747.81,10 3.797,11 4.087,12 517.21,13 1.747,14 6.321,15 519.226,16 5.159,17 2.735,18 38,19 463.64,20 671.26,21 3.849,22 2.175,23 3.251,24 1.268,25 3.235,26 482.568,27 13.621,28 2.024,29 3.638,30 3.638,31 37,32 4.317,33 454,34 223.454,35 55.288,36 73.5,37 0.131,38 1.817,39 1.817,40 103.744,41 3.738,42 4.141,43 11.444,44 4.477,45 5.165,46 5.631,47 154.832,48 2.787,49 1.862,50 4.128,51 3.049,52 3.617,53 72.79,54 4.115,55 4.115,56 48911,57 13.223,58 5.095,59 3.512,60 3.506,61 4.95,62 2.531,63 11.727,64 20291,65 70.153,66 24.374,67 48,68 2.591,69 6.103}
{0 CHEMBL189264,1 2.951,2 2.951,3 3.752,4 3.752,5 344.939,6 3.722,7 16.309,8 494,9 767.08,10 3.837,11 4.189,12 528.087,13 1.893,14 6.469,15 514.918,16 5.544,17 2.739,18 37.867,19 479.68,20 662.05,21 3.942,22 2.492,23 3.414,24 1.518,25 3.338,26 467.157,27 16.864,28 2.544,29 3.714,30 3.714,31 40,32 4.394,33 440,34 242.311,35 60.835,36 75.5,37 0.202,38 1.907,39 1.907,40 107.846,41 4.005,42 4.221,43 12.868,44 4.64,45 5.328,46 5.733,47 175.729,48 2.879,49 2.222,50 4.193,51 3.259,52 3.625,53 55.512,54 4.838,55 4.838,56 48281,57 13.394,58 5.322,59 3.64,60 3.626,61 5.186,62 2.685,63 15.31,64 21928,65 80.074,66 24.274,67 55,68 3.221,69 6.498}
{0 CHEMBL189290,1 2.885,2 2.885,3 3.655,4 3.655,5 348.908,6 3.787,7 16.745,8 526,9 815.52,10 3.872,11 4.188,12 561.833,13 2.092,14 6.48,15 554.19,16 5.68,17 2.809,18 39.333,19 495.68,20 712.35,21 3.855,22 2.495,23 3.414,24 1.393,25 3.442,26 505.329,27 16.484,28 2.544,29 3.738,30 3.738,31 41,32 4.419,33 476,34 249.298,35 61.881,36 78.5,37 0.23,38 2.072,39 2.072,40 111.562,41 3.94,42 4.215,43 13.086,44 4.649,45 5.338,46 5.753,47 177.528,48 3.035,49 2.147,50 4.227,51 3.277,52 3.626,53 70.627,54 5.64,55 5.64,56 58536,57 13.373,58 5.334,59 3.64,60 3.627,61 5.077,62 2.762,63 14.686,64 25469,65 81.246,66 25.193,67 55,68 3.085,69 6.056}
{0 CHEMBL189516,1 2.877,2 2.877,3 3.485,4 3.485,5 289.305,6 3.26,7 14.683,8 448,9 693.94,10 3.762,11 4.043,12 478.507,13 1.711,14 6.308,15 474.372,16 4.995,17 2.731,18 36.533,19 447.64,20 617.27,21 3.849,22 2.118,23 3.219,24 1.268,25 3.233,26 440.966,27 15.371,28 2.023,29 3.611,30 3.611,31 36,32 4.29,33 416,34 216.301,35 53.975,36 70.5,37 0.127,38 1.808,39 1.808,40 99.956,41 3.706,42 4.096,43 11.194,44 4.466,45 5.153,46 5.609,47 152.414,48 2.777,49 1.927,50 4.099,51 3.02,52 3.622,53 62.198,54 4.115,55 4.115,56 41298,57 13.221,58 5.095,59 3.455,60 3.459,61 5.002,62 2.531,63 13.736,64 18170,65 68.954,66 23.469,67 47,68 2.716,69 5.451}
{0 CHEMBL189623,1 2.877,2 2.877,3 3.485,4 3.485,5 297.663,6 3.288,7 15.037,8 461,9 714.37,10 3.785,11 4.061,12 493.292,13 1.837,14 6.344,15 487.372,16 5.115,17 2.749,18 37.233,19 459.65,20 637.15,21 3.849,22 2.178,23 3.251,24 1.268,25 3.241,26 456.048,27 15.006,28 2.235,29 3.638,30 3.638,31 37,32 4.317,33 430,34 220.301,35 55.288,36 72.5,37 0.131,38 1.817,39 1.817,40 102.956,41 3.716,42 4.11,43 11.444,44 4.5,45 5.187,46 5.631,47 154.832,48 2.786,49 1.965,50 4.115,51 3.049,52 3.624,53 62.198,54 4.115,55 4.115,56 46794,57 13.236,58 5.095,59 3.529,60 3.528,61 5.009,62 2.536,63 13.833,64 20291,65 71.229,66 24.185,67 48,68 2.669,69 6.108}
{0 CHEMBL191391,1 2.724,2 2.724,3 3.495,4 3.495,5 274.026,6 3.235,7 13.42,8 443,9 683.36,10 3.734,11 3.938,12 469.047,13 1.744,14 6.238,15 469.724,16 4.83,17 2.387,18 35.233,19 433.61,20 606.75,21 3.669,22 2.163,23 3.246,24 0.945,25 3.079,26 430.937,27 13.611,28 1.781,29 3.584,30 3.584,31 35,32 4.263,33 408,34 208.968,35 52.895,36 68.5,37 0.114,38 1.77,39 1.77,40 98.276,41 3.584,42 4.061,43 11.333,44 4.431,45 5.118,46 5.557,47 142.902,48 2.75,49 1.734,50 4.05,51 3,52 3.574,53 62.198,54 3.535,55 3.535,56 40815,57 13.109,58 4.698,59 3.491,60 3.481,61 5.04,62 2.26,63 13.523,64 17433,65 67.083,66 22.504,67 47,68 2.575,69 5.947}
{0 CHEMBL191579,1 2.625,2 2.625,3 3.456,4 3.456,5 271.859,6 3.235,7 13.061,8 438,9 675.54,10 3.734,11 3.949,12 463.231,13 1.739,14 6.214,15 464.372,16 4.816,17 2.302,18 35.233,19 433.61,20 602.51,21 3.565,22 2.147,23 3.208,24 0.942,25 2.949,26 428.336,27 13.701,28 1.767,29 3.584,30 3.584,31 35,32 4.263,33 406,34 205.968,35 52.287,36 68.5,37 0.098,38 1.663,39 1.663,40 99.078,41 3.589,42 4.04,43 11.229,44 4.419,45 5.106,46 5.541,47 138.493,48 2.645,49 1.681,50 4.032,51 3,52 3.562,53 62.198,54 3.534,55 3.534,56 41019,57 13.069,58 4.464,59 3.487,60 3.476,61 5.084,62 2.104,63 13.033,64 17565,65 66.35,66 22.504,67 46,68 2.622,69 6.186}
{0 CHEMBL192051,1 2.147,2 2.147,3 2.438,4 2.438,5 94.138,6 1,7 6.766,8 193,9 306.98,10 2.927,11 3.006,12 207.067,13 0.091,14 5.553,15 207.178,16 2.575,17 1.909,18 17.167,19 199.23,20 307.4,21 3.15,22 -0.796,23 1.2,24 0.347,25 0.707,26 244.378,27 1.746,28 -0.582,29 2.773,30 2.773,31 15,32 3.434,33 220,34 110.918,35 26.476,36 32.5,38 -0.314,39 -0.314,40 40.915,41 0.007,42 3.224,43 5.21,44 3.401,45 4.078,46 4.875,47 81.509,48 0.673,49 0.677,50 3.345,51 1,52 2.853,54 -1.564,55 -1.564,56 3977,57 12.872,58 3.374,59 2.629,60 2.695,61 4.357,62 -0.316,63 3.482,64 1011,65 25.797,66 9.776,67 22,68 1.859,69 6.592}
{0 CHEMBL192977,1 1.951,2 1.951,3 2.331,4 2.331,5 94.294,6 1.275,7 6.668,8 194,9 308.91,10 2.927,11 2.797,12 207.745,13 0.255,14 5.553,15 208.178,16 2.582,17 1.668,18 17.167,19 199.23,20 307.88,21 2.956,22 -0.796,23 1.097,24 0.458,25 0.83,26 244.238,27 1.573,28 -0.908,29 2.773,30 2.773,31 15,32 3.434,33 220,34 112.085,35 26.781,36 32.5,38 -0.288,39 -0.288,40 40.975,41 0.028,42 3.258,43 5.457,44 3.401,45 4.078,46 4.875,47 82.308,48 0.705,49 0.692,50 3.345,51 1,52 2.925,54 -2,55 -2,56 3975,57 12.91,58 3.316,59 2.738,60 2.784,61 4.357,62 -0.298,63 3.682,64 1013,65 25.913,66 9.776,67 23,68 1.809,69 5.757}
{0 CHEMBL195500,1 2.147,2 2.147,3 2.438,4 2.438,5 94.138,6 1,7 6.766,8 193,9 306.98,10 2.927,11 3.006,12 207.067,13 0.091,14 5.553,15 207.178,16 2.575,17 1.909,18 17.167,19 199.23,20 307.4,21 3.15,22 -0.796,23 1.2,24 0.347,25 0.707,26 244.378,27 1.746,28 -0.582,29 2.773,30 2.773,31 15,32 3.434,33 220,34 110.918,35 26.476,36 32.5,38 -0.314,39 -0.314,40 40.915,41 0.007,42 3.224,43 5.21,44 3.401,45 4.078,46 4.875,47 81.509,48 0.673,49 0.677,50 3.345,51 1,52 2.853,54 -1.564,55 -1.564,56 3977,57 12.872,58 3.374,59 2.629,60 2.695,61 4.357,62 -0.316,63 3.482,64 1011,65 25.797,66 9.776,67 22,68 1.859,69 4}
{0 CHEMBL2021372,1 2.378,2 2.378,3 2.787,4 2.787,5 139.107,6 3,7 8.342,8 263,9 436.76,10 3.157,11 2.886,12 276.484,13 0.764,14 5.948,15 276.967,16 3.345,17 2,18 17.967,19 221.23,20 378.48,21 3.374,22 -0.355,23 2.382,24 1.097,25 2.134,26 281.578,27 2.281,28 0.257,29 3.045,30 3.045,31 20,32 3.714,33 258,34 182.752,35 39.348,36 36.5,38 0.882,39 0.882,40 47.775,41 2.177,42 3.382,43 8.574,44 3.784,45 4.466,46 5.501,47 136.573,48 1.873,49 0.742,50 3.507,51 2.102,52 2.703,54 0.692,55 0.692,56 6546,57 13.759,58 5.285,59 2.554,60 2.531,61 3.902,62 1.002,63 4.245,64 2012,65 35.992,66 8.343,67 26,68 6.099,69 4.26}
{0 CHEMBL2029786,1 2.226,2 2.226,3 2.622,4 2.622,5 143.169,6 2.956,7 8.302,8 250,9 385.14,10 3.199,11 3.482,12 267.06,13 1.119,14 5.824,15 258.214,16 3.039,17 2.09,18 20.967,19 266.37,20 360.11,21 3.224,22 0.5,23 1.794,24 0.764,25 2.682,26 267.982,27 5.784,28 1.256,29 3.091,30 3.091,31 21,32 3.761,33 248,34 118.823,35 32.312,36 42,37 0.037,38 1,39 1,40 59.287,41 2.559,42 3.569,43 6.681,44 3.861,45 4.543,46 5.043,47 84.787,48 2,49 1.091,50 3.504,51 1.345,52 3.189,53 40.616,54 1.806,55 1.806,56 8017,57 12.6,58 3.583,59 3.095,60 3.106,61 4.399,62 1.5,63 6.798,64 3321,65 39.494,66 14.245,67 30,68 1.463,69 5.07}
{0 CHEMBL2029787,1 2.385,2 2.385,3 2.888,4 2.888,5 163.233,6 2.982,7 9.093,8 286,9 442.64,10 3.309,11 3.569,12 307.598,13 1.269,14 5.906,15 298.759,16 3.316,17 2.396,18 23.733,19 296.4,20 420.46,21 3.336,22 0.657,23 2.094,24 0.938,25 2.915,26 314.283,27 6.568,28 1.294,29 3.178,30 3.178,31 23,32 3.85,33 292,34 133.48,35 35.705,36 47,37 0.045,38 1,39 1,40 65.994,41 3.053,42 3.679,43 7.5,44 3.942,45 4.625,46 5.142,47 94.055,48 2,49 1.194,50 3.614,51 1.794,52 3.193,53 56.859,54 1.807,55 1.807,56 11319,57 12.707,58 4.309,59 3.099,60 3.109,61 4.576,62 1.5,63 8.037,64 4379,65 42.517,66 16.168,67 34,68 1.557,69 5.939}
{0 CHEMBL2029788,1 2.351,2 2.351,3 2.813,4 2.813,5 164.449,6 2.975,7 9.105,8 286,9 442.92,10 3.309,11 3.631,12 307.734,13 1.346,14 5.906,15 298.759,16 3.319,17 2.395,18 23.733,19 296.4,20 420.48,21 3.309,22 0.629,23 2.175,24 0.938,25 2.915,26 314.348,27 6.781,28 1.259,29 3.178,30 3.178,31 23,32 3.85,33 292,34 133.48,35 35.63,36 47,37 0.07,38 1.143,39 1.143,40 65.994,41 2.928,42 3.708,43 7.432,44 3.942,45 4.625,46 5.142,47 94.026,48 2.142,49 1.194,50 3.614,51 1.652,52 3.191,53 56.859,54 1.806,55 1.806,56 10935,57 12.709,58 4.275,59 3.097,60 3.107,61 4.767,62 1.697,63 8.011,64 4259,65 42.501,66 16.168,67 34,68 1.587,69 5.499}
{0 CHEMBL2029789,1 2.291,2 2.291,3 2.667,4 2.667,5 166.246,6 2.956,7 9.02,8 287,9 446.05,10 3.309,11 3.699,12 308.452,13 1.452,14 5.906,15 299.759,16 3.325,17 2.382,18 23.733,19 296.4,20 421.06,21 3.268,22 0.639,23 2.097,24 0.965,25 2.917,26 314.154,27 7.567,28 1.264,29 3.178,30 3.178,31 23,32 3.85,33 292,34 134.813,35 35.848,36 47,37 0.07,38 1.19,39 1.19,40 66.095,41 2.793,42 3.762,43 7.468,44 3.942,45 4.625,46 5.142,47 94.534,48 2.193,49 1.199,50 3.614,51 1.794,52 3.189,53 56.859,54 1.806,55 1.806,56 10551,57 12.748,58 4.07,59 3.095,60 3.106,61 4.719,62 1.761,63 8.224,64 4139,65 42.517,66 16.168,67 35,68 1.621,69 5}
{0 CHEMBL2029790,1 2.485,2 2.485,3 2.953,4 2.953,5 175.87,6 2.982,7 9.622,8 321,9 500.33,10 3.362,11 3.663,12 345.298,13 1.84,14 5.964,15 343.093,16 3.583,17 2.396,18 25.248,19 314.39,20 492.49,21 3.441,22 0.917,23 2.256,24 1.049,25 2.915,26 376.385,27 6.64,28 1.295,29 3.219,30 3.219,31 24,32 3.892,33 348,34 145.498,35 37.91,36 50.5,37 0.078,38 1.414,39 1.414,40 69.324,41 3.122,42 3.79,43 7.5,44 3.998,45 4.682,46 5.198,47 100.883,48 2.389,49 1.329,50 3.692,51 1.795,52 3.193,53 65.98,54 1.807,55 1.807,56 14348,57 12.822,58 4.359,59 3.099,60 3.11,61 4.767,62 1.978,63 8.134,64 4824,65 44.396,66 17.087,67 37,68 1.567,69 5.932}
{0 CHEMBL2029791,1 2.485,2 2.485,3 2.953,4 2.953,5 175.87,6 2.982,7 9.622,8 321,9 500.33,10 3.408,11 3.742,12 345.298,13 1.843,14 5.964,15 326.622,16 3.497,17 2.396,18 24.819,19 330.84,20 492.49,21 3.433,22 0.917,23 2.256,24 1.049,25 2.915,26 376.385,27 7.018,28 1.295,29 3.219,30 3.219,31 24,32 3.892,33 348,34 154.171,35 37.91,36 49.333,37 0.078,38 1.414,39 1.414,40 71.633,41 3.18,42 3.881,43 8.297,44 3.998,45 4.682,46 5.198,47 100.883,48 2.351,49 1.172,50 3.758,51 1.795,52 3.297,53 60.36,54 1.807,55 1.807,56 14348,57 12.822,58 4.359,59 3.1,60 3.11,61 4.767,62 1.978,63 8.726,64 4824,65 44.396,66 17.432,67 37,68 1.693,69 6.44}
{0 CHEMBL2029792,1 2.496,2 2.496,3 2.96,4 2.96,5 186.935,6 2.983,7 9.813,8 323,9 504.31,10 3.407,11 3.746,12 349.249,13 1.854,14 5.982,15 340.305,16 3.602,17 2.396,18 26.5,19 326.43,20 481.47,21 3.455,22 1.103,23 2.363,24 1.111,25 2.919,26 360.569,27 8.1,28 1.295,29 3.258,30 3.258,31 25,32 3.932,33 336,34 149.913,35 39.371,36 52,37 0.078,38 1.432,39 1.432,40 72.801,41 3.294,42 3.859,43 8.261,44 4.016,45 4.7,46 5.231,47 103.826,48 2.434,49 1.3,50 3.713,51 2.059,52 3.194,53 73.103,54 1.807,55 1.807,56 14429,57 12.84,58 4.417,59 3.1,60 3.111,61 4.632,62 2.021,63 9.215,64 5365,65 45.559,66 18.097,67 39,68 1.711,69 6.585}
{0 CHEMBL2029793,1 2.631,2 2.631,3 2.901,4 2.901,5 197.186,6 3.198,7 10.705,8 314,9 486.59,10 3.456,11 3.737,12 334.544,13 1.892,14 6.038,15 327.668,16 3.918,17 2.553,18 27.033,19 336.47,20 453.08,21 3.618,22 1.198,23 2.457,24 1.014,25 2.982,26 334.496,27 8.559,28 1.5,29 3.332,30 3.332,31 27,32 4.007,33 312,34 158.477,35 41.509,36 53,37 0.094,38 1.448,39 1.448,40 74.892,41 3.239,42 3.785,43 8.314,44 4.052,45 4.736,46 5.313,47 111.602,48 2.444,49 1.333,50 3.724,51 2.088,52 3.528,53 56.859,54 2.275,55 2.275,56 16040,57 12.802,58 4.632,59 3.552,60 3.541,61 4.768,62 2.021,63 9.126,64 7384,65 48.532,66 17.61,67 37,68 1.812,69 6.538}
{0 CHEMBL2029794,1 2.647,2 2.647,3 2.959,4 2.959,5 211.17,6 3.198,7 11.235,8 349,9 544.29,10 3.542,11 3.938,12 372.246,13 2.09,14 6.09,15 355.531,16 4.103,17 2.677,18 28.119,19 370.91,20 525.11,21 3.637,22 1.254,23 2.526,24 1.187,25 2.982,26 396.598,27 9.212,28 1.979,29 3.367,30 3.367,31 28,32 4.043,33 368,34 179.168,35 43.602,36 55.333,37 0.127,38 1.514,39 1.514,40 80.532,41 3.345,42 3.968,43 9.126,44 4.103,45 4.787,46 5.361,47 118.506,48 2.452,49 1.312,50 3.854,51 2.252,52 3.543,53 60.36,54 3.62,55 3.62,56 19405,57 12.907,58 4.634,59 3.556,60 3.544,61 4.931,62 2.021,63 9.721,64 7907,65 50.463,66 18.857,67 40,68 1.984,69 6.959}
{0 CHEMBL2029795,1 2.566,2 2.566,3 2.968,4 2.968,5 224.184,6 3.198,7 11.6,8 357,9 555.55,10 3.576,11 4.033,12 379.492,13 1.946,14 6.092,15 364.44,16 4.257,17 2.661,18 29.419,19 384.94,20 532.59,21 3.525,22 1.498,23 2.796,24 1.104,25 2.977,26 400.753,27 10.577,28 1.948,29 3.401,30 3.401,31 29,32 4.078,33 372,34 183.5,35 44.552,36 57.333,37 0.156,38 1.482,39 1.482,40 83.44,41 3.416,42 4.008,43 9.883,44 4.119,45 4.804,46 5.389,47 121.848,48 2.441,49 1.407,50 3.948,51 2.398,52 3.543,53 60.36,54 3.599,55 3.599,56 20552,57 12.889,58 4.633,59 3.552,60 3.54,61 4.902,62 2.014,63 10.341,64 8620,65 52.074,66 19.829,67 41,68 2.193,69 7}
{0 CHEMBL2029796,1 2.558,2 2.558,3 2.967,4 2.967,5 234.627,6 3.198,7 11.954,8 377,9 587.63,10 3.621,11 4.057,12 401.27,13 2.09,14 6.108,15 388.077,16 4.389,17 2.685,18 30.886,19 400.94,20 577.71,21 3.512,22 1.545,23 2.896,24 1.111,25 2.977,26 437.9,27 10.721,28 1.949,29 3.434,30 3.434,31 30,32 4.111,33 408,34 190.158,35 46.216,36 60.333,37 0.161,38 1.542,39 1.542,40 87.44,41 3.466,42 4.053,43 10.133,44 4.135,45 4.82,46 5.416,47 124.576,48 2.449,49 1.468,50 3.981,51 2.4,52 3.542,53 60.36,54 3.603,55 3.603,56 25244,57 12.889,58 4.633,59 3.543,60 3.533,61 4.945,62 2.014,63 11.072,64 9588,65 53.436,66 20.765,67 44,68 2.461,69 6.73}
{0 CHEMBL2029797,1 2.557,2 2.557,3 3.373,4 3.373,5 219.897,6 3.198,7 11.424,8 364,9 560.2,10 3.512,11 3.804,12 387.068,13 1.851,14 6.137,15 379.487,16 4.151,17 2.4,18 27.833,19 358.47,20 515.19,21 3.512,22 1.48,23 2.801,24 0.889,25 2.991,26 377.735,27 8.668,28 1.953,29 3.401,30 3.401,31 29,32 4.078,33 352,34 166.809,35 44.128,36 57,37 0.128,38 1.483,39 1.483,40 80.801,41 3.346,42 3.856,43 9.314,44 4.22,45 4.905,46 5.371,47 117.448,48 2.473,49 1.373,50 3.834,51 2.313,52 3.527,53 62.103,54 3.023,55 3.023,56 22290,57 12.875,58 4.631,59 3.55,60 3.539,61 4.671,62 2.082,63 9.265,64 9023,65 55.56,66 18.794,67 41,68 1.957,69 7.377}
{0 CHEMBL2029798,1 2.557,2 2.557,3 3.373,4 3.373,5 219.897,6 3.198,7 11.424,8 378,9 582.9,10 3.519,11 3.809,12 402.367,13 1.851,14 6.137,15 395.951,16 4.144,17 2.4,18 27.933,19 359.46,20 537.59,21 3.496,22 1.48,23 2.801,24 0.889,25 2.991,26 394.883,27 8.054,28 1.953,29 3.401,30 3.401,31 29,32 4.078,33 368,34 168.475,35 44.128,36 57.5,37 0.128,38 1.483,39 1.483,40 81.255,41 3.355,42 3.86,43 9.314,44 4.22,45 4.905,46 5.371,47 117.448,48 2.469,49 1.342,50 3.843,51 2.313,52 3.527,53 65.907,54 3.023,55 3.023,56 23462,57 12.875,58 4.631,59 3.549,60 3.538,61 4.97,62 2.082,63 8.656,64 9023,65 55.56,66 18.731,67 41,68 1.887,69 6.19}
{0 CHEMBL2029799,1 2.557,2 2.557,3 3.373,4 3.373,5 219.897,6 3.198,7 11.424,8 376,9 578.8,10 3.519,11 3.81,12 400.71,13 1.851,14 6.137,15 393.599,16 4.143,17 2.4,18 27.933,19 359.46,20 536.59,21 3.507,22 1.48,23 2.801,24 0.889,25 2.991,26 394.975,27 8.155,28 1.953,29 3.401,30 3.401,31 29,32 4.078,33 368,34 168.363,35 44.128,36 57.5,37 0.128,38 1.483,39 1.483,40 81.301,41 3.349,42 3.856,43 9.314,44 4.22,45 4.905,46 5.371,47 117.448,48 2.46,49 1.346,50 3.838,51 2.313,52 3.526,53 80.198,54 3.023,55 3.023,56 23610,57 12.875,58 4.631,59 3.547,60 3.537,61 4.913,62 2.082,63 8.908,64 9023,65 55.56,66 18.731,67 41,68 1.89,69 6.32}
{0 CHEMBL2029800,1 2.557,2 2.557,3 3.373,4 3.373,5 219.897,6 3.198,7 11.424,8 376,9 578.32,10 3.519,11 3.806,12 400.413,13 1.851,14 6.137,15 393.599,16 4.141,17 2.4,18 27.933,19 359.46,20 536.55,21 3.509,22 1.48,23 2.801,24 0.889,25 2.991,26 394.844,27 8.407,28 1.953,29 3.401,30 3.401,31 29,32 4.078,33 368,34 168.142,35 44.128,36 57.5,37 0.128,38 1.483,39 1.483,40 81.301,41 3.347,42 3.859,43 9.314,44 4.22,45 4.905,46 5.371,47 117.448,48 2.453,49 1.34,50 3.838,51 2.313,52 3.526,53 80.198,54 3.023,55 3.023,56 23758,57 12.875,58 4.631,59 3.547,60 3.537,61 4.804,62 2.082,63 9.109,64 9023,65 55.56,66 18.731,67 41,68 1.895,69 6.26}
{0 CHEMBL2029801,1 2.385,2 2.385,3 2.888,4 2.888,5 163.233,6 2.982,7 9.093,8 276,9 425.76,10 3.3,11 3.567,12 295.297,13 1.228,14 5.906,15 285.622,16 3.32,17 2.395,18 23.667,19 295.42,20 395.82,21 3.353,22 0.657,23 2.094,24 0.938,25 2.915,26 293.378,27 6.53,28 1.294,29 3.178,30 3.178,31 23,32 3.85,33 272,34 132.155,35 35.705,36 46.5,37 0.045,38 1,39 1,40 65.436,41 3.036,42 3.679,43 7.5,44 3.942,45 4.625,46 5.142,47 94.055,48 2,49 1.239,50 3.608,51 1.794,52 3.196,53 43.373,54 1.807,55 1.807,56 10493,57 12.707,58 4.309,59 3.111,60 3.118,61 4.629,62 1.5,63 8.202,64 4379,65 42.517,66 16.168,67 34,68 1.589,69 6.337}
{0 CHEMBL2029802,1 2.558,2 2.558,3 2.967,4 2.967,5 234.627,6 3.198,7 11.954,8 363,9 564.33,10 3.615,11 4.058,12 386.74,13 2.09,14 6.108,15 369.685,16 4.378,17 2.651,18 30.819,19 399.96,20 551.27,21 3.525,22 1.545,23 2.896,24 1.111,25 2.977,26 417.177,27 10.702,28 1.949,29 3.434,30 3.434,31 30,32 4.111,33 388,34 187.681,35 46.216,36 59.833,37 0.161,38 1.542,39 1.542,40 87.032,41 3.455,42 4.055,43 10.133,44 4.135,45 4.82,46 5.416,47 124.576,48 2.457,49 1.586,50 3.972,51 2.4,52 3.542,53 46.873,54 3.603,55 3.603,56 24280,57 12.889,58 4.633,59 3.543,60 3.533,61 4.986,62 2.014,63 11.648,64 9588,65 53.436,66 20.765,67 44,68 2.584,69 6.759}
{0 CHEMBL2029803,1 2.573,2 2.573,3 2.992,4 2.992,5 211.984,6 3.129,7 10.977,8 328,9 509.56,10 3.504,11 3.793,12 349.262,13 1.941,14 6.041,15 342.667,16 4.027,17 2.398,18 28.433,19 351.49,20 479.48,21 3.539,22 1.353,23 2.576,24 1.014,25 2.957,26 354.619,27 8.972,28 1.5,29 3.367,30 3.367,31 28,32 4.043,33 332,34 165.422,35 43.102,36 55.5,37 0.115,38 1.458,39 1.458,40 78.66,41 3.384,42 3.875,43 9.164,44 4.069,45 4.754,46 5.342,47 115.796,48 2.431,49 1.527,50 3.828,51 2.263,52 3.492,53 46.497,54 2.651,55 2.651,56 18470,57 12.808,58 4.528,59 3.447,60 3.453,61 4.702,62 1.897,63 10.885,64 7874,65 50.312,66 18.542,67 41,68 2.194,69 5.69}
{0 CHEMBL2029804,1 2.557,2 2.557,3 3.373,4 3.373,5 219.897,6 3.198,7 11.424,8 360,9 552.64,10 3.512,11 3.807,12 383.822,13 1.824,14 6.137,15 372.58,16 4.136,17 2.398,18 27.867,19 358.48,20 509.27,21 3.526,22 1.48,23 2.801,24 0.889,25 2.991,26 373.913,27 8.389,28 1.953,29 3.401,30 3.401,31 29,32 4.078,33 348,34 166.153,35 44.128,36 57,37 0.128,38 1.483,39 1.483,40 80.892,41 3.334,42 3.858,43 9.314,44 4.22,45 4.905,46 5.371,47 117.448,48 2.46,49 1.455,50 3.828,51 2.313,52 3.527,53 82.235,54 3.023,55 3.023,56 22826,57 12.875,58 4.631,59 3.548,60 3.538,61 4.849,62 2.082,63 9.515,64 9023,65 55.56,66 18.731,67 41,68 1.969,69 5.83}
{0 CHEMBL2029805,1 2.612,2 2.612,3 3.477,4 3.477,5 231.713,6 3.235,7 12.058,8 388,9 597.29,10 3.553,11 3.841,12 413.673,13 2.09,14 6.183,15 405.951,16 4.294,17 2.56,18 29.233,19 373.49,20 549.96,21 3.582,22 1.48,23 2.874,24 1,25 3.194,26 403.559,27 8.965,28 2.005,29 3.434,30 3.434,31 30,32 4.111,33 376,34 175.308,35 46.244,36 59.5,37 0.161,38 1.81,39 1.81,40 83.618,41 3.402,42 3.915,43 9.634,44 4.263,45 4.949,46 5.416,47 123.772,48 2.776,49 1.433,50 3.886,51 2.322,52 3.527,53 73.907,54 3.806,55 3.806,56 25177,57 12.945,58 4.673,59 3.548,60 3.538,61 5.001,62 2.161,63 9.853,64 9920,65 57.392,66 19.703,67 43,68 1.978,69 6.35}
{0 CHEMBL2029806,1 2.672,2 2.672,3 3.478,4 3.478,5 239.575,6 3.419,7 12.119,8 398,9 613.87,10 3.577,11 3.866,12 422.874,13 2.126,14 6.21,15 415.951,16 4.443,17 2.641,18 28.633,19 371.47,20 560.54,21 3.636,22 1.55,23 2.908,24 0.903,25 3.231,26 408.833,27 8.944,28 2.005,29 3.466,30 3.466,31 31,32 4.143,33 382,34 185.475,35 46.949,36 59.5,37 0.165,38 1.806,39 1.806,40 84.589,41 3.386,42 3.923,43 10.38,44 4.29,45 4.977,46 5.493,47 128.64,48 2.772,49 1.336,50 3.889,51 2.618,52 3.635,53 73.907,54 3.804,55 3.804,56 26596,57 12.981,58 5.036,59 3.595,60 3.601,61 5.069,62 2.315,63 9.468,64 10773,65 58.372,66 18.318,67 43,68 2.11,69 6.9}
{0 CHEMBL2029807,1 2.607,2 2.607,3 3.477,4 3.477,5 220.639,6 3.232,7 11.229,8 382,9 587.96,10 3.519,11 3.793,12 406.187,13 1.808,14 6.143,15 399.951,16 4.135,17 2.559,18 27.933,19 359.46,20 541.26,21 3.578,22 1.476,23 2.794,24 0.889,25 2.988,26 396.606,27 8.386,28 1.734,29 3.401,30 3.401,31 29,32 4.078,33 370,34 169.308,35 44.476,36 57.5,37 0.153,38 1.44,39 1.44,40 81.483,41 3.315,42 3.883,43 9.448,44 4.234,45 4.92,46 5.371,47 117.424,48 2.434,49 1.273,50 3.84,51 2.196,52 3.448,53 73.907,54 2.747,55 2.747,56 23586,57 12.922,58 4.668,59 3.479,60 3.463,61 5.095,62 2.005,63 9.276,64 8967,65 55.448,66 18.731,67 42,68 1.893,69 6.4}
{0 CHEMBL2029808,1 2.699,2 2.699,3 3.478,4 3.478,5 228.761,6 3.443,7 11.766,8 394,9 608.12,10 3.544,11 3.818,12 418.713,13 2.126,14 6.208,15 411.951,16 4.297,17 2.7,18 27.333,19 357.44,20 554.78,21 3.658,22 1.476,23 2.884,24 0.886,25 3.231,26 404.671,27 8.239,28 2.005,29 3.434,30 3.434,31 30,32 4.111,33 378,34 181.475,35 46.27,36 57.5,37 0.153,38 1.805,39 1.805,40 81.589,41 3.297,42 3.892,43 9.564,44 4.277,45 4.963,46 5.434,47 127.434,48 2.771,49 1.222,50 3.84,51 2.326,52 3.631,53 73.907,54 3.804,55 3.804,56 24904,57 12.992,58 5.054,59 3.59,60 3.597,61 4.985,62 2.329,63 8.83,64 9755,65 57.714,66 17.366,67 42,68 1.981,69 6.08}
{0 CHEMBL2029809,1 2.636,2 2.636,3 3.484,4 3.484,5 221.592,6 2.994,7 11.113,8 383,9 590.78,10 3.519,11 3.816,12 406.804,13 1.627,14 6.143,15 400.951,16 4.138,17 2.55,18 27.933,19 359.46,20 541.82,21 3.613,22 1.555,23 2.797,24 0.889,25 2.976,26 396.355,27 8.43,28 1.912,29 3.401,30 3.401,31 29,32 4.078,33 370,34 170.862,35 44.669,36 57.5,37 0.161,38 1.439,39 1.439,40 81.584,41 3.302,42 3.882,43 9.662,44 4.234,45 4.92,46 5.371,47 118.104,48 2.429,49 1.283,50 3.84,51 2.196,52 3.448,53 73.907,54 2.965,55 2.965,56 23298,57 12.949,58 4.338,59 3.479,60 3.462,61 5.038,62 2.013,63 9.435,64 8879,65 55.58,66 18.731,67 43,68 1.922,69 6.46}
{0 CHEMBL2029810,1 2.641,2 2.641,3 3.484,4 3.484,5 232.675,6 3.198,7 11.942,8 389,9 600.11,10 3.553,11 3.863,12 414.291,13 1.902,14 6.183,15 406.951,16 4.297,17 2.55,18 29.233,19 373.49,20 550.52,21 3.618,22 1.556,23 2.879,24 1,25 2.993,26 403.308,27 9.011,28 2.013,29 3.434,30 3.434,31 30,32 4.111,33 376,34 176.862,35 46.436,36 59.5,37 0.169,38 1.498,39 1.498,40 83.719,41 3.39,42 3.914,43 9.848,44 4.263,45 4.949,46 5.416,47 124.411,48 2.469,49 1.443,50 3.886,51 2.322,52 3.527,53 73.907,54 3.586,55 3.586,56 24881,57 12.972,58 4.632,59 3.548,60 3.538,61 4.947,62 2.084,63 10.01,64 9828,65 57.501,66 19.703,67 44,68 2.007,69 6.561}
{0 CHEMBL2029811,1 2.739,2 2.739,3 3.485,4 3.485,5 229.72,6 3.442,7 11.65,8 395,9 610.94,10 3.544,11 3.841,12 419.33,13 1.902,14 6.208,15 412.951,16 4.3,17 2.703,18 27.333,19 357.44,20 555.34,21 3.719,22 1.555,23 2.888,24 0.886,25 2.993,26 404.42,27 8.277,28 2.013,29 3.434,30 3.434,31 30,32 4.111,33 378,34 183.029,35 46.461,36 57.5,37 0.162,38 1.498,39 1.498,40 81.69,41 3.284,42 3.891,43 9.777,44 4.277,45 4.963,46 5.434,47 128.118,48 2.468,49 1.232,50 3.84,51 2.327,52 3.63,53 73.907,54 3.585,55 3.585,56 24608,57 13.018,58 5.055,59 3.59,60 3.597,61 4.926,62 2.084,63 8.994,64 9663,65 57.846,66 17.366,67 43,68 2.01,69 5.97}
{0 CHEMBL2029812,1 2.649,2 2.649,3 3.501,4 3.501,5 233.214,6 3.394,7 11.747,8 395,9 609.72,10 3.553,11 3.859,12 420.062,13 1.88,14 6.189,15 413.303,16 4.29,17 2.634,18 29.233,19 373.49,20 555.23,21 3.626,22 1.667,23 2.825,24 0.944,25 2.989,26 405.11,27 9.405,28 1.931,29 3.434,30 3.434,31 30,32 4.111,33 378,34 178.029,35 46.531,36 59.5,37 0.186,38 1.475,39 1.475,40 83.901,41 3.39,42 3.931,43 9.982,44 4.277,45 4.963,46 5.416,47 124.682,48 2.461,49 1.379,50 3.887,51 2.359,52 3.449,53 67.616,54 3.594,55 3.594,56 24813,57 13.014,58 4.917,59 3.48,60 3.463,61 4.947,62 2.032,63 10.286,64 9816,65 57.554,66 19.703,67 45,68 2.014,69 6.86}
{0 CHEMBL2029813,1 2.654,2 2.654,3 3.501,4 3.501,5 244.419,6 3.394,7 12.576,8 401,9 619.05,10 3.586,11 3.903,12 427.549,13 2.09,14 6.228,15 419.303,16 4.45,17 2.634,18 30.533,19 387.52,20 563.93,21 3.63,22 1.667,23 2.971,24 1.056,25 3.197,26 412.064,27 9.968,28 2.032,29 3.466,30 3.466,31 31,32 4.143,33 384,34 184.029,35 48.364,36 61.5,37 0.194,38 1.885,39 1.885,40 86.036,41 3.471,42 3.961,43 10.168,44 4.304,45 4.99,46 5.46,47 130.969,48 2.852,49 1.537,50 3.931,51 2.359,52 3.528,53 67.616,54 3.884,55 3.884,56 26460,57 13.035,58 4.917,59 3.55,60 3.539,61 4.87,62 2.162,63 10.847,64 10829,65 59.467,66 20.676,67 46,68 2.099,69 7}
{0 CHEMBL2029814,1 2.746,2 2.746,3 3.502,4 3.502,5 241.412,6 3.446,7 12.284,8 407,9 629.88,10 3.577,11 3.882,12 432.588,13 2.162,14 6.251,15 425.303,16 4.452,17 2.707,18 28.633,19 371.47,20 568.75,21 3.728,22 1.667,23 2.985,24 0.941,25 3.394,26 413.176,27 9.315,28 2.032,29 3.466,30 3.466,31 31,32 4.143,33 386,34 190.195,35 48.441,36 59.5,37 0.186,38 1.873,39 1.873,40 84.007,41 3.373,42 3.939,43 10.098,44 4.317,45 5.004,46 5.476,47 134.695,48 2.836,49 1.328,50 3.887,51 2.361,52 3.634,53 67.616,54 3.882,55 3.882,56 26181,57 13.078,58 5.069,59 3.593,60 3.6,61 4.834,62 2.342,63 9.879,64 10658,65 59.82,66 18.318,67 45,68 2.102,69 6.58}
{0 CHEMBL2029815,1 2.624,2 2.624,3 3.602,4 3.602,5 235.488,6 3.269,7 11.759,8 417,9 645.68,10 3.601,11 4.027,12 443.889,13 1.853,14 6.189,15 427.814,16 4.323,17 2.708,18 29.019,19 393.9,20 613.29,21 3.586,22 1.602,23 2.832,24 1.056,25 2.988,26 458.708,27 8.999,28 1.95,29 3.434,30 3.434,31 30,32 4.111,33 426,34 189.999,35 46.558,36 59.833,37 0.169,38 1.44,39 1.44,40 87.122,41 3.437,42 4.05,43 10.267,44 4.277,45 4.963,46 5.416,47 124.581,48 2.434,49 1.249,50 3.956,51 2.309,52 3.468,53 77.408,54 3.569,55 3.569,56 27435,57 13.016,58 4.747,59 3.482,60 3.464,61 5.262,62 2.014,63 9.65,64 9516,65 57.502,66 19.981,67 45,68 2.088,69 6.78}
{0 CHEMBL2029816,1 2.664,2 2.664,3 3.595,4 3.595,5 235.799,6 3.257,7 11.768,8 417,9 645.19,10 3.601,11 4.031,12 443.767,13 2.039,14 6.189,15 427.814,16 4.325,17 2.563,18 29.019,19 393.9,20 613.25,21 3.614,22 1.551,23 2.833,24 1.139,25 3.097,26 458.659,27 8.751,28 1.84,29 3.434,30 3.434,31 30,32 4.111,33 426,34 189.018,35 46.545,36 59.833,37 0.153,38 1.647,39 1.647,40 87.122,41 3.62,42 4.115,43 10.177,44 4.277,45 4.963,46 5.416,47 124.181,48 2.584,49 1.244,50 3.956,51 2.302,52 3.453,53 77.408,54 3.237,55 3.237,56 27307,57 13.018,58 4.731,59 3.48,60 3.463,61 5.262,62 2.181,63 9.72,64 9496,65 57.285,66 19.981,67 45,68 2.081,69 6.03}
{0 CHEMBL2029817,1 2.706,2 2.706,3 3.667,4 3.667,5 236.497,6 2.995,7 11.643,8 418,9 648.5,10 3.601,11 4.045,12 444.507,13 1.843,14 6.189,15 428.814,16 4.326,17 2.725,18 29.019,19 393.9,20 613.85,21 3.665,22 1.66,23 2.833,24 1.167,25 2.979,26 458.457,27 8.981,28 1.997,29 3.434,30 3.434,31 30,32 4.111,33 426,34 191.553,35 46.747,36 59.833,37 0.178,38 1.44,39 1.44,40 87.223,41 3.41,42 4.049,43 10.481,44 4.277,45 4.963,46 5.416,47 124.978,48 2.43,49 1.259,50 3.956,51 2.311,52 3.468,53 77.408,54 3.419,55 3.419,56 27115,57 13.041,58 4.412,59 3.482,60 3.464,61 5.22,62 2.015,63 9.816,64 9424,65 57.49,66 19.981,67 46,68 2.109,69 7}
{0 CHEMBL2029818,1 2.751,2 2.751,3 3.668,4 3.668,5 244.745,6 3.443,7 12.18,8 430,9 668.66,10 3.623,11 4.065,12 457.033,13 2.121,14 6.251,15 440.814,16 4.489,17 2.751,18 28.419,19 391.88,20 627.37,21 3.723,22 1.66,23 2.968,24 1.163,25 2.995,26 466.523,27 8.792,28 2.015,29 3.466,30 3.466,31 31,32 4.143,33 434,34 203.72,35 48.643,36 59.833,37 0.182,38 1.577,39 1.577,40 87.329,41 3.394,42 4.057,43 10.597,44 4.317,45 5.004,46 5.476,47 134.994,48 2.491,49 1.208,50 3.956,51 2.416,52 3.694,53 77.408,54 3.699,55 3.699,56 28567,57 13.103,58 5.084,59 3.6,60 3.605,61 5.116,62 2.111,63 9.206,64 10242,65 59.756,66 18.59,67 46,68 2.197,69 6.638}
{0 CHEMBL2029819,1 2.748,2 2.748,3 3.709,4 3.709,5 248.388,6 3.429,7 12.277,8 430,9 667.44,10 3.632,11 4.08,12 457.765,13 2.026,14 6.233,15 441.166,16 4.479,17 2.736,18 30.319,19 407.93,20 627.26,21 3.702,22 1.744,23 2.848,24 1.222,25 2.989,26 467.212,27 10.096,28 2.001,29 3.466,30 3.466,31 31,32 4.143,33 434,34 198.72,35 48.64,36 61.833,37 0.202,38 1.526,39 1.526,40 89.541,41 3.567,42 4.091,43 10.801,44 4.317,45 5.004,46 5.46,47 131.376,48 2.471,49 1.355,50 3.999,51 2.383,52 3.468,53 71.117,54 3.693,55 3.693,56 28748,57 13.1,58 4.954,59 3.482,60 3.465,61 5.118,62 2.035,63 10.683,64 10389,65 59.371,66 20.955,67 48,68 2.202,69 7.523}
{0 CHEMBL2029820,1 2.779,2 2.779,3 3.709,4 3.709,5 256.706,6 3.448,7 12.813,8 442,9 687.6,10 3.654,11 4.098,12 470.291,13 2.162,14 6.292,15 453.166,16 4.641,17 2.759,18 29.719,19 405.91,20 640.78,21 3.747,22 1.744,23 3.041,24 1.219,25 3.428,26 475.278,27 9.983,28 2.035,29 3.497,30 3.497,31 32,32 4.174,33 442,34 210.886,35 50.645,36 61.833,37 0.206,38 1.881,39 1.881,40 89.646,41 3.552,42 4.098,43 10.917,44 4.357,45 5.043,46 5.517,47 141.388,48 2.843,49 1.304,50 3.998,51 2.44,52 3.695,53 71.117,54 4.084,55 4.084,56 30258,57 13.159,58 5.088,59 3.603,60 3.609,61 5.012,62 2.345,63 10.116,64 11265,65 61.637,66 19.546,67 48,68 2.29,69 7.194}
{0 CHEMBL2029821,1 2.624,2 2.624,3 3.602,4 3.602,5 235.488,6 3.269,7 11.759,8 417,9 645.68,10 3.563,11 3.922,12 443.889,13 1.847,14 6.189,15 444.285,16 4.423,17 2.703,18 29.448,19 377.45,20 613.29,21 3.587,22 1.602,23 2.832,24 1.056,25 2.988,26 458.708,27 8.536,28 1.95,29 3.434,30 3.434,31 30,32 4.111,33 426,34 181.326,35 46.558,36 61,37 0.169,38 1.44,39 1.44,40 84.813,41 3.381,42 3.974,43 9.448,44 4.277,45 4.963,46 5.416,47 124.581,48 2.435,49 1.425,50 3.902,51 2.309,52 3.451,53 83.028,54 3.569,55 3.569,56 27435,57 13.016,58 4.747,59 3.479,60 3.463,61 5.262,62 2.014,63 9.372,64 9516,65 57.502,66 19.639,67 45,68 1.917,69 6.5}
{0 CHEMBL2029822,1 2.664,2 2.664,3 3.595,4 3.595,5 235.799,6 3.257,7 11.768,8 417,9 645.19,10 3.563,11 3.925,12 443.767,13 2.037,14 6.189,15 444.285,16 4.431,17 2.563,18 29.448,19 377.45,20 613.25,21 3.616,22 1.551,23 2.833,24 1.139,25 3.097,26 458.659,27 8.46,28 1.84,29 3.434,30 3.434,31 30,32 4.111,33 426,34 180.8,35 46.545,36 61,37 0.153,38 1.647,39 1.647,40 84.813,41 3.485,42 4.011,43 9.448,44 4.277,45 4.963,46 5.416,47 124.181,48 2.611,49 1.454,50 3.902,51 2.302,52 3.449,53 83.028,54 3.237,55 3.237,56 27307,57 13.018,58 4.731,59 3.479,60 3.463,61 5.262,62 2.181,63 9.39,64 9496,65 57.285,66 19.639,67 45,68 1.912,69 6.409}
{0 CHEMBL2029823,1 2.714,2 2.714,3 3.702,4 3.702,5 248.065,6 3.279,7 12.404,8 429,9 664.87,10 3.595,11 3.962,12 457.282,13 2.147,14 6.233,15 456.637,16 4.578,17 2.736,18 30.748,19 391.48,20 626.72,21 3.679,22 1.603,23 2.842,24 1.111,25 3.232,26 467.528,27 9.863,28 2.013,29 3.466,30 3.466,31 31,32 4.143,33 434,34 188.492,35 48.423,36 63,37 0.202,38 1.879,39 1.879,40 87.13,41 3.446,42 4.039,43 9.679,44 4.317,45 5.004,46 5.46,47 130.896,48 2.84,49 1.522,50 3.947,51 2.382,52 3.452,53 76.737,54 3.901,55 3.901,56 28908,57 13.078,58 4.851,59 3.48,60 3.464,61 5.001,62 2.425,63 10.172,64 10389,65 59.338,66 20.613,67 47,68 1.98,69 6.429}
{0 CHEMBL2063423,1 2.528,2 2.528,3 3.423,4 3.423,5 185.009,6 2.89,7 9.669,8 360,9 562.29,10 3.385,11 3.687,12 381.118,13 1.518,14 6.032,15 382.851,16 3.697,17 2.53,18 22.8,19 295.32,20 506.02,21 3.475,22 0.971,23 2.668,24 0.858,25 2.811,26 369.548,27 5.468,28 1.595,29 3.258,30 3.258,31 25,32 3.932,33 344,34 169.074,35 40.112,36 48.5,37 0.029,38 1.35,39 1.35,40 67.925,41 2.97,42 3.737,43 8.516,44 4.111,45 4.796,46 5.293,47 115.751,48 2.345,49 0.952,50 3.725,51 2,52 3.233,53 84.529,54 2.704,55 2.704,56 14476,57 13.175,58 4.034,59 3.032,60 3.073,61 4.936,62 1.894,63 5.903,64 4906,65 48.266,66 13.286,67 37,68 1.922,69 4.523}
{0 CHEMBL2111822,1 2.794,2 2.794,3 3.419,4 3.419,5 176.4,6 3.051,7 11.045,8 349,9 540.13,10 3.601,11 3.746,12 377.671,13 1.357,14 6.071,15 342.903,16 4.258,17 2.803,18 27.067,19 341.42,20 542.78,21 3.791,22 0.639,23 2.406,24 1.056,25 2.659,26 430.305,27 8.006,28 1.569,29 3.219,30 3.219,31 24,32 3.892,33 386,34 194.75,35 39.493,36 52.5,37 0.124,38 1.302,39 1.302,40 75.823,41 3.688,42 3.804,43 8.469,44 4.069,45 4.754,46 5.283,47 117.494,48 2.301,49 1.242,50 3.852,51 2,52 3.461,53 4.736,54 2.551,55 2.551,56 19438,57 13.373,58 4.522,59 3.337,60 3.344,61 4.993,62 1.668,63 10.193,64 4865,65 46.282,66 17.765,67 36,68 2.199,69 6.721}
{0 CHEMBL2112574,1 2.42,2 2.42,3 2.461,4 2.461,5 125.69,6 2.37,7 8.119,8 203,9 317.01,10 3.15,11 3.535,12 217.276,13 0.626,14 5.613,15 217.178,16 3.146,17 2.133,18 22.367,19 255.35,20 325.46,21 3.42,23 1.764,24 0.681,25 2,26 258.732,27 6.543,28 -0.067,29 2.996,30 2.996,31 19,32 3.664,33 234,34 120.918,35 30.719,36 40.5,38 1,39 1,40 53.249,41 2.305,42 3.483,43 6.08,44 3.497,45 4.174,46 5.017,47 87.063,48 2,49 1.081,50 3.493,51 1.4,52 3.014,54 -0.188,55 -0.188,56 6664,57 12.684,58 3.633,59 2.945,60 2.956,61 4.375,62 1,63 7.548,64 2382,65 30.685,66 13.66,67 27,68 2.186,69 5.959}
{0 CHEMBL2112579,1 1.706,2 1.706,3 2.114,4 2.114,5 74.758,6 0.857,7 5.764,8 171,9 267.73,10 2.814,11 2.778,12 183.906,13 0.013,14 5.366,15 185.178,16 2.225,17 0.648,18 16.467,19 187.22,20 283.12,21 2.715,22 -0.929,23 0.638,24 0.333,25 0.452,26 229.819,27 1.614,28 -1.245,29 2.639,30 2.639,31 13,32 3.296,33 206,34 88.918,35 22.9,36 30.5,38 -0.76,39 -0.76,40 38.143,41 0.028,42 3.074,43 4.388,44 3.219,45 3.892,46 4.673,47 63.73,48 0.241,49 0.575,50 3.144,52 2.988,54 -2,55 -2,56 3412,57 12.598,58 2.599,59 2.677,60 2.759,61 4.21,62 -0.764,63 3.621,64 774,65 21.775,66 10.316,67 20,68 0.645,69 5.187}
{0 CHEMBL2112580,1 2.789,2 2.789,3 3.083,4 3.083,5 186.538,6 3.088,7 10.534,8 316,9 494.56,10 3.393,11 3.637,12 337.947,13 1.277,14 6.056,15 332.995,16 3.956,17 2.349,18 25.967,19 316.39,20 470.41,21 3.786,22 0.688,23 2.447,24 0.795,25 2.725,26 358.108,27 8.152,28 1.599,29 3.258,30 3.258,31 25,32 3.932,33 328,34 165.749,35 41.488,36 51,37 0.037,38 1.357,39 1.357,40 68.271,41 3.419,42 3.734,43 8.566,44 4.115,45 4.8,46 5.313,47 121.201,48 2.36,49 1.347,50 3.759,51 2,52 3.349,53 7.658,54 2.799,55 2.799,56 15687,57 13.211,58 4.787,59 3.27,60 3.286,61 5.037,62 1.8,63 9.845,64 5163,65 48.555,66 16.029,67 38,68 2.088,69 5.854}
{0 CHEMBL2112581,1 2.519,2 2.519,3 3.079,4 3.079,5 123.703,6 2.564,7 8.1,8 250,9 388.02,10 3.265,11 3.45,12 268.876,13 0.618,14 5.717,15 254.236,16 3.099,17 2.202,18 20.833,19 269.35,20 400.45,21 3.484,22 0.211,23 2,24 0.698,25 2.118,26 316.447,27 5.523,28 0.501,29 2.996,30 2.996,31 19,32 3.664,33 288,34 135.951,35 30.353,36 40.5,38 0.618,39 0.618,40 58.249,41 2.483,42 3.449,43 6.726,44 3.695,45 4.376,46 5.017,47 87.485,48 1.51,49 0.966,50 3.566,51 1,52 3.12,53 3.186,54 1.059,55 1.059,56 9532,57 12.783,58 3.613,59 2.926,60 2.926,61 4.741,62 0.927,63 7.677,64 2499,65 34.296,66 13.496,67 25,68 1.465,69 6}
{0 CHEMBL2112582,1 2.498,2 2.498,3 3.079,4 3.079,5 132.714,6 2.642,7 8.453,8 241,9 372.57,10 3.178,11 3.431,12 257.752,13 0.713,14 5.757,15 255.178,16 3.236,17 2.202,18 21.867,19 263.32,20 378.25,21 3.497,22 0.399,23 2,24 0.757,25 2.5,26 297.128,27 5.585,28 0.618,29 3.045,30 3.045,31 20,32 3.714,33 270,34 124.918,35 31.947,36 42.5,37 0.025,38 1,39 1,40 56.249,41 2.731,42 3.435,43 6.442,44 3.75,45 4.431,46 5.056,47 90.241,48 2,49 1.014,50 3.499,51 1.401,52 3.084,53 3.186,54 1.319,55 1.319,56 9736,57 12.786,58 3.663,59 2.992,60 3.014,61 4.593,62 1.5,63 7.381,64 2941,65 36.371,66 13.876,67 28,68 1.414,69 6.071}
{0 CHEMBL2112583,1 2.788,2 2.788,3 3.083,4 3.083,5 184.863,6 3.088,7 10.349,8 306,9 475.48,10 3.373,11 3.649,12 325.422,13 1.289,14 6.033,15 320.178,16 3.956,17 2.309,18 25.267,19 313.38,20 457.61,21 3.785,22 0.861,23 2.444,24 0.792,25 2.773,26 349.32,27 8.174,28 1.622,29 3.258,30 3.258,31 25,32 3.932,33 320,34 158.918,35 40.392,36 50.5,37 0.062,38 1.357,39 1.357,40 68.148,41 3.408,42 3.716,43 8.403,44 4.103,45 4.787,46 5.293,47 116.256,48 2.36,49 1.32,50 3.724,51 2,52 3.364,53 8.332,54 2.83,55 2.83,56 15873,57 13.122,58 4.309,59 3.317,60 3.322,61 4.833,62 1.905,63 10.35,64 5224,65 48.275,66 15.816,67 38,68 2.047,69 6.62}
{0 CHEMBL2112584,1 2.516,2 2.516,3 3.081,4 3.081,5 139.986,6 2.689,7 8.807,8 245,9 378.29,10 3.226,11 3.421,12 261.912,13 1,14 5.778,15 259.178,16 3.376,17 2.22,18 23.167,19 277.35,20 384.01,21 3.516,22 0.45,23 2,24 0.615,25 2.5,26 301.289,27 6.499,28 1.067,29 3.091,30 3.091,31 21,32 3.761,33 274,34 128.918,35 33.17,36 44.5,37 0.037,38 1,39 1,40 59.249,41 3.061,42 3.478,43 6.679,44 3.773,45 4.454,46 5.094,47 92.266,48 2,49 1.091,50 3.539,51 1.555,52 3.213,53 3.186,54 2.13,55 2.13,56 11237,57 12.789,58 3.695,59 3.114,60 3.136,61 4.702,62 1.5,63 8.043,64 3580,65 37.43,66 14.855,67 29,68 1.519,69 6}
{0 CHEMBL2112585,1 2.521,2 2.521,3 3.081,4 3.081,5 147.412,6 2.728,7 9.16,8 249,9 384.05,10 3.271,11 3.465,12 266.074,13 1,14 5.8,15 263.178,16 3.518,17 2.226,18 24.467,19 291.38,20 389.77,21 3.521,22 0.453,23 2,24 0.559,25 2.5,26 305.451,27 7.179,28 1.312,29 3.135,30 3.135,31 22,32 3.807,33 278,34 132.918,35 34.469,36 46.5,37 0.083,38 1.146,39 1.146,40 62.249,41 3.176,42 3.519,43 6.929,44 3.795,45 4.477,46 5.13,47 95.245,48 2.144,49 1.167,50 3.578,51 1.555,52 3.305,53 3.186,54 2.136,55 2.136,56 12878,57 12.792,58 3.731,59 3.203,60 3.222,61 4.803,62 1.5,63 8.724,64 4303,65 38.888,66 15.836,67 30,68 1.684,69 6.347}
{0 CHEMBL2112586,1 2.789,2 2.789,3 3.079,4 3.079,5 199.315,6 3,7 11.328,8 259,9 408.69,10 3.429,11 3.679,12 276.569,13 2,14 5.994,15 273.178,16 4.218,17 2.545,18 27.667,19 321.46,20 393.02,21 3.786,22 0.454,23 2.598,24 0.969,25 3,26 302.615,27 9.598,28 1.587,29 3.296,30 3.296,31 26,32 3.97,33 276,34 176.918,35 43.05,36 50.5,37 0.074,38 1.706,39 1.706,40 67.431,41 3.446,42 3.726,43 8.985,44 3.85,45 4.533,46 5.398,47 132.532,48 2.715,49 1.763,50 3.873,51 2.306,52 3.221,54 3.267,55 3.267,56 12217,57 13.097,58 5.061,59 3.138,60 3.157,61 4.313,62 2,63 11.637,64 5401,65 42.337,66 15.744,67 39,68 5.041,69 6.62}
{0 CHEMBL2112634,1 2.778,2 2.778,3 3.083,4 3.083,5 163.97,6 2.86,7 9.986,8 307,9 477.03,10 3.321,11 3.632,12 329.407,13 1.196,14 5.933,15 327.845,16 3.817,17 2.71,18 25.5,19 307.33,20 492.14,21 3.776,22 0.452,23 2,24 0.938,25 2.641,26 391.401,27 6.342,28 1.475,29 3.178,30 3.178,31 23,32 3.85,33 354,34 147.241,35 37.62,36 50.5,37 0.091,38 1.268,39 1.268,40 65.231,41 3.346,42 3.66,43 7.484,44 3.922,45 4.605,46 5.209,47 106.607,48 2.27,49 1.112,50 3.675,51 2,52 3.27,53 6.371,54 2.323,55 2.323,56 17490,57 12.968,58 4.276,59 3.07,60 3.114,61 5.029,62 1.571,63 8.177,64 4358,65 42.576,66 16.461,67 34,68 1.571,69 5.745}
{0 CHEMBL2151817,1 2.659,2 2.659,3 3.298,4 3.298,5 175.212,6 2.904,7 10.976,8 313,9 483.73,10 3.408,11 3.546,12 337.745,13 1.36,14 5.955,15 335.861,16 3.671,17 2.443,18 27.148,19 330.44,20 478.62,21 3.632,22 0.74,23 2,24 0.778,25 2.671,26 364.72,27 6.506,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 338,34 146.555,35 38.254,36 52.5,37 0.12,38 1.214,39 1.214,40 70.732,41 3.15,42 3.626,43 7.608,44 4.043,45 4.727,46 5.252,47 106.508,48 2.198,49 1.395,50 3.766,51 2,52 3.294,53 35.539,54 2.605,55 2.605,56 17530,57 12.74,58 4.515,59 3.145,60 3.169,61 4.703,62 1.749,63 8.663,64 6549,65 47.061,66 18.251,67 33,68 1.217,69 5}
{0 CHEMBL2152107,1 2.902,2 2.902,3 3.54,4 3.54,5 272.61,6 3.429,7 13.793,8 494,9 787.65,10 3.725,11 4.229,12 524.46,13 2.178,14 6.301,15 532.609,16 5.443,17 2.841,18 32.862,19 435.86,20 794.09,21 3.803,22 2,23 3.14,24 1.376,25 3.151,26 614.167,27 9.467,28 1.957,29 3.526,30 3.526,31 33,32 4.205,33 570,34 225.255,35 51.187,36 68.333,37 0.178,38 1.563,39 1.563,40 94.708,41 3.698,42 4.2,43 10.663,44 4.391,45 5.078,46 5.557,47 149.211,48 2.502,49 1.617,50 4.187,51 2.876,52 3.579,53 115.574,54 4,55 4,56 44759,57 13.273,58 5.28,59 3.405,60 3.419,61 4.985,62 2.249,63 10.072,64 11922,65 63.598,66 20.841,67 48,68 2.562,69 6.21}
{0 CHEMBL2152108,1 2.902,2 2.902,3 3.54,4 3.54,5 272.61,6 3.429,7 13.793,8 480,9 764.35,10 3.719,11 4.23,12 509.93,13 2.152,14 6.301,15 514.217,16 5.428,17 2.781,18 32.795,19 434.88,20 767.65,21 3.815,22 2,23 3.14,24 1.376,25 3.151,26 593.443,27 9.455,28 1.957,29 3.526,30 3.526,31 33,32 4.205,33 550,34 222.777,35 51.187,36 67.833,37 0.178,38 1.563,39 1.563,40 94.3,41 3.689,42 4.202,43 10.663,44 4.391,45 5.078,46 5.557,47 149.211,48 2.505,49 1.721,50 4.179,51 2.876,52 3.579,53 102.088,54 4,55 4,56 43243,57 13.273,58 5.28,59 3.407,60 3.42,61 5.028,62 2.249,63 10.756,64 11922,65 63.598,66 20.841,67 48,68 2.684,69 6.149}
{0 CHEMBL2152109,1 2.996,2 2.996,3 3.571,4 3.571,5 264.349,6 3.271,7 13.356,8 480,9 767.03,10 3.694,11 4.218,12 510.089,13 2.147,14 6.288,15 515.062,16 5.26,17 2.82,18 31.495,19 420.85,20 767.87,21 3.891,22 2,23 3.137,24 1.417,25 3.137,26 592.963,27 8.875,28 1.95,29 3.497,30 3.497,31 32,32 4.174,33 550,34 220.721,35 50.197,36 65.833,37 0.189,38 1.542,39 1.542,40 91.567,41 3.707,42 4.234,43 10.424,44 4.379,45 5.066,46 5.533,47 146.952,48 2.491,49 1.671,50 4.158,51 2.631,52 3.561,53 105.212,54 3.96,55 3.96,56 40010,57 13.291,58 5.075,59 3.378,60 3.391,61 4.897,62 2.179,63 10.996,64 10543,65 62.203,66 19.882,67 48,68 2.538,69 5.67}
{0 CHEMBL2152110,1 2.918,2 2.918,3 3.55,4 3.55,5 231.17,6 3.156,7 12.121,8 444,9 708.99,10 3.551,11 3.934,12 470.808,13 1.732,14 6.225,15 486.891,16 4.802,17 2.761,18 27.81,19 358.35,20 685.47,21 3.838,22 1.207,23 2.993,24 1.223,25 3.027,26 520.991,27 5.976,28 1.949,29 3.401,30 3.401,31 29,32 4.078,33 484,34 192.516,35 45.406,36 59.5,37 0.103,38 1.574,39 1.574,40 79.715,41 3.489,42 3.982,43 9.141,44 4.327,45 5.014,46 5.442,47 134.961,48 2.533,49 1.49,50 4.018,51 2.345,52 3.369,53 114.83,54 3.977,55 3.977,56 28523,57 13.248,58 4.669,59 3.247,60 3.254,61 5.01,62 2.061,63 7.702,64 7648,65 57.945,66 16.75,67 43,68 2.097,69 5.78}
{0 CHEMBL2152112,1 3.029,2 3.029,3 3.703,4 3.703,5 232.779,6 3.253,7 12.295,8 441,9 704.49,10 3.536,11 3.902,12 469.65,13 1.583,14 6.3,15 479.563,16 4.779,17 2.767,18 27.043,19 354.36,20 668.11,21 3.92,22 1.218,23 3.004,24 1.257,25 3.14,26 505.39,27 6.15,28 2.034,29 3.401,30 3.401,31 29,32 4.078,33 468,34 193.584,35 46.428,36 58.5,37 0.135,38 1.549,39 1.549,40 78.477,41 3.467,42 3.975,43 9.366,44 4.437,45 5.124,46 5.46,47 139.647,48 2.528,49 1.559,50 4.013,51 2.345,52 3.401,53 100.302,54 3.974,55 3.974,56 27195,57 13.39,58 4.96,59 3.239,60 3.255,61 4.939,62 2.321,63 8.116,64 7579,65 61.716,66 16.541,67 43,68 2.083,69 6.638}
{0 CHEMBL2152113,1 3.056,2 3.056,3 3.707,4 3.707,5 272.681,6 3.599,7 13.757,8 468,9 747.54,10 3.655,11 4.071,12 496.123,13 1.87,14 6.391,15 506.915,16 5.37,17 2.802,18 30.343,19 394.43,20 700.33,21 3.932,22 2.123,23 3.138,24 1.365,25 3.234,26 525.418,27 8.783,28 2.321,29 3.526,30 3.526,31 33,32 4.205,33 488,34 219.084,35 52.173,36 64.5,37 0.167,38 1.799,39 1.799,40 87.726,41 3.593,42 4.106,43 10.201,44 4.505,45 5.193,46 5.587,47 157.574,48 2.76,49 1.765,50 4.086,51 2.939,52 3.585,53 100.302,54 4.255,55 4.255,56 34782,57 13.448,58 5.485,59 3.474,60 3.486,61 5.072,62 2.444,63 9.977,64 11340,65 67.599,66 18.128,67 47,68 2.563,69 6.721}
{0 CHEMBL2152114,1 3.08,2 3.08,3 3.713,4 3.713,5 298.782,6 3.515,7 14.38,8 495,9 790.33,10 3.726,11 4.16,12 524.3,13 2.075,14 6.404,15 537.904,16 5.655,17 2.827,18 33.11,19 424.46,20 752.57,21 3.942,22 2.221,23 3.247,24 1.348,25 3.158,26 566.459,27 10.149,28 2.202,29 3.584,30 3.584,31 35,32 4.263,33 528,34 230.908,35 54.902,36 69.5,37 0.181,38 1.708,39 1.708,40 94.789,41 3.689,42 4.195,43 11.319,44 4.527,45 5.215,46 5.631,47 164.37,48 2.637,49 1.969,50 4.186,51 3.134,52 3.563,53 100.302,54 4.223,55 4.223,56 43327,57 13.454,58 5.472,59 3.451,60 3.462,61 5.069,62 2.322,63 12.021,64 13375,65 70.673,66 19.97,67 52,68 2.998,69 6.3}
{0 CHEMBL2152115,1 3.08,2 3.08,3 3.713,4 3.713,5 311.112,6 3.555,7 15.001,8 498,9 793.16,10 3.746,11 4.179,12 526.891,13 2.129,14 6.435,15 539.54,16 5.886,17 2.83,18 34.41,19 438.49,20 751.73,21 3.942,22 2.221,23 3.414,24 1.459,25 3.281,26 566.686,27 10.672,28 2.321,29 3.611,30 3.611,31 36,32 4.29,33 526,34 236.911,35 57.149,36 71.5,37 0.206,38 2.026,39 2.026,40 96.73,41 3.76,42 4.22,43 11.729,44 4.549,45 5.236,46 5.666,47 170.557,48 2.995,49 2.079,50 4.22,51 3.135,52 3.579,53 100.302,54 4.517,55 4.517,56 46176,57 13.472,58 5.476,59 3.468,60 3.48,61 5.185,62 2.381,63 12.695,64 14604,65 72.248,66 20.915,67 54,68 3.394,69 6.481}
{0 CHEMBL2152116,1 3.02,2 3.02,3 3.675,4 3.675,5 234.231,6 3.412,7 12.307,8 464,9 741.18,10 3.58,11 3.995,12 493,13 1.583,14 6.3,15 494.581,16 4.834,17 2.75,18 26.829,19 374.77,20 724.54,21 3.905,22 1.191,23 2.972,24 1.282,25 3.161,26 556.794,27 5.505,28 1.974,29 3.401,30 3.401,31 29,32 4.078,33 514,34 204.953,35 46.207,36 58.833,37 0.148,38 1.551,39 1.551,40 81.447,41 3.54,42 4.13,43 9.621,44 4.437,45 5.124,46 5.46,47 139.461,48 2.515,49 1.394,50 4.076,51 2.475,52 3.53,53 118.689,54 4.004,55 4.004,56 30847,57 13.389,58 5.058,59 3.224,60 3.236,61 4.982,62 2.324,63 7.24,64 7431,65 61.628,66 16.812,67 43,68 2.125,69 6.495}
{0 CHEMBL2152117,1 3.068,2 3.068,3 3.703,4 3.703,5 247.414,6 3.412,7 12.844,8 476,9 762.24,10 3.616,11 4.038,12 507.38,13 1.855,14 6.339,15 507.426,16 4.975,17 2.771,18 28.129,19 388.8,20 740.14,21 3.93,22 1.237,23 3.01,24 1.369,25 3.245,26 567.508,27 6.48,28 2.109,29 3.434,30 3.434,31 30,32 4.111,33 524,34 213.786,35 48.698,36 60.833,37 0.185,38 1.77,39 1.77,40 84.116,41 3.632,42 4.213,43 10.002,44 4.472,45 5.159,46 5.501,47 146.336,48 2.714,49 1.518,50 4.112,51 2.522,52 3.548,53 103.803,54 4.12,55 4.12,56 32402,57 13.455,58 5.067,59 3.25,60 3.263,61 4.99,62 2.481,63 8.643,64 8160,65 63.528,66 17.761,67 46,68 2.275,69 6.921}
{0 CHEMBL2152118,1 3.076,2 3.076,3 3.707,4 3.707,5 288.662,6 3.599,7 14.306,8 503,9 805.3,10 3.727,11 4.225,12 533.854,13 2.221,14 6.427,15 534.778,16 5.57,17 2.807,18 31.429,19 428.87,20 772.36,21 3.936,22 2.221,23 3.149,24 1.539,25 3.412,26 587.536,27 9.282,28 2.422,29 3.555,30 3.555,31 34,32 4.234,33 544,34 239.285,35 54.427,36 66.833,37 0.217,38 1.986,39 1.986,40 93.365,41 3.74,42 4.318,43 10.849,44 4.538,45 5.226,46 5.624,47 164.422,48 2.897,49 1.725,50 4.178,51 2.963,52 3.586,53 103.803,54 5.509,55 5.509,56 40325,57 13.51,58 5.494,59 3.474,60 3.486,61 5.116,62 2.684,63 10.434,64 11999,65 69.495,66 19.334,67 50,68 2.795,69 6.959}
{0 CHEMBL2152119,1 3.072,2 3.072,3 3.685,4 3.685,5 296.848,6 3.435,7 14.788,8 490,9 785.07,10 3.765,11 4.188,12 517.962,13 1.704,14 6.371,15 522.995,16 5.709,17 2.686,18 33.995,19 447.92,20 756.53,21 3.926,22 2.006,23 3.414,24 1.317,25 3.257,26 575.038,27 11.025,28 2.32,29 3.584,30 3.584,31 35,32 4.263,33 534,34 245.557,35 55.555,36 69.333,37 0.206,38 1.996,39 1.996,40 96.324,41 3.608,42 4.289,43 11.937,44 4.516,45 5.204,46 5.645,47 167.084,48 2.934,49 1.894,50 4.259,51 3.101,52 3.64,53 69.558,54 4.491,55 4.491,56 44307,57 13.422,58 5.426,59 3.457,60 3.464,61 5.147,62 2.38,63 13.136,64 13775,65 69.591,66 20.718,67 52,68 3.464,69 6.796}
{0 CHEMBL2152120,1 2.904,2 2.904,3 3.497,4 3.497,5 270.516,6 3.4,7 14.202,8 475,9 759.09,10 3.758,11 4.26,12 503.593,13 1.764,14 6.263,15 499.308,16 5.481,17 2.739,18 33.681,19 458.34,20 771.61,21 3.813,22 1.599,23 3.102,24 1.289,25 3.089,26 602.023,27 10.317,28 2.09,29 3.526,30 3.526,31 33,32 4.205,33 556,34 237.427,35 51.874,36 67.667,37 0.202,38 1.973,39 1.973,40 95.834,41 3.741,42 4.296,43 11.281,44 4.379,45 5.066,46 5.572,47 152.102,48 2.904,49 1.633,50 4.253,51 2.863,52 3.652,53 71.343,54 4.276,55 4.276,56 44255,57 13.235,58 5.349,59 3.392,60 3.401,61 5.109,62 2.272,63 11.877,64 12338,65 62.6,66 21.603,67 48,68 3.14,69 6.824}
{0 CHEMBL2152121,1 3.015,2 3.015,3 3.64,4 3.64,5 221.121,6 3.391,7 12.094,8 456,9 733.09,10 3.602,11 4.006,12 484.071,13 1.542,14 6.226,15 478.035,16 4.658,17 2.383,18 26.414,19 384.2,20 729.34,21 3.886,22 1.076,23 2.876,24 1.139,25 3.049,26 565.147,27 5.712,28 1.928,29 3.367,30 3.367,31 28,32 4.043,33 522,34 213.599,35 44.616,36 56.667,37 0.148,38 1.55,39 1.55,40 81.04,41 3.282,42 4.206,43 9.829,44 4.401,45 5.088,46 5.434,47 136.02,48 2.511,49 1.208,50 4.121,51 2.32,52 3.531,53 87.945,54 3.929,55 3.929,56 29344,57 13.335,58 5.058,59 3.213,60 3.227,61 4.936,62 2.322,63 7.557,64 6898,65 58.979,66 16.615,67 41,68 2.192,69 7.071}
{0 CHEMBL2152122,1 3.067,2 3.067,3 3.677,4 3.677,5 274.632,6 3.484,7 14.093,8 495,9 797.21,10 3.745,11 4.234,12 524.925,13 1.874,14 6.362,15 518.233,16 5.393,17 2.726,18 31.014,19 438.3,20 777.16,21 3.918,22 1.43,23 3.127,24 1.396,25 3.4,26 595.889,27 9.56,28 2.416,29 3.526,30 3.526,31 33,32 4.205,33 552,34 247.931,35 52.811,36 64.667,37 0.217,38 1.981,39 1.981,40 92.959,41 3.585,42 4.381,43 11.057,44 4.505,45 5.193,46 5.602,47 160.999,48 2.895,49 1.544,50 4.219,51 2.884,52 3.657,53 73.059,54 5.506,55 5.506,56 38592,57 13.463,58 5.451,59 3.464,60 3.471,61 5.075,62 2.658,63 10.744,64 11276,65 66.86,66 19.139,67 48,68 2.862,69 6.602}
{0 CHEMBL2179309,1 2.776,2 2.776,3 3.541,4 3.541,5 242.295,6 3.226,7 11.73,8 371,9 574.98,10 3.578,11 3.877,12 391.63,13 1.597,14 6.205,15 385.561,16 4.365,17 2.648,18 27.8,19 357.5,20 496.59,21 3.759,22 2,23 3.095,24 0.896,25 3.127,26 350.155,27 9.713,28 1.899,29 3.466,30 3.466,31 31,32 4.143,33 330,34 193.296,35 47.99,36 56.5,37 0.096,38 1.541,39 1.541,40 82.359,41 3.395,42 3.982,43 10.214,44 4.314,45 5.001,46 5.476,47 136.484,48 2.505,49 1.695,50 3.889,51 2.517,52 3.593,53 44.598,54 3.931,55 3.931,56 20710,57 13.086,58 4.709,59 3.561,60 3.559,61 4.789,62 2.113,63 10.839,64 9969,65 59.924,66 16.627,67 44,68 2.963,69 7.131}
{0 CHEMBL2179310,1 2.85,2 2.85,3 3.549,4 3.549,5 240.276,6 3.219,7 12.264,8 369,9 574.49,10 3.554,11 3.853,12 393.746,13 1.596,14 6.227,15 383.561,16 4.251,17 2.715,18 28.4,19 359.52,20 493.93,21 3.844,22 2,23 3.022,24 1.038,25 3.025,26 350.416,27 10.344,28 1.659,29 3.434,30 3.434,31 30,32 4.111,33 328,34 189.962,35 47.045,36 56.5,37 0.147,38 1.534,39 1.534,40 80.293,41 3.391,42 4.028,43 10.133,44 4.314,45 5.001,46 5.468,47 139.396,48 2.5,49 1.93,50 3.94,51 2.486,52 3.495,53 44.598,54 3.339,55 3.339,56 19058,57 13.239,58 4.624,59 3.515,60 3.502,61 4.469,62 2.047,63 11.867,64 8849,65 59.269,66 17.86,67 46,68 2.802,69 5.91}
{0 CHEMBL2179311,1 2.729,2 2.729,3 3.54,4 3.54,5 224.262,6 3.175,7 10.84,8 367,9 571.55,10 3.535,11 3.815,12 392.219,13 1.596,14 6.125,15 384.288,16 4.041,17 2.473,18 27.267,19 347.46,20 515.09,21 3.681,22 2,23 2.997,24 0.952,25 2.962,26 371.943,27 8.718,28 1.613,29 3.401,30 3.401,31 29,32 4.078,33 350,34 179.732,35 45.022,36 55.5,37 0.114,38 1.521,39 1.521,40 80.46,41 3.324,42 3.953,43 9.829,44 4.259,45 4.945,46 5.389,47 124.078,48 2.474,49 1.573,50 3.865,51 2.359,52 3.391,53 44.598,54 2.702,55 2.702,56 20451,57 13.02,58 4.474,59 3.296,60 3.316,61 4.757,62 1.953,63 10.213,64 8218,65 56.483,66 16.873,67 43,68 2.655,69 6.33}
{0 CHEMBL2179312,1 2.756,2 2.756,3 3.541,4 3.541,5 265.331,6 3.225,7 12.438,8 391,9 607.25,10 3.652,11 3.978,12 413.721,13 1.619,14 6.221,15 407.673,16 4.624,17 2.765,18 30.5,19 386.55,20 529.71,21 3.713,22 2.095,23 3.247,24 0.976,25 3.122,26 375.188,27 9.539,28 1.903,29 3.526,30 3.526,31 33,32 4.205,33 354,34 204.016,35 50.245,36 61,37 0.096,38 1.544,39 1.544,40 88.972,41 3.55,42 4.038,43 11.28,44 4.341,45 5.027,46 5.525,47 142.205,48 2.508,49 1.852,50 4.005,51 3,52 3.596,53 47.722,54 3.932,55 3.932,56 24904,57 13.072,58 4.701,59 3.563,60 3.561,61 4.822,62 2.11,63 11.333,64 12037,65 62.756,66 18.457,67 46,68 3.127,69 5.951}
{0 CHEMBL2179313,1 2.875,2 2.875,3 3.522,4 3.522,5 235.821,6 3.193,7 12.603,8 433,9 690.97,10 3.635,11 4.034,12 458.961,13 1.598,14 6.161,15 467.015,16 4.929,17 2.554,18 29.929,19 394.86,20 680.45,21 3.842,22 1.285,23 3.101,24 1.136,25 2.95,26 521.976,27 9.484,28 1.811,29 3.434,30 3.434,31 30,32 4.111,33 484,34 208.997,35 46.384,36 60.833,37 0.131,38 1.538,39 1.538,40 84.976,41 3.479,42 4.166,43 9.901,44 4.287,45 4.973,46 5.468,47 137.085,48 2.502,49 1.591,50 4.11,51 2.405,52 3.551,53 58.734,54 3.915,55 3.915,56 31284,57 13.114,58 4.691,59 3.352,60 3.37,61 4.658,62 2.115,63 11.319,64 9273,65 57.715,66 18.429,67 43,68 2.791,69 7.26}
{0 CHEMBL2179314,1 2.769,2 2.769,3 3.51,4 3.51,5 229.159,6 3.192,7 11.517,8 363,9 566.92,10 3.599,11 3.889,12 382.702,13 1.597,14 6.122,15 369.015,16 4.217,17 2.455,18 27.386,19 366.93,20 501.39,21 3.742,22 1.362,23 3.051,24 0.754,25 2.951,26 358.507,27 10.254,28 1.814,29 3.434,30 3.434,31 30,32 4.111,33 338,34 202.267,35 46.313,36 54.333,37 0.088,38 1.538,39 1.538,40 81.953,41 3.424,42 4.072,43 10.421,44 4.273,45 4.959,46 5.451,47 133.178,48 2.502,49 1.52,50 3.944,51 2.405,52 3.594,53 13.854,54 3.923,55 3.923,56 19501,57 13.012,58 4.688,59 3.561,60 3.558,61 4.742,62 2.113,63 11.391,64 9324,65 57.366,66 16.435,67 42,68 3.046,69 6.991}
{0 CHEMBL2179315,1 2.719,2 2.719,3 3.504,4 3.504,5 201.511,6 2.966,7 10.247,8 343,9 534.91,10 3.509,11 3.744,12 361.812,13 1.22,14 6.019,15 349.015,16 3.77,17 1.895,18 25.386,19 340.89,20 476.33,21 3.664,22 1.279,23 2.731,24 0.729,25 2.768,26 342.079,27 9.38,28 1.5,29 3.332,30 3.332,31 27,32 4.007,33 322,34 182.267,35 41.961,36 50.333,37 0.098,38 1.447,39 1.447,40 75.847,41 3.303,42 3.989,43 9.901,44 4.201,45 4.887,46 5.333,47 118.044,48 2.38,49 1.389,50 3.891,51 2.172,52 3.518,53 13.854,54 2.662,55 2.662,56 15813,57 12.937,58 4.428,59 3.357,60 3.342,61 4.658,62 1.841,63 11.225,64 6816,65 52.541,66 15.768,67 40,68 2.736,69 6.413}
{0 CHEMBL2179316,1 3.084,2 3.084,3 3.532,4 3.532,5 251.502,6 3.335,7 13.357,8 469,9 751.43,10 3.674,11 4.09,12 497.089,13 1.627,14 6.236,15 512.348,16 5.31,17 2.558,18 31.443,19 412.85,20 753.03,21 3.921,22 1.343,23 3.101,24 1.309,25 2.964,26 583.968,27 9.519,28 1.821,29 3.466,30 3.466,31 31,32 4.143,33 540,34 224.653,35 48.73,36 64.333,37 0.139,38 1.558,39 1.558,40 87.802,41 3.585,42 4.248,43 9.901,44 4.327,45 5.014,46 5.525,47 148.37,48 2.518,49 1.808,50 4.181,51 2.773,52 3.564,53 58.734,54 3.927,55 3.927,56 37145,57 13.314,58 5.054,59 3.352,60 3.372,61 4.658,62 2.128,63 11.384,64 9916,65 59.727,66 19.322,67 47,68 2.75,69 6.936}
{0 CHEMBL2179317,1 2.828,2 2.828,3 3.517,4 3.517,5 288.313,6 3.368,7 14.023,8 471,9 761.72,10 3.743,11 4.223,12 499.528,13 1.675,14 6.321,15 505.015,16 5.731,17 2.692,18 33.229,19 434.93,20 722.53,21 3.775,22 2,23 3.331,24 1.295,25 3.155,26 547.097,27 11.468,28 2.11,29 3.555,30 3.555,31 34,32 4.234,33 508,34 249.489,35 54.649,36 66.833,37 0.198,38 1.867,39 1.867,40 93.779,41 4.039,42 4.414,43 11.051,44 4.391,45 5.078,46 5.624,47 166.376,48 2.803,49 2.503,50 4.199,51 3.051,52 3.627,53 58.734,54 4.198,55 4.198,56 35465,57 13.495,58 5.356,59 3.584,60 3.585,61 4.787,62 2.292,63 13.98,64 12288,65 64.623,66 19.995,67 55,68 3.271,69 6.75}
{0 CHEMBL2179318,1 2.769,2 2.769,3 3.51,4 3.51,5 229.159,6 3.192,7 11.517,8 379,9 592.76,10 3.611,11 3.892,12 399.768,13 1.595,14 6.122,15 387.832,16 4.186,17 2.453,18 27.486,19 367.92,20 524.67,21 3.726,22 1.362,23 3.051,24 0.754,25 2.951,26 375.049,27 9.559,28 1.814,29 3.434,30 3.434,31 30,32 4.111,33 354,34 205.153,35 46.313,36 54.833,37 0.088,38 1.538,39 1.538,40 82.528,41 3.429,42 4.072,43 10.421,44 4.273,45 4.959,46 5.451,47 133.178,48 2.499,49 1.445,50 3.953,51 2.405,52 3.588,53 16.549,54 3.923,55 3.923,56 20385,57 13.012,58 4.688,59 3.513,60 3.522,61 4.444,62 2.113,63 10.76,64 9324,65 57.366,66 16.398,67 42,68 2.745,69 6.025}
{0 CHEMBL2179319,1 2.885,2 2.885,3 3.549,4 3.549,5 272.849,6 3.251,7 13.55,8 435,9 701.14,10 3.673,11 4.206,12 460.541,13 1.597,14 6.252,15 476.152,16 5.494,17 2.636,18 32.143,19 400.49,20 649.95,21 3.857,22 2,23 3.247,24 1.514,25 3.15,26 484.751,27 11.76,28 2.112,29 3.526,30 3.526,31 33,32 4.205,33 452,34 219.106,35 51.312,36 64.5,37 0.138,38 1.804,39 1.804,40 88.296,41 3.717,42 4.245,43 9.993,44 4.353,45 5.04,46 5.572,47 154.073,48 2.753,49 2.238,50 4.094,51 2.988,52 3.593,53 58.419,54 3.947,55 3.947,56 28636,57 13.252,58 5.221,59 3.561,60 3.559,61 4.787,62 2.355,63 12.293,64 11271,65 62.648,66 18.785,67 48,68 3.105,69 7.797}
{0 CHEMBL2179320,1 2.885,2 2.885,3 3.549,4 3.549,5 243.215,6 3.182,7 12.279,8 415,9 669.13,10 3.589,11 4.103,12 439.651,13 1.523,14 6.161,15 456.152,16 5.04,17 2.266,18 30.143,19 374.45,20 624.89,21 3.815,22 1.487,23 3.021,24 1.49,25 2.958,26 468.323,27 10.77,28 1.789,29 3.434,30 3.434,31 30,32 4.111,33 436,34 199.106,35 47.058,36 60.5,37 0.147,38 1.535,39 1.535,40 82.19,41 3.389,42 4.176,43 9.473,44 4.287,45 4.973,46 5.468,47 138.943,48 2.499,49 2.101,50 4.048,51 2.498,52 3.474,53 58.419,54 3.833,55 3.833,56 24102,57 13.194,58 4.674,59 3.372,60 3.37,61 4.704,62 2.134,63 12.093,64 8505,65 57.819,66 18.157,67 46,68 2.794,69 6.936}
{0 CHEMBL2179321,1 2.885,2 2.885,3 3.549,4 3.549,5 264.344,6 3.189,7 13.013,8 423,9 681.17,10 3.652,11 4.196,12 448.153,13 1.579,14 6.19,15 464.152,16 5.336,17 2.291,18 32.743,19 402.51,20 636.45,21 3.821,22 2,23 3.247,24 1.57,25 2.963,26 476.73,27 11.338,28 1.804,29 3.497,30 3.497,31 32,32 4.174,33 444,34 207.106,35 49.737,36 64.5,37 0.156,38 1.536,39 1.536,40 88.19,41 3.638,42 4.232,43 9.877,44 4.314,45 5.001,46 5.517,47 144.113,48 2.499,49 2.253,50 4.094,51 2.621,52 3.503,53 58.419,54 3.945,55 3.945,56 27256,57 13.199,58 4.681,59 3.508,60 3.492,61 4.898,62 2.141,63 12.809,64 10427,65 60.39,66 20.068,67 48,68 3.025,69 7.62}
{0 CHEMBL2179322,1 2.969,2 2.969,3 3.682,4 3.682,5 289.245,6 3.461,7 14.304,8 471,9 761.6,10 3.71,11 4.253,12 498.668,13 1.628,14 6.321,15 521.485,16 5.933,17 2.638,18 33.657,19 418.48,20 722.53,21 3.879,22 2,23 3.247,24 1.688,25 3.173,26 546.743,27 11.791,28 2.124,29 3.555,30 3.555,31 34,32 4.234,33 508,34 234.762,35 53.711,36 68,37 0.154,38 1.868,39 1.868,40 91.121,41 3.949,42 4.321,43 9.993,44 4.391,45 5.078,46 5.624,47 164.966,48 2.792,49 2.457,50 4.166,51 3.024,52 3.603,53 58.419,54 4.208,55 4.208,56 33953,57 13.428,58 5.228,59 3.561,60 3.562,61 4.787,62 2.359,63 12.356,64 12000,65 64.486,66 19.664,67 52,68 3.064,69 7.409}
{0 CHEMBL2179323,1 2.942,2 2.942,3 3.67,4 3.67,5 254.524,6 3.175,7 12.855,8 430,9 696.2,10 3.612,11 4.136,12 456.035,13 1.631,14 6.23,15 471.152,16 5.207,17 2.615,18 29.543,19 372.43,20 641.94,21 3.869,22 1.344,23 3.088,24 1.403,25 2.996,26 478.544,27 9.541,28 2.071,29 3.466,30 3.466,31 31,32 4.143,33 446,34 211.273,35 48.743,36 60.5,37 0.037,38 1.618,39 1.618,40 82.296,41 3.74,42 4.19,43 9.44,44 4.341,45 5.027,46 5.525,47 148.627,48 2.614,49 2.048,50 4.047,51 2.543,52 3.478,53 61.605,54 4.097,55 4.097,56 23410,57 13.281,58 5.214,59 3.335,60 3.349,61 4.898,62 2.186,63 10.063,64 8799,65 60.116,66 16.917,67 46,68 2.765,69 6.827}
{0 CHEMBL2179324,1 2.967,2 2.967,3 3.657,4 3.657,5 243.4,6 3.169,7 12.513,8 426,9 691.81,10 3.58,11 4.088,12 452.652,13 1.609,14 6.217,15 467.152,16 5.064,17 2.575,18 28.243,19 358.4,20 636.3,21 3.871,22 1.341,23 3,24 1.278,25 2.991,26 474.648,27 8.32,28 2.012,29 3.434,30 3.434,31 30,32 4.111,33 442,34 207.439,35 47.433,36 58.5,37 0.053,38 1.551,39 1.551,40 79.296,41 3.666,42 4.146,43 9.138,44 4.327,45 5.014,46 5.501,47 146.364,48 2.527,49 1.912,50 4.023,51 2.494,52 3.467,53 61.605,54 4.001,55 4.001,56 21624,57 13.286,58 5.202,59 3.279,60 3.304,61 4.571,62 2.188,63 8.622,64 7903,65 58.923,66 15.99,67 43,68 2.49,69 6.398}
{0 CHEMBL2179325,1 2.94,2 2.94,3 3.549,4 3.549,5 263.312,6 3.257,7 13.209,8 431,9 696.11,10 3.643,11 4.182,12 456.737,13 1.559,14 6.238,15 472.152,16 5.357,17 2.626,18 30.843,19 386.46,20 644.25,21 3.867,22 1.689,23 3.247,24 1.452,25 3.135,26 480.72,27 10.712,28 2.08,29 3.497,30 3.497,31 32,32 4.174,33 448,34 215.273,35 49.857,36 62.5,37 0.089,38 1.764,39 1.764,40 85.296,41 3.803,42 4.218,43 9.69,44 4.341,45 5.027,46 5.549,47 151.874,48 2.718,49 2.098,50 4.071,51 2.955,52 3.582,53 58.419,54 3.853,55 3.853,56 25882,57 13.255,58 5.221,59 3.54,60 3.54,61 4.931,62 2.351,63 10.761,64 9953,65 61.495,66 17.849,67 45,68 2.735,69 5.91}
{0 CHEMBL2179326,1 2.969,2 2.969,3 3.685,4 3.685,5 299.138,6 3.585,7 14.711,8 504,9 811.34,10 3.746,11 4.28,12 534.58,13 2.129,14 6.333,15 563.819,16 6.093,17 2.797,18 35.171,19 436.47,20 793.27,21 3.879,22 2,23 3.414,24 1.653,25 3.198,26 608.872,27 11.834,28 2.26,29 3.584,30 3.584,31 35,32 4.263,33 564,34 240.508,35 55.764,36 71.5,37 0.188,38 1.93,39 1.93,40 94.855,41 3.837,42 4.365,43 9.993,44 4.428,45 5.115,46 5.645,47 167.083,48 2.853,49 2.564,50 4.189,51 3.006,52 3.614,53 76.661,54 5.07,55 5.07,56 43414,57 13.366,58 5.278,59 3.56,60 3.563,61 4.994,62 2.362,63 12.415,64 13333,65 66.292,66 20.546,67 53,68 3.145,69 8}
{0 CHEMBL2179327,1 2.885,2 2.885,3 3.549,4 3.549,5 272.849,6 3.251,7 13.55,8 447,9 719.68,10 3.679,11 4.209,12 474.181,13 1.597,14 6.252,15 490.265,16 5.494,17 2.636,18 32.243,19 401.48,20 671.35,21 3.855,22 2,23 3.247,24 1.514,25 3.15,26 501.991,27 10.867,28 2.112,29 3.526,30 3.526,31 33,32 4.205,33 468,34 220.605,35 51.312,36 65,37 0.138,38 1.804,39 1.804,40 88.796,41 3.723,42 4.248,43 9.993,44 4.353,45 5.04,46 5.572,47 154.073,48 2.745,49 2.183,50 4.097,51 2.988,52 3.584,53 76.514,54 3.947,55 3.947,56 30266,57 13.252,58 5.221,59 3.524,60 3.528,61 4.952,62 2.355,63 11.369,64 11271,65 62.648,66 18.725,67 48,68 3.008,69 6.285}
{0 CHEMBL2179328,1 2.726,2 2.726,3 3.539,4 3.539,5 213.986,6 3.166,7 10.46,8 333,9 516.41,10 3.477,11 3.728,12 351.451,13 1.595,14 6.109,15 343.563,16 3.919,17 2.379,18 25.7,19 330.47,20 447.57,21 3.685,22 1.494,23 2.768,24 0.872,25 2.959,26 315.939,27 9.141,28 1.611,29 3.367,30 3.367,31 28,32 4.043,33 298,34 171.187,35 43.536,36 52,37 0.106,38 1.488,39 1.488,40 75.799,41 3.211,42 3.886,43 9.694,44 4.245,45 4.931,46 5.361,47 121.351,48 2.451,49 1.591,50 3.826,51 2.299,52 3.399,53 53.645,54 2.696,55 2.696,56 16066,57 13.017,58 4.464,59 3.403,60 3.393,61 4.757,62 1.939,63 11.434,64 7375,65 55.094,66 16.025,67 42,68 2.73,69 6.3}
{0 CHEMBL2179329,1 2.726,2 2.726,3 3.539,4 3.539,5 213.986,6 3.166,7 10.46,8 351,9 542.97,10 3.485,11 3.731,12 370.74,13 1.595,14 6.109,15 365.561,16 3.917,17 2.379,18 25.8,19 331.46,20 471.53,21 3.679,22 1.494,23 2.768,24 0.872,25 2.959,26 333.727,27 8.816,28 1.611,29 3.367,30 3.367,31 28,32 4.043,33 314,34 173.296,35 43.536,36 52.5,37 0.106,38 1.488,39 1.488,40 76.253,41 3.212,42 3.891,43 9.694,44 4.245,45 4.931,46 5.361,47 121.351,48 2.445,49 1.565,50 3.833,51 2.299,52 3.39,53 44.598,54 2.696,55 2.696,56 16912,57 13.017,58 4.464,59 3.374,60 3.367,61 4.708,62 1.939,63 10.668,64 7375,65 55.094,66 15.964,67 42,68 2.653,69 6.157}
{0 CHEMBL2179330,1 2.729,2 2.729,3 3.54,4 3.54,5 224.262,6 3.175,7 10.84,8 337,9 522.65,10 3.512,11 3.809,12 355.789,13 1.595,14 6.125,15 347.563,16 4.063,17 2.392,18 27,19 344.5,20 453.37,21 3.689,22 2,23 2.997,24 0.952,25 2.962,26 320.185,27 9.944,28 1.613,29 3.401,30 3.401,31 29,32 4.078,33 302,34 175.187,35 45.022,36 54,37 0.114,38 1.521,39 1.521,40 78.799,41 3.313,42 3.931,43 9.829,44 4.259,45 4.945,46 5.389,47 124.078,48 2.485,49 1.675,50 3.855,51 2.359,52 3.434,53 53.645,54 2.702,55 2.702,56 17287,57 13.02,58 4.474,59 3.461,60 3.445,61 4.854,62 1.953,63 11.729,64 8218,65 56.483,66 16.972,67 43,68 2.865,69 6.81}
{0 CHEMBL2179331,1 2.729,2 2.729,3 3.54,4 3.54,5 224.262,6 3.175,7 10.84,8 355,9 549.23,10 3.52,11 3.811,12 375.08,13 1.595,14 6.125,15 369.561,16 4.062,17 2.392,18 27.1,19 345.49,20 477.33,21 3.683,22 2,23 2.997,24 0.952,25 2.962,26 337.972,27 9.361,28 1.613,29 3.401,30 3.401,31 29,32 4.078,33 318,34 177.296,35 45.022,36 54.5,37 0.114,38 1.521,39 1.521,40 79.253,41 3.314,42 3.94,43 9.829,44 4.259,45 4.945,46 5.389,47 124.078,48 2.489,49 1.648,50 3.862,51 2.359,52 3.429,53 44.598,54 2.702,55 2.702,56 18147,57 13.02,58 4.474,59 3.454,60 3.437,61 4.808,62 1.953,63 10.719,64 8218,65 56.483,66 16.91,67 43,68 2.776,69 6.524}
{0 CHEMBL2179332,1 2.875,2 2.875,3 3.544,4 3.544,5 249.101,6 3.227,7 12.816,8 423,9 672.41,10 3.607,11 4.029,12 448.597,13 1.599,14 6.24,15 461.563,16 5.073,17 2.922,18 30.243,19 384.44,20 651.69,21 3.847,22 2,23 3.135,24 1.278,25 3.131,26 495.837,27 9.244,28 1.896,29 3.466,30 3.466,31 31,32 4.143,33 460,34 197.917,35 48.07,36 62.5,37 0.139,38 1.539,39 1.539,40 84.928,41 3.564,42 4.068,43 9.694,44 4.327,45 5.014,46 5.493,47 140.427,48 2.5,49 1.844,50 4.058,51 2.521,52 3.52,53 98.526,54 3.928,55 3.928,56 31801,57 13.181,58 4.715,59 3.401,60 3.411,61 4.757,62 2.116,63 11.571,64 9916,65 60.295,66 18.689,67 45,68 2.792,69 6.903}
{0 CHEMBL2179333,1 2.875,2 2.875,3 3.544,4 3.544,5 249.101,6 3.227,7 12.816,8 441,9 699.03,10 3.614,11 4.024,12 467.89,13 1.599,14 6.24,15 483.561,16 5.104,17 2.922,18 30.343,19 385.43,20 675.65,21 3.847,22 2,23 3.135,24 1.278,25 3.131,26 513.624,27 8.916,28 1.896,29 3.466,30 3.466,31 31,32 4.143,33 476,34 200.026,35 48.07,36 63,37 0.139,38 1.539,39 1.539,40 85.382,41 3.565,42 4.085,43 9.694,44 4.327,45 5.014,46 5.493,47 140.427,48 2.504,49 1.789,50 4.064,51 2.521,52 3.52,53 89.478,54 3.928,55 3.928,56 32833,57 13.181,58 4.715,59 3.37,60 3.391,61 4.708,62 2.116,63 10.758,64 9916,65 60.295,66 18.627,67 45,68 2.708,69 7.251}
{0 CHEMBL218710,1 2.147,2 2.147,3 2.676,4 2.676,5 94.138,6 1,7 6.766,8 241,9 380.48,10 3.188,11 3.045,12 260.125,13 0.434,14 5.602,15 240.898,16 2.745,17 2.704,18 17,19 219.24,20 390.86,21 3.045,22 -0.796,23 1.2,24 0.347,25 1,26 314.333,27 1.121,28 -0.721,29 2.773,30 2.773,31 15,32 3.434,33 282,34 146.59,35 26.476,36 33.5,38 -0.314,39 -0.314,40 48.087,41 0.007,42 3.536,43 6.134,44 3.466,45 4.143,46 4.875,47 81.509,48 0.632,49 0.544,50 3.524,51 1,52 2.891,54 -1.564,55 -1.564,56 5418,57 12.92,58 3.374,59 2.581,60 2.63,61 4.263,62 -0.331,63 3.043,64 1011,65 26.833,66 9.926,67 22,68 2.788,69 6.294}
{0 CHEMBL2204436,1 2.463,2 2.463,3 2.923,4 2.923,5 164.027,6 2.85,7 9.692,8 335,9 519.56,10 3.62,11 3.629,12 357.248,13 1.006,14 5.842,15 319.614,16 3.368,17 2.471,18 22.938,19 402.14,20 538.65,21 3.376,22 0.795,23 2.328,24 0.598,25 2.514,26 418.228,27 7.329,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 388,34 191.469,35 36.614,36 46.417,37 0.091,38 1.316,39 1.316,40 80.345,41 3.516,42 3.931,43 9.057,44 3.989,45 4.673,46 5.198,47 99.365,48 2.22,49 0.975,50 4.063,51 1.906,52 3.604,53 34.461,54 2.275,55 2.275,56 20225,57 12.501,58 4.232,59 3.102,60 3.092,61 4.831,62 1.515,63 6.866,64 5481,65 44.347,66 16.154,67 30,68 1.985,69 4.837}
{0 CHEMBL2204445,1 2.564,2 2.564,3 3.296,4 3.296,5 202.066,6 3.142,7 10.713,8 326,9 502.18,10 3.49,11 3.605,12 348.601,13 1.271,14 6.041,15 338.514,16 3.995,17 2.607,18 27.8,19 349.46,20 482.28,21 3.546,22 1.428,23 2.682,24 0.778,25 2.882,26 358.074,27 8.819,28 1.5,29 3.367,30 3.367,31 28,32 4.043,33 336,34 158.31,35 42.06,36 55.5,37 0.087,38 1.262,39 1.262,40 79.116,41 3.228,42 3.71,43 9.306,44 4.143,45 4.828,46 5.323,47 110.872,48 2.257,49 1.331,50 3.79,51 2.146,52 3.335,53 25.8,54 2.275,55 2.275,56 22697,57 12.73,58 4.952,59 3.258,60 3.272,61 4.824,62 1.501,63 9.129,64 8934,65 52.28,66 18.353,67 38,68 2.136,69 5}
{0 CHEMBL2204446,1 2.564,2 2.564,3 3.296,4 3.296,5 202.066,6 3.142,7 10.713,8 326,9 502.18,10 3.49,11 3.605,12 348.601,13 1.271,14 6.041,15 338.514,16 3.995,17 2.607,18 27.8,19 349.46,20 482.28,21 3.546,22 1.428,23 2.682,24 0.778,25 2.882,26 358.074,27 8.819,28 1.5,29 3.367,30 3.367,31 28,32 4.043,33 336,34 158.31,35 42.06,36 55.5,37 0.087,38 1.262,39 1.262,40 79.116,41 3.228,42 3.71,43 9.306,44 4.143,45 4.828,46 5.323,47 110.872,48 2.257,49 1.331,50 3.79,51 2.146,52 3.335,53 25.8,54 2.275,55 2.275,56 22697,57 12.73,58 4.952,59 3.258,60 3.272,61 4.824,62 1.501,63 9.129,64 8934,65 52.28,66 18.353,67 38,68 2.136,69 5}
{0 CHEMBL2206437,1 2.822,2 2.822,3 3.52,4 3.52,5 254.286,6 3.356,7 12.679,8 432,9 677.12,10 3.678,11 3.988,12 456.741,13 1.676,14 6.215,15 456.682,16 4.722,17 2.695,18 30.414,19 402.91,20 644.71,21 3.772,22 1.374,23 3.051,24 0.892,25 3.104,26 482.628,27 10.352,28 2.075,29 3.497,30 3.497,31 32,32 4.174,33 450,34 223.669,35 50.551,36 61.333,37 0.155,38 1.808,39 1.808,40 88.512,41 3.581,42 4.212,43 10.421,44 4.353,45 5.04,46 5.533,47 146.301,48 2.74,49 1.883,50 4.054,51 2.658,52 3.614,53 32.096,54 4.208,55 4.208,56 31099,57 13.155,58 5.24,59 3.56,60 3.563,61 4.962,62 2.26,63 11.522,64 11146,65 61.067,66 18.177,67 47,68 3.087,69 7.21}
{0 CHEMBL2206438,1 3.079,2 3.079,3 3.59,4 3.59,5 288.192,6 3.49,7 14.062,8 513,9 817.33,10 3.724,11 4.199,12 546.911,13 2.088,14 6.335,15 569.439,16 5.675,17 2.995,18 34.624,19 433.45,20 808.61,21 3.94,22 2,23 3.138,24 1.48,25 3.144,26 621.858,27 11.01,28 2.087,29 3.555,30 3.555,31 34,32 4.234,33 576,34 228.034,35 53.954,36 71.5,37 0.231,38 1.629,39 1.629,40 95.52,41 3.706,42 4.273,43 10.475,44 4.416,45 5.103,46 5.595,47 156.936,48 2.59,49 2.059,50 4.175,51 2.94,52 3.529,53 114.843,54 4.063,55 4.063,56 48434,57 13.334,58 5.496,59 3.37,60 3.392,61 5.014,62 2.166,63 12.344,64 12693,65 65.184,66 21.403,67 53,68 2.916,69 7.509}
{0 CHEMBL2206439,1 3.035,2 3.035,3 3.535,4 3.535,5 273.744,6 3.399,7 13.956,8 504,9 805.15,10 3.743,11 4.229,12 536.95,13 1.705,14 6.263,15 551.894,16 5.482,17 2.768,18 34.21,19 442.88,20 812.75,21 3.919,22 1.773,23 3.101,24 1.393,25 3.238,26 630.281,27 11.627,28 2.112,29 3.526,30 3.526,31 33,32 4.205,33 584,34 234.897,35 52.204,36 69.333,37 0.189,38 1.974,39 1.974,40 95.012,41 3.632,42 4.321,43 10.683,44 4.379,45 5.066,46 5.572,47 153.238,48 2.889,49 1.806,50 4.216,51 2.859,52 3.566,53 84.098,54 4.324,55 4.324,56 46631,57 13.256,58 5.225,59 3.352,60 3.37,61 4.972,62 2.415,63 12.856,64 11950,65 62.614,66 21.203,67 50,68 3.016,69 7.979}
{0 CHEMBL2206440,1 2.82,2 2.82,3 3.519,4 3.519,5 253.938,6 3.257,7 12.236,8 400,9 627.54,10 3.674,11 4.023,12 424.043,13 1.675,14 6.184,15 410.56,16 4.495,17 2.5,18 30.152,19 396.96,20 562.32,21 3.772,22 1.649,23 3.051,24 0.844,25 2.953,26 404.654,27 12.339,28 2.084,29 3.497,30 3.497,31 32,32 4.174,33 382,34 218.257,35 50.082,36 59.333,37 0.122,38 1.557,39 1.557,40 88.76,41 3.543,42 4.194,43 11.202,44 4.327,45 5.014,46 5.517,47 142.907,48 2.513,49 1.631,50 4.016,51 2.73,52 3.601,53 30.097,54 3.942,55 3.942,56 24715,57 13.113,58 5.201,59 3.562,60 3.561,61 4.997,62 2.113,63 12.871,64 11066,65 60.391,66 18.262,67 47,68 3.241,69 7.699}
{0 CHEMBL2206441,1 2.825,2 2.825,3 3.52,4 3.52,5 266.857,6 3.384,7 12.87,8 434,9 681.1,10 3.711,11 4.111,12 460.691,13 1.676,14 6.229,15 453.894,16 4.739,17 2.702,18 31.667,19 414.95,20 633.69,21 3.775,22 1.773,23 3.051,24 1.011,25 3.235,26 466.812,27 12.45,28 2.109,29 3.526,30 3.526,31 33,32 4.205,33 438,34 228.167,35 52.01,36 62.833,37 0.147,38 1.974,39 1.974,40 91.99,41 3.585,42 4.24,43 11.202,44 4.366,45 5.053,46 5.557,47 149.332,48 2.896,49 1.723,50 4.068,51 2.859,52 3.612,53 39.218,54 4.328,55 4.328,56 30706,57 13.168,58 5.219,59 3.561,60 3.563,61 5.034,62 2.414,63 12.934,64 12007,65 62.265,66 19.139,67 49,68 3.271,69 7.951}
{0 CHEMBL2206442,1 2.83,2 2.83,3 3.52,4 3.52,5 268.133,6 3.297,7 12.773,8 435,9 684.47,10 3.711,11 4.111,12 461.483,13 1.676,14 6.229,15 454.894,16 4.762,17 2.572,18 31.667,19 414.95,20 634.29,21 3.778,22 1.673,23 3.051,24 0.872,25 3.244,26 466.642,27 12.447,28 2.113,29 3.526,30 3.526,31 33,32 4.205,33 438,34 229.749,35 52.213,36 62.833,37 0.147,38 1.95,39 1.95,40 92.091,41 3.626,42 4.291,43 11.202,44 4.366,45 5.053,46 5.557,47 149.584,48 2.869,49 1.819,50 4.068,51 2.86,52 3.606,53 39.218,54 4.253,55 4.253,56 30082,57 13.193,58 5.202,59 3.561,60 3.562,61 5.034,62 2.443,63 13.013,64 11903,65 62.206,66 19.139,67 50,68 3.278,69 7.951}
{0 CHEMBL2206443,1 2.833,2 2.833,3 3.52,4 3.52,5 267.432,6 3.334,7 12.764,8 435,9 685.22,10 3.711,11 4.086,12 461.723,13 1.685,14 6.229,15 454.894,16 4.752,17 2.655,18 31.667,19 414.95,20 634.35,21 3.78,22 1.785,23 3.051,24 0.955,25 3.002,26 466.741,27 12.43,28 2.087,29 3.526,30 3.526,31 33,32 4.205,33 438,34 230.275,35 52.215,36 62.833,37 0.147,38 1.628,39 1.628,40 92.091,41 3.585,42 4.262,43 11.202,44 4.366,45 5.053,46 5.557,47 149.695,48 2.588,49 1.768,50 4.068,51 2.863,52 3.613,53 39.218,54 3.956,55 3.956,56 30578,57 13.191,58 5.346,59 3.561,60 3.563,61 5.034,62 2.164,63 12.993,64 11991,65 62.257,66 19.139,67 50,68 3.254,69 7.432}
{0 CHEMBL2206444,1 2.841,2 2.841,3 3.521,4 3.521,5 280.657,6 3.363,7 13.269,8 470,9 743.21,10 3.747,11 4.135,12 499.513,13 1.889,14 6.271,15 499.227,16 5.04,17 2.698,18 33.181,19 432.94,20 706.4,21 3.787,22 1.823,23 3.264,24 1.066,25 3.176,26 528.862,27 12.521,28 2.16,29 3.555,30 3.555,31 34,32 4.234,33 494,34 242.687,35 54.282,36 66.333,37 0.188,38 1.89,39 1.89,40 95.421,41 3.646,42 4.311,43 11.202,44 4.404,45 5.091,46 5.595,47 156.37,48 2.812,49 1.842,50 4.118,51 2.922,52 3.624,53 48.339,54 4.412,55 4.412,56 37241,57 13.263,58 5.355,59 3.561,60 3.566,61 5.034,62 2.366,63 13.023,64 13028,65 64.101,66 20.019,67 53,68 3.278,69 7.585}
{0 CHEMBL2206445,1 2.836,2 2.836,3 3.52,4 3.52,5 282.08,6 3.389,7 13.301,8 470,9 742.17,10 3.747,11 4.203,12 499.165,13 2.086,14 6.271,15 499.227,16 5.045,17 2.719,18 33.181,19 432.94,20 706.32,21 3.783,22 1.788,23 3.292,24 0.983,25 3.25,26 528.729,27 12.537,28 2.154,29 3.555,30 3.555,31 34,32 4.234,33 494,34 241.767,35 54.349,36 66.333,37 0.172,38 1.953,39 1.953,40 95.421,41 3.665,42 4.352,43 11.202,44 4.404,45 5.091,46 5.595,47 156.4,48 2.882,49 1.959,50 4.118,51 2.903,52 3.616,53 48.339,54 4.401,55 4.401,56 36249,57 13.266,58 5.356,59 3.561,60 3.564,61 4.997,62 2.469,63 13.138,64 12844,65 64.09,66 20.019,67 53,68 3.307,69 8.08}
{0 CHEMBL2206446,1 2.835,2 2.835,3 3.52,4 3.52,5 281.87,6 3.411,7 13.279,8 470,9 742.43,10 3.747,11 4.192,12 499.271,13 2.03,14 6.271,15 499.227,16 5.057,17 2.713,18 33.181,19 432.94,20 706.34,21 3.782,22 1.777,23 3.201,24 1.038,25 3.27,26 528.763,27 12.558,28 2.146,29 3.555,30 3.555,31 34,32 4.234,33 494,34 242.162,35 54.253,36 66.333,37 0.172,38 1.997,39 1.997,40 95.421,41 3.665,42 4.333,43 11.202,44 4.404,45 5.091,46 5.595,47 156.318,48 2.919,49 1.912,50 4.118,51 2.9,52 3.616,53 48.339,54 4.404,55 4.404,56 36249,57 13.265,58 5.363,59 3.561,60 3.564,61 5.034,62 2.484,63 13.075,64 12852,65 64.079,66 20.019,67 53,68 3.305,69 8.085}
{0 CHEMBL2206447,1 2.833,2 2.833,3 3.52,4 3.52,5 281.12,6 3.36,7 13.419,8 469,9 738.4,10 3.747,11 4.159,12 498.272,13 2.249,14 6.271,15 498.227,16 5.029,17 2.696,18 33.181,19 432.94,20 705.68,21 3.781,22 1.685,23 3.305,24 0.983,25 3.297,26 528.865,27 12.537,28 2.232,29 3.555,30 3.555,31 34,32 4.234,33 494,34 239.659,35 54.188,36 66.333,37 0.188,38 1.984,39 1.984,40 95.32,41 3.684,42 4.368,43 11.202,44 4.404,45 5.091,46 5.595,47 156.017,48 2.893,49 2.004,50 4.118,51 2.892,52 3.618,53 48.339,54 5.134,55 5.134,56 36809,57 13.245,58 5.304,59 3.561,60 3.565,61 5.034,62 2.541,63 13.044,64 12944,65 64.113,66 20.019,67 52,68 3.299,69 8.207}
{0 CHEMBL2206448,1 2.969,2 2.969,3 3.685,4 3.685,5 312.908,6 3.552,7 14.796,8 507,9 819.44,10 3.777,11 4.354,12 539.562,13 2.07,14 6.346,15 562.031,16 6.095,17 2.769,18 36.424,19 448.51,20 782.91,21 3.88,22 2,23 3.414,24 1.716,25 3.179,26 592.985,27 13.802,28 2.164,29 3.611,30 3.611,31 36,32 4.29,33 552,34 247.114,35 57.355,36 73,37 0.295,38 1.886,39 1.886,40 98.433,41 3.84,42 4.407,43 10.774,44 4.44,45 5.127,46 5.666,47 170.587,48 2.809,49 2.496,50 4.202,51 3.046,52 3.613,53 83.783,54 4.574,55 4.574,56 42767,57 13.395,58 5.572,59 3.561,60 3.564,61 5.066,62 2.36,63 13.883,64 14286,65 67.538,66 21.517,67 56,68 3.313,69 7.959}
{0 CHEMBL2206449,1 2.969,2 2.969,3 3.685,4 3.685,5 328.192,6 3.614,7 15.333,8 542,9 876.39,10 3.811,11 4.444,12 577.004,13 2.172,14 6.384,15 606.364,16 6.449,17 2.887,18 37.938,19 466.5,20 854.88,21 3.88,22 2,23 3.414,24 1.744,25 3.303,26 654.973,27 13.889,28 2.358,29 3.638,30 3.638,31 37,32 4.317,33 608,34 258.606,35 59.553,36 76.5,37 0.321,38 2.041,39 2.041,40 101.763,41 3.902,42 4.486,43 10.774,44 4.474,45 5.162,46 5.7,47 177.319,48 2.969,49 2.672,50 4.246,51 3.089,52 3.616,53 92.904,54 5.655,55 5.655,56 49884,57 13.457,58 5.574,59 3.561,60 3.565,61 5.03,62 2.484,63 14.023,64 15247,65 69.388,66 22.405,67 59,68 3.366,69 8.387}
{0 CHEMBL229429,1 2.125,2 2.125,3 2.989,4 2.989,5 117.95,6 2.878,7 7.483,8 300,9 461.22,10 3.239,11 3.101,12 322.778,13 0.799,14 5.841,15 306.625,16 2.768,17 2.472,18 17.695,19 260.28,20 486.53,21 3.097,22 0.142,23 1.344,24 0.208,25 2.739,26 379.798,27 1.806,28 0.852,29 2.996,30 2.996,31 19,32 3.664,33 352,34 126.623,35 28.366,36 40,37 0.029,38 0.548,39 0.548,40 59.472,41 3.128,42 3.267,43 5.873,44 3.927,45 4.61,46 4.934,47 73.889,48 1.431,49 0.65,50 3.559,51 1,52 3.131,53 49.308,54 0.638,55 0.638,56 12792,57 12.603,58 3.311,59 2.979,60 3.003,61 4.418,62 0.957,63 2.283,64 2804,65 38.525,66 12.368,67 22,68 0.997,69 5}
{0 CHEMBL2311108,1 2.756,2 2.756,3 3.298,4 3.298,5 210.992,6 3.081,7 11.075,8 319,9 493.41,10 3.445,11 4.035,12 339.638,13 1.38,14 6.065,15 333.178,16 4.275,17 2.361,18 27.267,19 339.42,20 479.26,21 3.753,22 0.719,23 2.601,24 1.194,25 2.781,26 366.564,27 12.006,28 1.568,29 3.332,30 3.332,31 27,32 4.007,33 336,34 166.918,35 42.759,36 54.5,37 0.049,38 1.317,39 1.317,40 74.148,41 3.446,42 3.879,43 8.813,44 4.111,45 4.796,46 5.352,47 122.033,48 2.317,49 1.485,50 3.781,51 2.198,52 3.462,53 6.371,54 2.88,55 2.88,56 17900,57 13.034,58 4.412,59 3.351,60 3.363,61 4.404,62 1.908,63 12.478,64 5976,65 51.328,66 17.497,67 40,68 2.318,69 5.361}
{0 CHEMBL257626,1 1.977,2 1.977,3 2.676,4 2.676,5 91.057,6 2.434,7 6.832,8 218,9 338.24,10 2.918,11 2.766,12 235.585,13 0.436,14 5.562,15 232.178,16 2.409,17 1.501,18 17.267,19 209.22,20 346.06,21 2.981,22 -0.5,23 1,24 0.535,25 0.911,26 275.263,27 2.409,28 -1,29 2.773,30 2.773,31 15,32 3.434,33 248,34 93.752,35 24.612,36 34.5,38 -0.502,39 -0.502,40 43.678,41 2.259,42 3.182,43 5.255,44 3.597,45 4.277,46 4.779,47 69.867,48 0.503,49 0.655,50 3.32,51 0.586,52 2.835,53 6.371,54 -2,55 -2,56 5946,57 12.639,58 3.414,59 2.735,60 2.715,61 4.133,62 -0.639,63 4.14,64 1281,65 29.595,66 11.529,67 23,68 0.62,69 5.367}
{0 CHEMBL259435,1 3.099,2 3.099,3 3.58,4 3.58,5 254.258,6 3.1,7 12.598,8 418,9 662.78,10 3.565,11 4.161,12 443.599,13 1.594,14 6.249,15 448.784,16 5.144,17 2.689,18 29.648,19 371.39,20 631.06,21 4.069,22 1.261,23 3.279,24 1.368,25 2.969,26 480.893,27 11.29,28 1.966,29 3.434,30 3.434,31 30,32 4.111,33 442,34 211.859,35 49.883,36 61,37 0.049,38 1.524,39 1.524,40 80.749,41 3.685,42 4.085,43 9.943,44 4.263,45 4.949,46 5.517,47 151.173,48 2.504,49 1.65,50 3.995,51 2.743,52 3.486,53 27.858,54 3.329,55 3.329,56 25163,57 13.476,58 5.303,59 3.351,60 3.369,61 4.781,62 2.133,63 12.307,64 7349,65 57.408,66 17.959,67 50,68 2.742,69 6.676}
{0 CHEMBL268472,1 1.81,2 1.81,3 2.286,4 2.286,5 111.28,6 2.34,7 7.285,8 231,9 353.1,10 3.135,11 3.366,12 247.162,13 0.608,14 5.463,15 253.354,16 2.739,17 1.756,18 22.467,19 256.34,20 357.41,21 2.806,22 -0.078,23 1.315,24 0.604,25 2.043,26 278.22,27 4.92,28 0.289,29 2.944,30 2.944,31 18,32 3.611,33 254,34 103.52,35 27.289,36 41,37 0.033,38 0.904,39 0.904,40 54.73,41 2.708,42 3.328,43 5.533,44 3.562,45 4.241,46 4.86,47 68.431,48 1.899,49 0.781,50 3.432,51 1,52 3.145,53 12.92,54 0.499,55 0.499,56 7463,57 12.208,58 3.503,59 3.145,60 3.14,61 4.649,62 1.004,63 5.5,64 2411,65 30.72,66 14.994,67 22,68 1.08,69 3}
{0 CHEMBL268762,1 1.799,2 1.799,3 2.286,4 2.286,5 71.706,6 1.175,7 5.631,8 209,9 319.86,10 2.841,11 2.821,12 225.156,13 -0.401,14 5.303,15 231.354,16 1.998,17 1.376,18 15.967,19 186.19,20 327.61,21 2.753,22 -0.822,23 0.707,24 0.413,25 0.507,26 257.719,27 1.438,28 -1.269,29 2.639,30 2.639,31 13,32 3.296,33 234,34 82.52,35 21.073,36 31,38 -0.691,39 -0.691,40 39.502,41 0.316,42 2.817,43 4.447,44 3.409,45 4.086,46 4.595,47 55.002,48 0.259,49 0.377,50 3.187,52 2.757,53 12.92,54 -2,55 -2,56 4208,57 12.145,58 2.44,59 2.595,60 2.641,61 4.143,62 -0.773,63 2.138,64 876,65 24.371,66 10.019,67 16,68 0.461,69 3}
{0 CHEMBL273291,1 1.81,2 1.81,3 2.286,4 2.286,5 111.28,6 2.34,7 7.285,8 231,9 353.1,10 3.135,11 3.366,12 247.162,13 0.608,14 5.463,15 253.354,16 2.739,17 1.756,18 22.467,19 256.34,20 357.41,21 2.806,22 -0.078,23 1.315,24 0.604,25 2.043,26 278.22,27 4.92,28 0.289,29 2.944,30 2.944,31 18,32 3.611,33 254,34 103.52,35 27.289,36 41,37 0.033,38 0.904,39 0.904,40 54.73,41 2.708,42 3.328,43 5.533,44 3.562,45 4.241,46 4.86,47 68.431,48 1.899,49 0.781,50 3.432,51 1,52 3.145,53 12.92,54 0.499,55 0.499,56 7463,57 12.208,58 3.503,59 3.145,60 3.14,61 4.649,62 1.004,63 5.5,64 2411,65 30.72,66 14.994,67 22,68 1.08,69 3}
{0 CHEMBL275079,1 1.884,2 1.884,3 2.303,4 2.303,5 83.491,6 1,7 6.21,8 205,9 329.3,10 2.89,11 2.599,12 220.414,13 0.221,14 5.476,15 223.724,16 2.424,17 1.811,18 16.033,19 187.17,20 339.14,21 2.868,22 -0.878,23 1,24 0.347,25 0.668,26 271.063,27 0.735,28 -1.224,29 2.708,30 2.708,31 14,32 3.367,33 246,34 107.625,35 24.585,36 31.5,38 -0.376,39 -0.376,40 39.359,41 0.007,42 3.114,43 4.904,44 3.332,45 4.007,46 4.796,47 74.856,48 0.556,49 0.385,50 3.292,52 2.698,54 -2,55 -2,56 4218,57 12.801,58 3.227,59 2.524,60 2.562,61 4.187,62 -0.379,63 1.846,64 858,65 24.153,66 8.778,67 19,68 1.008,69 7.645}
{0 CHEMBL277961,1 2.439,2 2.439,3 3.121,4 3.121,5 122.441,6 2.569,7 8.442,8 281,9 445,10 3.396,11 3.227,12 301.825,13 0.461,14 5.815,15 268.149,16 3.43,17 1.71,18 19.533,19 257.2,20 423.14,21 3.436,22 -0.026,23 2,24 0.646,25 1.853,26 330.133,27 4.425,28 -0.527,29 2.944,30 2.944,31 18,32 3.611,33 296,34 162.443,35 30.538,36 39.167,38 0.65,39 0.65,40 57.447,41 2.56,42 3.564,43 7.17,44 3.818,45 4.5,46 5.03,47 94.96,48 1.646,49 0.833,50 3.696,51 1.576,52 3.055,53 6.728,54 -1.209,55 -1.209,56 8316,57 13.152,58 4.274,59 2.994,60 3,61 4.513,62 0.758,63 6.969,64 1869,65 35.585,66 12.431,67 29,68 1.83,69 4.523}
{0 CHEMBL280563,1 1.705,2 1.705,3 2.098,4 2.098,5 55.573,6 0.452,7 4.911,8 151,9 233.34,10 2.663,11 2.383,12 162.245,13 -0.642,14 5.136,15 164.967,16 1.847,17 0.614,18 13.867,19 159.16,20 261.86,21 2.714,24 0.222,25 0.39,26 216.424,27 0.556,28 -1.365,29 2.485,30 2.485,31 11,32 3.135,33 194,34 70.921,35 18.128,36 26.5,38 -1,39 -1,40 32.818,41 0.007,42 2.63,43 3.239,44 3.045,45 3.714,46 4.466,47 49.49,48 -0.002,49 0.29,50 2.927,52 2.626,54 -2.424,55 -2.424,56 2838,57 11.999,58 2.358,59 2.338,60 2.402,61 4.022,62 -1.268,63 1.447,64 528,65 18.698,66 8.331,67 13,68 0.378,69 6.365}
{0 CHEMBL284193,1 2.115,2 2.115,3 2.651,4 2.651,5 82.721,6 1,7 6.323,8 213,9 331.96,10 2.892,11 3.288,12 228.844,13 0.416,14 5.429,15 233.634,16 2.548,17 1.778,18 17.5,19 203.17,20 371.94,21 3.123,22 -0.834,23 1,24 0.444,25 0.78,26 308.249,27 1.098,28 -1.266,29 2.708,30 2.708,31 14,32 3.367,33 276,34 95.243,35 23.647,36 34.5,38 -0.334,39 -0.334,40 42.001,41 0.014,42 3.192,43 4.198,44 3.332,45 4.007,46 4.727,47 65.86,48 0.647,49 0.409,50 3.223,52 2.856,54 -2,55 -2,56 6000,57 12.453,58 3,59 2.503,60 2.596,61 3.795,62 -0.343,63 2.215,64 961,65 24.436,66 10.948,67 19,68 0.713,69 6.959}
{0 CHEMBL287831,1 2.846,2 2.846,3 3.511,4 3.511,5 244.058,6 3.139,7 11.949,8 393,9 620.74,10 3.522,11 4.141,12 416.125,13 1.609,14 6.206,15 414.451,16 4.629,17 2.703,18 28.133,19 353.4,20 567.53,21 3.84,22 0.951,23 2.883,24 1.427,25 3.062,26 422.813,27 12.264,28 2.006,29 3.401,30 3.401,31 29,32 4.078,33 390,34 199.736,35 48.535,36 57.5,37 0.037,38 1.702,39 1.702,40 77.488,41 3.427,42 4.132,43 10.257,44 4.248,45 4.934,46 5.476,47 144.566,48 2.704,49 1.51,50 3.924,51 2.569,52 3.384,53 31.043,54 3.316,55 3.316,56 20296,57 13.359,58 5.147,59 3.232,60 3.226,61 5.014,62 2.103,63 12.796,64 6598,65 55.899,66 17.07,67 51,68 2.678,69 7.469}
{0 CHEMBL288635,1 2.199,2 2.199,3 2.7,4 2.7,5 95.086,6 1.849,7 7.033,8 221,9 343.66,10 2.955,11 3.312,12 238.939,13 0.421,14 5.509,15 241.845,16 2.754,17 2.059,18 18.8,19 217.2,20 381.5,21 3.205,22 -0.754,23 1,24 0.444,25 0.511,26 315.667,27 1.18,28 -1,29 2.773,30 2.773,31 15,32 3.434,33 282,34 101.074,35 26.029,36 36.5,38 -0.713,39 -0.713,40 44.372,41 0.014,42 3.437,43 5.06,44 3.401,45 4.078,46 4.812,47 74.48,48 0.252,49 0.555,50 3.416,51 1,52 2.896,54 -2,55 -2,56 6375,57 12.554,58 3.775,59 2.566,60 2.65,61 3.671,62 -0.718,63 2.732,64 1106,65 26.817,66 11.942,67 23,68 1.135,69 4.056}
{0 CHEMBL292553,1 2.508,2 2.508,3 3.045,4 3.045,5 143.683,6 2.721,7 8.966,8 257,9 398.65,10 3.242,11 3.454,12 276.137,13 1,14 5.76,15 273.643,16 3.342,17 2.397,18 23.267,19 278.34,20 405.57,21 3.507,22 0.453,23 1.924,24 0.59,25 2.5,26 318.231,27 5.719,28 0.958,29 3.091,30 3.091,31 21,32 3.761,33 290,34 130.221,35 33.313,36 45,37 0.025,38 1,39 1,40 59.662,41 3.079,42 3.563,43 6.957,44 3.773,45 4.454,46 5.094,47 93.713,48 2,49 1.052,50 3.636,51 1.555,52 3.214,53 6.31,54 2.136,55 2.136,56 11185,57 12.643,58 3.813,59 3.103,60 3.143,61 4.649,62 1.5,63 6.824,64 3366,65 38.183,66 14.817,67 29,68 1.745,69 4.215}
{0 CHEMBL293434,1 2.74,2 2.74,3 3.2,4 3.2,5 210.164,6 2.976,7 11.227,8 336,9 523.07,10 3.458,11 3.871,12 359.519,13 1.497,14 6.058,15 352.643,16 4.197,17 2.48,18 27.367,19 340.41,20 505.21,21 3.71,22 0.806,23 2.531,24 0.865,25 2.879,26 385.623,27 10.009,28 1.597,29 3.332,30 3.332,31 27,32 4.007,33 354,34 168.387,35 42.891,36 55,37 0.074,38 1.448,39 1.448,40 74.561,41 3.583,42 3.893,43 9.115,44 4.127,45 4.812,46 5.352,47 122.14,48 2.449,49 1.433,50 3.856,51 2.144,52 3.381,53 12.681,54 3.021,55 3.021,56 19254,57 12.972,58 4.431,59 3.142,60 3.194,61 4.756,62 1.957,63 9.966,64 6206,65 51.696,66 17.459,67 40,68 2.317,69 4.444}
{0 CHEMBL296054,1 1.878,2 1.878,3 2.265,4 2.265,5 84.248,6 1.425,7 6.288,8 184,9 290.97,10 2.862,11 2.486,12 197.368,13 0.292,14 5.451,15 198.178,16 2.403,17 1.349,18 15.867,19 185.2,20 297.2,21 2.885,22 -0.885,23 1,24 0.222,25 0.495,26 237.857,27 0.84,28 -1.267,29 2.708,30 2.708,31 14,32 3.367,33 214,34 101.918,35 24.619,36 30.5,38 -0.602,39 -0.602,40 38.35,41 0.007,42 3.129,43 5.203,44 3.332,45 4.007,46 4.86,47 76.332,48 0.365,49 0.511,50 3.302,52 2.645,54 -2,55 -2,56 3599,57 12.692,58 3.32,59 2.538,60 2.527,61 4.252,62 -0.604,63 2.316,64 843,65 24.637,66 8.815,67 19,68 1.509,69 6.481}
{0 CHEMBL297150,1 1.802,2 1.802,3 2.098,4 2.098,5 76.28,6 0.522,7 6.102,8 190,9 296.68,10 2.846,11 2.704,12 207.031,13 -0.345,14 5.338,15 208.126,16 2.234,17 1.319,18 16.667,19 189.2,20 315.62,21 2.779,22 -0.89,23 1,24 0.222,25 0.494,26 257.547,27 0.794,28 -1.267,29 2.639,30 2.639,31 13,32 3.296,33 230,34 89.97,35 22.585,36 31.5,38 -0.786,39 -0.786,40 38.702,41 0.007,42 3.166,43 4.471,44 3.219,45 3.892,46 4.673,47 64.483,48 0.191,49 0.345,50 3.286,52 2.728,53 3.002,54 -2,55 -2,56 3966,57 12.404,58 2.539,59 2.498,60 2.536,61 4.168,62 -0.795,63 1.663,64 752,65 22.511,66 10.238,67 19,68 0.74,69 5.319}
{0 CHEMBL29726,1 1.517,2 1.517,3 1.889,4 1.889,5 66.297,6 0.5,7 5.556,8 160,9 247.82,10 2.741,11 2.414,12 173.041,13 -0.446,14 5.242,15 174.178,16 2.043,17 0.773,18 15.167,19 173.19,20 271.96,21 2.525,24 0.222,25 0.447,26 223.702,27 0.598,28 -1.279,29 2.565,30 2.565,31 12,32 3.219,33 200,34 77.752,35 20.333,36 28.5,38 -1,39 -1,40 35.289,41 0.007,42 2.873,43 4.151,44 3.135,45 3.807,46 4.575,47 57.404,49 0.403,50 3.178,52 2.619,54 -2.264,55 -2.264,56 3081,57 12.301,58 2.409,59 2.502,60 2.53,61 4.089,62 -1.218,63 1.764,64 629,65 20.758,66 9.323,67 16,68 0.784,69 4.886}
{0 CHEMBL299683,1 1.977,2 1.977,3 2.676,4 2.676,5 91.057,6 2.434,7 6.832,8 218,9 338.24,10 2.918,11 2.766,12 235.585,13 0.436,14 5.562,15 232.178,16 2.409,17 1.501,18 17.267,19 209.22,20 346.06,21 2.981,22 -0.5,23 1,24 0.535,25 0.911,26 275.263,27 2.409,28 -1,29 2.773,30 2.773,31 15,32 3.434,33 248,34 93.752,35 24.612,36 34.5,38 -0.502,39 -0.502,40 43.678,41 2.259,42 3.182,43 5.255,44 3.597,45 4.277,46 4.779,47 69.867,48 0.503,49 0.655,50 3.32,51 0.586,52 2.835,53 6.371,54 -2,55 -2,56 5946,57 12.639,58 3.414,59 2.735,60 2.715,61 4.133,62 -0.639,63 4.14,64 1281,65 29.595,66 11.529,67 23,68 0.62,69 4.297}
{0 CHEMBL302411,1 2.741,2 2.741,3 3.069,4 3.069,5 189.507,6 3.085,7 10.52,8 318,9 497.15,10 3.388,11 3.703,12 340.423,13 1.403,14 6.019,15 334.643,16 3.921,17 2.469,18 25.367,19 314.37,20 479.29,21 3.711,22 0.722,23 2.375,24 0.788,25 2.773,26 366.527,27 7.975,28 1.652,29 3.258,30 3.258,31 25,32 3.932,33 336,34 160.387,35 40.29,36 51,37 0.025,38 1.355,39 1.355,40 68.561,41 3.409,42 3.804,43 8.615,44 4.103,45 4.787,46 5.293,47 116.568,48 2.349,49 1.324,50 3.805,51 2,52 3.357,53 11.456,54 2.822,55 2.822,56 15669,57 13.021,58 4.428,59 3.147,60 3.193,61 4.784,62 1.9,63 8.64,64 4914,65 48.54,66 15.779,67 38,68 2.236,69 4.699}
{0 CHEMBL304919,1 2.722,2 2.722,3 3.298,4 3.298,5 222.719,6 3.037,7 11.581,8 335,9 519.68,10 3.494,11 3.985,12 358.163,13 1.413,14 6.067,15 351.643,16 4.363,17 2.398,18 28.667,19 354.44,20 506.6,21 3.694,22 0.812,23 2.826,24 0.861,25 2.781,26 387.712,27 11.874,28 1.661,29 3.367,30 3.367,31 28,32 4.043,33 356,34 172.387,35 44.024,36 57,37 0.049,38 1.357,39 1.357,40 77.561,41 3.789,42 3.949,43 9.372,44 4.127,45 4.812,46 5.38,47 125.461,48 2.352,49 1.571,50 3.885,51 2.198,52 3.388,53 9.495,54 2.88,55 2.88,56 20193,57 12.922,58 4.445,59 3.231,60 3.239,61 4.47,62 1.908,63 11.559,64 6673,65 53.128,66 18.428,67 41,68 2.564,69 4.428}
{0 CHEMBL305406,1 2.56,2 2.56,3 3.232,4 3.232,5 209.849,6 3.053,7 11.05,8 360,9 560.815,10 3.5195,11 3.7595,12 383.569,13 1.461,14 6.0675,15 374.4115,16 4.0625,17 2.472,18 27.393,19 354.4,20 522.96,21 3.5285,22 1.084,23 2.65,24 0.863,25 2.881,26 387.7005,27 8.6905,28 1.6365,29 3.367,30 3.367,31 28,32 4.043,33 361,34 176.1035,35 42.616,36 55.5,37 0.103,38 1.4585,39 1.4585,40 78.5685,41 3.36,42 3.8915,43 9.1635,44 4.159,45 4.844,46 5.3565,47 117.814,48 2.434,49 1.34,50 3.8755,51 2.1925,52 3.426,53 42.26,54 2.8285,55 2.8285,56 20827.5,57 12.915,58 4.471,59 3.328,60 3.3345,61 4.7835,62 1.965,63 9.4845,64 7375,65 52.375,66 17.4455,67 39,68 2.1845,69 6.959}
{0 CHEMBL313713,1 1.732,2 1.732,3 2.303,4 2.303,5 83.081,6 1.586,7 6.543,8 246,9 387.44,10 2.938,11 3.168,12 268.415,13 0.372,14 5.429,15 274.651,16 2.316,17 2.632,18 17.533,19 203.18,20 399.2,21 2.741,22 -0.675,23 1,24 0.524,25 0.473,26 319.085,27 0.933,28 -1,29 2.708,30 2.708,31 14,32 3.367,33 288,34 98.342,35 23.297,36 34.5,38 -0.781,39 -0.781,40 42.517,41 0.007,42 3.039,43 4.864,44 3.332,45 4.007,46 4.727,47 66.239,48 0.241,49 0.34,50 3.369,52 2.884,53 11.219,54 -2.346,55 -2.346,56 5602,57 12.439,58 2.969,59 2.538,60 2.606,61 4.143,62 -0.934,63 1.946,64 999,65 24.586,66 10.909,67 19,68 0.461,69 4.398}
{0 CHEMBL315663,1 1.801,2 1.801,3 2.286,4 2.286,5 96.039,6 2.319,7 6.578,8 223,9 341.58,10 3.027,11 3.267,12 238.839,13 0.423,14 5.402,15 245.354,16 2.447,17 1.711,18 19.867,19 228.28,20 345.89,21 2.763,22 -0.338,23 1.076,24 0.604,25 1.447,26 269.896,27 3.544,28 -0.213,29 2.833,30 2.833,31 16,32 3.497,33 246,34 95.52,35 24.798,36 37,38 0.33,39 0.33,40 48.73,41 2.042,42 3.225,43 5.033,44 3.504,45 4.182,46 4.762,47 63.344,48 1.314,49 0.629,50 3.341,51 0.71,52 2.872,53 12.92,54 -0.388,55 -0.388,56 5817,57 12.197,58 3.37,59 2.824,60 2.813,61 4.539,62 0.362,63 4.119,64 1609,65 28.172,66 13.002,67 20,68 0.867,69 3}
{0 CHEMBL318029,1 2.783,2 2.783,3 3.58,4 3.58,5 238.661,6 3.086,7 11.931,8 381,9 597.07,10 3.522,11 4.063,12 403.97,13 1.591,14 6.175,15 402.451,16 4.595,17 2.678,18 28.133,19 353.4,20 557.74,21 3.778,22 0.912,23 2.853,24 1.257,25 2.968,26 418.721,27 11.221,28 1.966,29 3.401,30 3.401,31 29,32 4.078,33 386,34 193.569,35 47.277,36 57.5,37 0.049,38 1.524,39 1.524,40 77.863,41 3.453,42 3.999,43 9.943,44 4.22,45 4.905,46 5.46,47 139.517,48 2.504,49 1.502,50 3.909,51 2.552,52 3.466,53 27.858,54 3.329,55 3.329,56 21124,57 13.227,58 4.938,59 3.352,60 3.365,61 4.781,62 2.112,63 12.203,64 6790,65 55.377,66 17.07,67 47,68 2.71,69 6.699}
{0 CHEMBL318309,1 2.532,2 2.532,3 3.481,4 3.481,5 228.223,6 3.004,7 11.632,8 392,9 601.9,10 3.724,11 4.116,12 418.321,13 1.29,14 6.182,15 374.165,16 4.457,17 2.158,18 28.1,19 378.53,20 543.62,21 3.504,22 1.534,23 3.041,24 0.979,25 2.895,26 399.13,27 13.023,28 1.767,29 3.401,30 3.401,31 29,32 4.078,33 368,34 212.335,35 44.398,36 57,37 0.066,38 1.45,39 1.45,40 88.281,41 3.666,42 4.042,43 10.823,44 4.337,45 5.024,46 5.389,47 123.006,48 2.426,49 1.474,50 3.974,51 2.456,52 3.726,53 35.112,54 2.753,55 2.753,56 21441,57 13.244,58 4.257,59 3.727,60 3.679,61 4.956,62 2.061,63 12.617,64 7999,65 59.452,66 19.033,67 42,68 2.713,69 6.699}
{0 CHEMBL319612,1 2.532,2 2.532,3 3.466,4 3.466,5 224.612,6 2.956,7 11.62,8 391,9 603.08,10 3.732,11 4.05,12 416.98,13 1.295,14 6.154,15 375.438,16 4.542,17 2.278,18 28.867,19 382.52,20 557.44,21 3.504,22 1.534,23 3.041,24 0.826,25 2.894,26 414.479,27 11.854,28 1.5,29 3.401,30 3.401,31 29,32 4.078,33 382,34 214.66,35 44.41,36 58,37 0.12,38 1.459,39 1.459,40 88.859,41 3.563,42 4.051,43 10.884,44 4.311,45 4.997,46 5.389,47 122.928,48 2.434,49 1.481,50 3.99,51 2.483,52 3.726,53 31.927,54 2.589,55 2.589,56 23918,57 13.201,58 4.27,59 3.726,60 3.678,61 4.816,62 2.06,63 12.418,64 8503,65 58.384,66 19.248,67 42,68 2.69,69 4.523}
{0 CHEMBL320151,1 2.532,2 2.532,3 3.464,4 3.464,5 228.223,6 2.967,7 11.632,8 397,9 615.36,10 3.736,11 4.141,12 423.767,13 1.334,14 6.154,15 386.165,16 4.632,17 2.251,18 28.914,19 384.51,20 584.42,21 3.503,22 1.534,23 3.041,24 0.979,25 2.888,26 439.942,27 12.704,28 1.762,29 3.401,30 3.401,31 29,32 4.078,33 406,34 216.409,35 44.398,36 58.5,37 0.066,38 1.45,39 1.45,40 89.147,41 3.699,42 4.08,43 10.145,44 4.311,45 4.997,46 5.389,47 123.006,48 2.425,49 1.703,50 3.998,51 2.456,52 3.726,53 31.927,54 2.753,55 2.753,56 23506,57 13.203,58 4.257,59 3.726,60 3.678,61 4.887,62 2.051,63 11.685,64 7999,65 58.408,66 19.223,67 42,68 2.726,69 6.745}
{0 CHEMBL320292,1 2.644,2 2.644,3 3.447,4 3.447,5 259.593,6 3.391,7 13.946,8 486,9 766.33,10 3.841,11 4.219,12 521.417,13 1.587,14 6.257,15 501.619,16 6.638,17 2.647,18 33.41,19 436.49,20 769.74,21 3.588,22 1.821,23 3.221,24 1.188,25 2.936,26 599.265,27 11.652,28 2.073,29 3.497,30 3.497,31 32,32 4.174,33 550,34 245.646,35 47.57,36 68.5,37 0.169,38 1.526,39 1.526,40 98.753,41 4.051,42 4.267,43 10.462,44 4.376,45 5.063,46 5.501,47 136.95,48 2.499,49 1.607,50 4.181,51 2.717,52 3.76,53 89.865,54 3.139,55 3.139,56 39787,57 13.29,58 5.132,59 3.743,60 3.689,61 5.012,62 2.106,63 11.433,64 10918,65 62.983,66 21.982,67 42,68 2.667,69 6.208}
{0 CHEMBL321746,1 2.686,2 2.686,3 3.44,4 3.44,5 232.811,6 3.188,7 12.783,8 440,9 696.33,10 3.782,11 4.216,12 471.166,13 1.359,14 6.13,15 456.529,16 6.221,17 2.568,18 33.21,19 416.51,20 703.17,21 3.611,22 1,23 2.716,24 1.181,25 2.916,26 550.744,27 13.29,28 1.758,29 3.401,30 3.401,31 29,32 4.078,33 504,34 229.979,35 43.989,36 64.5,37 0.136,38 1.496,39 1.496,40 92.147,41 4.038,42 4.266,43 9.575,44 4.205,45 4.89,46 5.407,47 124.919,48 2.455,49 1.591,50 4.128,51 2.473,52 3.535,53 86.679,54 2.766,55 2.766,56 27975,57 13.218,58 4.931,59 3.553,60 3.537,61 4.922,62 2.081,63 12.757,64 7873,65 53.848,66 22.355,67 40,68 2.434,69 7.796}
{0 CHEMBL321968,1 2.709,2 2.709,3 3.44,4 3.44,5 240.277,6 3.263,7 13.251,8 448,9 709.13,10 3.801,11 4.204,12 479.042,13 1.419,14 6.158,15 464.529,16 6.349,17 2.583,18 32.61,19 414.49,20 712.79,21 3.636,22 1.078,23 3,24 1.118,25 2.919,26 556.433,27 12.377,28 1.772,29 3.434,30 3.434,31 30,32 4.111,33 510,34 237.979,35 44.604,36 64.5,37 0.09,38 1.502,39 1.502,40 92.661,41 4.031,42 4.237,43 9.895,44 4.234,45 4.92,46 5.451,47 131.205,48 2.46,49 1.51,50 4.161,51 2.666,52 3.665,53 86.679,54 2.826,55 2.826,56 29681,57 13.228,58 4.984,59 3.688,60 3.66,61 4.987,62 2.086,63 11.164,64 8683,65 55.972,66 20.79,67 38,68 2.579,69 7.62}
{0 CHEMBL322465,1 3,2 3,3 3.44,4 3.44,5 233.042,6 3.383,7 13.964,8 510,9 822.61,10 3.804,11 4.241,12 548.403,13 1.457,14 6.193,15 553.619,16 7.596,17 2.785,18 33.852,19 428.39,20 884.41,21 3.826,22 0.994,23 2.718,24 1.319,25 2.922,26 715.841,27 10.588,28 1.787,29 3.401,30 3.401,31 29,32 4.078,33 652,34 241.289,35 44.001,36 69,37 0.235,38 1.504,39 1.504,40 92.776,41 4.097,42 4.237,43 8.451,44 4.234,45 4.92,46 5.442,47 132.653,48 2.461,49 1.388,50 4.232,51 2.455,52 3.549,53 131.56,54 2.813,55 2.813,56 43765,57 13.322,58 5.155,59 3.25,60 3.304,61 4.975,62 2.091,63 10.16,64 7957,65 55.072,66 22.162,67 38,68 2.29,69 7}
{0 CHEMBL322588,1 2.667,2 2.667,3 3.44,4 3.44,5 221.75,6 3.112,7 12.614,8 435,9 688.01,10 3.755,11 4.176,12 466.409,13 1.352,14 6.115,15 451.529,16 6.065,17 2.552,18 31.91,19 402.48,20 696.87,21 3.593,22 1,23 2.715,24 1.181,25 2.913,26 546.801,27 12.024,28 1.749,29 3.367,30 3.367,31 28,32 4.043,33 500,34 224.646,35 42.644,36 62.5,37 0.087,38 1.494,39 1.494,40 88.919,41 3.964,42 4.229,43 9.186,44 4.19,45 4.875,46 5.38,47 122.024,48 2.454,49 1.502,50 4.106,51 2,52 3.488,53 86.679,54 2.758,55 2.758,56 26360,57 13.21,58 4.742,59 3.5,60 3.485,61 5.121,62 2.071,63 11.663,64 7104,65 52.657,66 21.366,67 38,68 2.359,69 7.745}
{0 CHEMBL323080,1 2.521,2 2.521,3 3.447,4 3.447,5 218.303,6 2.932,7 11.551,8 396,9 608.15,10 3.74,11 3.995,12 423.23,13 1.337,14 6.129,15 383.619,16 4.423,17 2.447,18 28.867,19 382.52,20 565.48,21 3.49,22 1.534,23 3.024,24 0.868,25 2.909,26 419.033,27 11.129,28 1.5,29 3.401,30 3.401,31 29,32 4.078,33 388,34 210.989,35 43.3,36 58,37 0.124,38 1.481,39 1.481,40 89.624,41 3.413,42 3.966,43 10.53,44 4.297,45 4.984,46 5.371,47 117.717,48 2.447,49 1.387,50 3.979,51 2.48,52 3.763,53 44.985,54 2.603,55 2.603,56 25238,57 13.137,58 4.232,59 3.744,60 3.693,61 4.915,62 2.077,63 11.505,64 9091,65 57.74,66 19.248,67 39,68 2.571,69 5.678}
{0 CHEMBL323138,1 2.532,2 2.532,3 3.466,4 3.466,5 224.612,6 2.956,7 11.62,8 379,9 581.44,10 3.728,11 4.049,12 404.061,13 1.292,14 6.154,15 361.165,16 4.45,17 2.276,18 28.7,19 380.55,20 527.76,21 3.504,22 1.534,23 3.041,24 0.826,25 2.894,26 387.689,27 13.001,28 1.5,29 3.401,30 3.401,31 29,32 4.078,33 358,34 212.335,35 44.41,36 57,37 0.12,38 1.459,39 1.459,40 88.281,41 3.535,42 4.037,43 10.884,44 4.311,45 4.997,46 5.389,47 122.928,48 2.435,49 1.586,50 3.981,51 2.483,52 3.726,53 31.927,54 2.589,55 2.589,56 21742,57 13.201,58 4.27,59 3.726,60 3.679,61 4.812,62 2.06,63 14.075,64 8503,65 58.384,66 19.286,67 42,68 2.805,69 5.854}
{0 CHEMBL323541,1 2.999,2 2.999,3 3.497,4 3.497,5 270.296,6 3.371,7 14.747,8 516,9 817.99,10 3.869,11 4.334,12 554.833,13 1.804,14 6.283,15 542.529,16 7.023,17 2.9,18 36.843,19 460.52,20 829.69,21 3.827,22 1.109,23 3.211,24 1.361,25 2.949,26 651.691,27 14.52,28 1.932,29 3.497,30 3.497,31 32,32 4.174,33 596,34 257.179,35 49.541,36 72.5,37 0.227,38 1.692,39 1.692,40 100.753,41 4.225,42 4.37,43 10.624,44 4.317,45 5.004,46 5.533,47 145.272,48 2.612,49 1.655,50 4.246,51 2.716,52 3.627,53 97.679,54 3.364,55 3.364,56 41921,57 13.439,58 5.193,59 3.534,60 3.547,61 5.106,62 2.094,63 12.955,64 10436,65 60.2,66 24.966,67 46,68 2.526,69 7.056}
{0 CHEMBL325140,1 2.532,2 2.532,3 3.567,4 3.567,5 241.035,6 3.222,7 12.059,8 379,9 591.31,10 3.556,11 3.935,12 400.526,13 1.605,14 6.152,15 400.24,16 4.64,17 2.678,18 29.433,19 367.43,20 558.62,21 3.517,22 1.265,23 2.939,24 0.709,25 2.969,26 419.789,27 11.795,28 1.966,29 3.434,30 3.434,31 30,32 4.111,33 388,34 193.572,35 47.743,36 59.5,37 0.173,38 1.528,39 1.528,40 81.331,41 3.789,42 3.968,43 10.003,44 4.22,45 4.905,46 5.468,47 137.359,48 2.506,49 1.48,50 3.916,51 2.724,52 3.424,53 27.858,54 3.329,55 3.329,56 25213,57 13.076,58 4.968,59 3.328,60 3.326,61 4.918,62 2.167,63 12.271,64 8225,65 56.255,66 18.021,67 45,68 3.027,69 6.699}
{0 CHEMBL325500,1 2.42,2 2.42,3 3.067,4 3.067,5 125.69,6 2.558,7 8.119,8 237,9 367.81,10 3.129,11 3.497,12 254.068,13 0.627,14 5.734,15 251.178,16 3.099,17 2.136,18 20.567,19 249.29,20 372.57,21 3.42,22 0.296,23 1.764,24 0.681,25 2.5,26 293.14,27 5.348,28 -0.074,29 2.996,30 2.996,31 19,32 3.664,33 266,34 120.918,35 30.719,36 40.5,38 1,39 1,40 53.249,41 2.189,42 3.444,43 6.08,44 3.726,45 4.407,46 5.017,47 87.063,48 2,49 0.933,50 3.458,51 1.4,52 2.999,53 3.186,54 -0.188,55 -0.188,56 8371,57 12.787,58 3.633,59 2.825,60 2.844,61 4.476,62 1.469,63 6.467,64 2382,65 34.829,66 12.9,67 27,68 1.305,69 5}
{0 CHEMBL327783,1 2.252,2 2.252,3 2.88,4 2.88,5 138.16,6 2.618,7 7.718,8 292,9 461.31,10 3.199,11 3.443,12 309.376,13 1.211,14 5.794,15 315.587,16 3.005,17 2.442,18 19.967,19 247.27,20 423.89,21 3.208,22 0.26,23 2,24 0.771,25 2.106,26 313.837,27 5.199,28 0.673,29 3.045,30 3.045,31 20,32 3.714,33 292,34 140.621,35 33.41,36 40.5,38 0.944,39 0.944,40 55.865,41 1.984,42 3.584,43 6.826,44 3.818,45 4.5,46 5.081,47 95.001,48 1.904,49 0.73,50 3.53,51 1.721,52 3.124,53 86.482,54 1.153,55 1.153,56 7486,57 13.056,58 3.929,59 2.964,60 2.994,61 4.607,62 1.038,63 5.204,64 2413,65 36.555,66 11.54,67 31,68 1.624,69 4}
{0 CHEMBL330097,1 1.951,2 1.951,3 2.331,4 2.331,5 94.294,6 1.275,7 6.668,8 206,9 328.99,10 2.937,11 2.78,12 220.142,13 0.349,14 5.553,15 222.451,16 2.712,17 1.871,18 17.333,19 201.2,20 337.4,21 2.943,22 -0.796,23 1.097,24 0.458,25 0.83,26 270.832,27 1.087,28 -0.908,29 2.773,30 2.773,31 15,32 3.434,33 244,34 114.466,35 26.781,36 33.5,38 -0.288,39 -0.288,40 41.552,41 0.014,42 3.281,43 5.457,44 3.401,45 4.078,46 4.875,47 82.308,48 0.699,49 0.536,50 3.362,51 1,52 2.827,54 -2,55 -2,56 4759,57 12.91,58 3.316,59 2.577,60 2.642,61 4.404,62 -0.298,63 2.688,64 1013,65 25.913,66 9.739,67 23,68 1.522,69 6.959}
{0 CHEMBL331753,1 2.071,2 2.071,3 2.161,4 2.161,5 92.315,6 0.944,7 7.009,8 181,9 283.79,10 2.945,11 3.284,12 195.948,13 0.048,14 5.481,15 195.178,16 2.551,17 1.921,18 19.067,19 215.28,20 297.66,21 3.071,22 -0.785,23 1,24 0.493,25 0.577,26 241.104,27 4.274,28 -0.768,29 2.773,30 2.773,31 15,32 3.434,33 216,34 98.918,35 25.631,36 34.5,38 -0.494,39 -0.494,40 43.278,41 0.927,42 3.335,43 4.474,44 3.332,45 4.007,46 4.812,47 72.7,48 0.488,49 0.793,50 3.285,51 1,52 2.995,54 -2,55 -2,56 4274,57 12.64,58 3.248,59 2.678,60 2.759,61 4.203,62 -0.5,63 5.362,64 1176,65 25.023,66 12.304,67 22,68 1.027,69 5.796}
{0 CHEMBL332141,1 2.478,2 2.478,3 2.522,4 2.522,5 106.665,6 1.748,7 7.412,8 195,9 305.49,10 3.045,11 3.385,12 208.953,13 0.443,14 5.561,15 209.178,16 2.846,17 2.14,18 19.767,19 227.29,20 313.94,21 3.478,22 -0.382,23 1.429,24 0.57,25 1,26 250.409,27 4.828,28 -0.232,29 2.89,30 2.89,31 17,32 3.555,33 226,34 112.918,35 27.924,36 36.5,40 47.249,41 1.603,42 3.375,43 5.58,44 3.434,45 4.111,46 4.99,47 80.509,48 1,49 0.834,50 3.339,51 1,52 2.996,54 -0.683,55 -0.683,56 5348,57 12.69,58 3.52,59 2.679,60 2.759,61 4.438,63 5.893,64 1702,65 27.478,66 11.711,67 23,68 1.369,69 5}
{0 CHEMBL333487,1 2.784,2 2.784,3 3.298,4 3.298,5 217.479,6 3.086,7 11.409,8 323,9 498.59,10 3.482,11 3.925,12 343.581,13 1.38,14 6.081,15 337.178,16 4.397,17 2.361,18 28.567,19 353.45,20 484.98,21 3.781,22 0.879,23 2.702,24 0.861,25 2.781,26 370.64,27 12.522,28 1.633,29 3.367,30 3.367,31 28,32 4.043,33 340,34 170.918,35 44.084,36 56.5,37 0.074,38 1.363,39 1.363,40 77.148,41 3.753,42 3.869,43 9.153,44 4.127,45 4.812,46 5.38,47 124.32,48 2.366,49 1.563,50 3.811,51 2.288,52 3.488,53 6.371,54 2.88,55 2.88,56 20473,57 13.034,58 4.362,59 3.42,60 3.42,61 4.523,62 1.908,63 13.23,64 7055,65 52.504,66 18.466,67 41,68 2.349,69 5}
{0 CHEMBL333771,1 2.637,2 2.637,3 3.081,4 3.081,5 143.376,6 2.698,7 9.087,8 275,9 426.1,10 3.291,11 3.541,12 294.398,13 0.724,14 5.824,15 282.041,16 3.413,17 2.488,18 22.952,19 297.76,20 449.62,21 3.6,22 0.399,23 2,24 0.757,25 2.627,26 359.285,27 6.134,28 0.622,29 3.091,30 3.091,31 21,32 3.761,33 326,34 141.677,35 34.215,36 44.833,37 0.025,38 1.188,39 1.188,40 61.787,41 3.382,42 3.611,43 7.025,44 3.818,45 4.5,46 5.118,47 96.588,48 2.173,49 1.005,50 3.659,51 1.658,52 3.337,53 6.686,54 1.362,55 1.362,56 13147,57 12.862,58 4.261,59 3.003,60 3.023,61 4.892,62 1.57,63 8.249,64 3356,65 38.205,66 15.135,67 30,68 1.557,69 6.745}
{0 CHEMBL334160,1 1.838,2 1.838,3 2.264,4 2.264,5 64.91,6 0.811,7 5.361,8 160,9 249.08,10 2.741,11 2.691,12 171.912,13 -0.03,14 5.242,15 173.967,16 2.027,17 0.765,18 15.167,19 173.19,20 272.04,21 2.847,24 0.222,25 0.436,26 222.928,27 1.174,28 -1.342,29 2.565,30 2.565,31 12,32 3.219,33 200,34 79.921,35 20.348,36 28.5,38 -1,39 -1,40 35.383,41 0.007,42 2.94,43 3.754,44 3.135,45 3.807,46 4.575,47 56.082,48 -0.002,49 0.412,50 3.037,52 2.706,54 -2,55 -2,56 3119,57 12.266,58 2.796,59 2.492,60 2.541,61 4.143,62 -1.265,63 2.207,64 639,65 20.17,66 9.323,67 15,68 0.617,69 8}
{0 CHEMBL338282,1 2.603,2 2.603,3 3.081,4 3.081,5 142.793,6 2.659,7 9.075,8 275,9 425.83,10 3.239,11 3.478,12 294.262,13 0.95,14 5.824,15 298.512,16 3.477,17 2.564,18 23.381,19 281.31,20 449.6,21 3.584,22 0.403,23 2,24 0.813,25 2.5,26 359.22,27 5.619,28 0.715,29 3.091,30 3.091,31 21,32 3.761,33 326,34 134.828,35 34.197,36 46,37 0.058,38 1,39 1,40 59.478,41 3,42 3.49,43 6.442,44 3.818,45 4.5,46 5.118,47 96.454,48 2,49 1.048,50 3.586,51 1.69,52 3.127,53 12.307,54 1.533,55 1.533,56 13547,57 12.86,58 4.267,59 2.991,60 3.021,61 4.67,62 1.5,63 7.367,64 3412,65 38.144,66 14.792,67 30,68 1.446,69 6.745}
{0 CHEMBL339714,1 2.472,2 2.472,3 3.036,4 3.036,5 185.621,6 3.058,7 9.978,8 312,9 485.29,10 3.432,11 3.499,12 330.616,13 1.236,14 5.964,15 325.38,16 3.558,17 1.935,18 24.4,19 307.44,20 422.32,21 3.407,22 0.881,23 2.406,24 0.671,25 2.824,26 296.264,27 8.082,28 1.5,29 3.296,30 3.296,31 26,32 3.97,33 282,34 159.795,35 39.666,36 48.5,37 0.078,38 1.364,39 1.364,40 70.53,41 3.071,42 3.624,43 8.836,44 4.155,45 4.84,46 5.283,47 110.524,48 2.352,49 1.368,50 3.775,51 2,52 3.36,53 19.339,54 2.697,55 2.697,56 14160,57 12.789,58 4.434,59 3.311,60 3.317,61 4.743,62 1.963,63 8.2,64 6479,65 50.886,66 14.522,67 35,68 2.289,69 4.8}
{0 CHEMBL341457,1 2.673,2 2.673,3 3.081,4 3.081,5 152.961,6 2.713,7 9.256,8 277,9 430.33,10 3.29,11 3.558,12 298.426,13 0.937,14 5.844,15 295.724,16 3.522,17 2.472,18 24.633,19 293.35,20 438.62,21 3.649,22 0.452,23 2,24 0.819,25 2.63,26 343.494,27 6.576,28 0.627,29 3.135,30 3.135,31 22,32 3.807,33 314,34 139.576,35 35.539,36 47.5,37 0.058,38 1.209,39 1.209,40 62.955,41 3.216,42 3.592,43 7.186,44 3.839,45 4.522,46 5.153,47 99.477,48 2.201,49 1.112,50 3.61,51 1.692,52 3.153,53 19.429,54 1.369,55 1.369,56 13222,57 12.878,58 4.266,59 3.024,60 3.051,61 4.953,62 1.57,63 8.414,64 3855,65 39.377,66 15.798,67 32,68 1.55,69 6.367}
{0 CHEMBL34453,1 1.517,2 1.517,3 1.889,4 1.889,5 66.297,6 0.5,7 5.556,8 160,9 247.82,10 2.741,11 2.414,12 173.041,13 -0.446,14 5.242,15 174.178,16 2.043,17 0.773,18 15.167,19 173.19,20 271.96,21 2.525,24 0.222,25 0.447,26 223.702,27 0.598,28 -1.279,29 2.565,30 2.565,31 12,32 3.219,33 200,34 77.752,35 20.333,36 28.5,38 -1,39 -1,40 35.289,41 0.007,42 2.873,43 4.151,44 3.135,45 3.807,46 4.575,47 57.404,49 0.403,50 3.178,52 2.619,54 -2.264,55 -2.264,56 3081,57 12.301,58 2.409,59 2.502,60 2.53,61 4.089,62 -1.218,63 1.764,64 629,65 20.758,66 9.323,67 16,68 0.784,69 4.831}
{0 CHEMBL357043,1 1.838,2 1.838,3 2.264,4 2.264,5 64.91,6 0.811,7 5.361,8 172,9 269.16,10 2.753,11 2.701,12 184.358,13 -0.01,14 5.242,15 188.24,16 2.137,17 1.013,18 15.333,19 175.16,20 301.56,21 2.835,24 0.222,25 0.436,26 249.546,27 0.694,28 -1.342,29 2.565,30 2.565,31 12,32 3.219,33 224,34 82.246,35 20.348,36 29.5,38 -1,39 -1,40 35.96,41 0.007,42 3.005,43 3.754,44 3.135,45 3.807,46 4.575,47 56.082,48 -0.002,49 0.301,50 3.061,52 2.656,54 -2,55 -2,56 3771,57 12.266,58 2.796,59 2.343,60 2.413,61 4.202,62 -1.265,63 1.508,64 639,65 20.17,66 9.284,67 15,68 0.459,69 5}
{0 CHEMBL359909,1 2.708,2 2.708,3 3.44,4 3.44,5 307.603,6 3.41,7 14.412,8 421,9 655.52,10 3.813,11 4.091,12 447.346,13 2.334,14 6.309,15 422.261,16 5.291,17 2.775,18 34.6,19 457.68,20 595.42,21 3.69,22 2.003,23 3.262,24 1.021,25 3.345,26 429.431,27 15.69,28 2.111,29 3.638,30 3.638,31 37,32 4.317,33 406,34 238.017,35 56.554,36 68.5,37 0.152,38 2.011,39 2.011,40 103.111,41 3.897,42 4.198,43 13.433,44 4.449,45 5.136,46 5.645,47 160.312,48 3.004,49 1.971,50 4.18,51 3.098,52 3.715,53 55.002,54 5.113,55 5.113,56 38079,57 13.133,58 5.288,59 3.741,60 3.727,61 5.195,62 2.599,63 16.773,64 17681,65 70.06,66 22.38,67 52,68 4.146,69 6.225}
{0 CHEMBL361248,1 2.569,2 2.569,3 3.325,4 3.325,5 254.27,6 3.201,7 13.008,8 441,9 676.67,10 3.684,11 3.927,12 468.757,13 1.795,14 6.168,15 471.779,16 4.727,17 2.523,18 34.767,19 424.55,20 635.57,21 3.526,22 2.118,23 3,24 0.931,25 3.098,26 468.782,27 12.807,28 1.879,29 3.526,30 3.526,31 33,32 4.205,33 438,34 195.289,35 49.724,36 68,37 0.144,38 1.739,39 1.739,40 94.73,41 3.619,42 4.06,43 10.521,44 4.321,45 5.007,46 5.493,47 131.974,48 2.719,49 1.506,50 3.999,51 2.653,52 3.52,53 60.912,54 3.292,55 3.292,56 42020,57 12.94,58 4.828,59 3.424,60 3.41,61 5.242,62 2.193,63 12.131,64 14812,65 61.484,66 22.921,67 45,68 2.06,69 6.305}
{0 CHEMBL361358,1 2.882,2 2.882,3 3.668,4 3.668,5 325.635,6 3.517,7 15.275,8 543,9 851.25,10 3.87,11 4.33,12 579.329,13 2.454,14 6.407,15 556,16 5.642,17 2.856,18 36.371,19 500.42,20 812.76,21 3.856,22 2.118,23 3.414,24 1.345,25 3.386,26 612.631,27 12.609,28 2.416,29 3.664,30 3.664,31 38,32 4.344,33 568,34 277.078,35 59.441,36 74.167,37 0.217,38 2.025,39 2.025,40 108.914,41 4.005,42 4.447,43 14.698,44 4.503,45 5.19,46 5.707,47 175.938,48 2.982,49 1.737,50 4.297,51 3.161,52 3.66,53 54.426,54 5.48,55 5.48,56 56700,57 13.426,58 5.336,59 3.406,60 3.442,61 5.188,62 2.668,63 13.94,64 19107,65 72.649,66 23.283,67 57,68 3.589,69 6.222}
{0 CHEMBL361570,1 2.877,2 2.877,3 3.695,4 3.695,5 333.198,6 3.394,7 14.765,8 501,9 788.31,10 3.865,11 4.414,12 533.15,13 2.027,14 6.365,15 508.111,16 5.569,17 2.739,18 36.705,19 499.48,20 738.06,21 3.852,22 2.118,23 3.414,24 1.588,25 3.226,26 549.902,27 17.382,28 2.163,29 3.664,30 3.664,31 38,32 4.344,33 512,34 272.42,35 59.642,36 72.667,37 0.166,38 2.007,39 2.007,40 108.93,41 4.112,42 4.495,43 14.561,44 4.469,45 5.156,46 5.694,47 172.867,48 2.976,49 1.946,50 4.276,51 3.158,52 3.639,53 54.855,54 4.561,55 4.561,56 46097,57 13.407,58 5.331,59 3.528,60 3.508,61 5.176,62 2.52,63 17.271,64 17593,65 71.087,66 23.629,67 58,68 4.298,69 5.963}
{0 CHEMBL361633,1 2.877,2 2.877,3 3.865,4 3.865,5 305.78,6 3.412,7 14.288,8 527,9 826.59,10 3.803,11 4.25,12 562.275,13 1.98,14 6.401,15 534.111,16 5.228,17 2.749,18 32.305,19 465.36,20 773.57,21 3.852,22 2.378,23 3.291,24 1.446,25 3.366,26 576.337,27 10.473,28 2.517,29 3.611,30 3.611,31 36,32 4.29,33 536,34 262.42,35 56.38,36 68.667,37 0.173,38 1.97,39 1.97,40 102.566,41 3.939,42 4.378,43 14.128,44 4.541,45 5.228,46 5.652,47 167.29,48 2.958,49 1.5,50 4.221,51 3.169,52 3.64,53 58.041,54 4.557,55 4.557,56 48113,57 13.443,58 5.322,59 3.409,60 3.434,61 5.014,62 2.655,63 11.742,64 15556,65 72.97,66 20.988,67 56,68 3.214,69 6.201}
{0 CHEMBL361724,1 2.877,2 2.877,3 3.588,4 3.588,5 312.987,6 3.265,7 15.576,8 464,9 719.42,10 3.815,11 4.173,12 495.739,13 1.933,14 6.359,15 490.724,16 5.285,17 2.736,18 39.133,19 475.7,20 636.5,21 3.849,22 2.232,23 3.336,24 1.459,25 3.25,26 453.617,27 18.157,28 2.514,29 3.664,30 3.664,31 38,32 4.344,33 428,34 228.468,35 57.307,36 74.5,37 0.147,38 1.837,39 1.837,40 105.383,41 3.777,42 4.175,43 11.866,44 4.511,45 5.198,46 5.666,47 162.046,48 2.823,49 2.137,50 4.157,51 3.073,52 3.628,53 62.198,54 4.559,55 4.559,56 47408,57 13.298,58 5.309,59 3.521,60 3.515,61 5.065,62 2.532,63 15.831,64 21458,65 72.217,66 25.406,67 51,68 3.218,69 6.253}
{0 CHEMBL361837,1 2.877,2 2.877,3 3.667,4 3.667,5 326.883,6 3.396,7 15.348,8 527,9 825.57,10 3.899,11 4.3,12 560.457,13 2.049,14 6.377,15 539.565,16 5.686,17 2.736,18 38.171,19 515.48,20 785.52,21 3.849,22 2.172,23 3.414,24 1.317,25 3.235,26 587.386,27 14.829,28 2.159,29 3.689,30 3.689,31 39,32 4.369,33 548,34 277.41,35 60.21,36 75.667,37 0.167,38 1.968,39 1.968,40 112.474,41 3.907,42 4.44,43 14.87,44 4.48,45 5.168,46 5.714,47 174.659,48 2.956,49 1.834,50 4.304,51 3.165,52 3.641,53 67.913,54 4.56,55 4.56,56 62604,57 13.386,58 5.328,59 3.516,60 3.51,61 5.108,62 2.531,63 15.564,64 22710,65 72.477,66 24.547,67 57,68 3.762,69 6.648}
{0 CHEMBL361934,1 2.877,2 2.877,3 3.463,4 3.463,5 272.165,6 3.243,7 14.443,8 466,9 723.86,10 3.856,11 4.113,12 498.735,13 1.745,14 6.295,15 482.106,16 4.859,17 2.735,18 34.4,19 498.47,20 669.55,21 3.849,22 2.167,23 3.247,24 1.098,25 3.234,26 490.692,27 13.574,28 2.02,29 3.584,30 3.584,31 35,32 4.263,33 460,34 252.749,35 52.486,36 68.25,37 0.131,38 1.813,39 1.813,40 105.1,41 3.838,42 4.359,43 11.985,44 4.454,45 5.142,46 5.587,47 149.129,48 2.775,49 1.723,50 4.248,51 3,52 3.642,53 62.068,54 3.933,55 3.933,56 46663,57 13.207,58 5.091,59 3.516,60 3.511,61 4.773,62 2.531,63 12.705,64 18057,65 67.654,66 22.967,67 45,68 2.665,69 5.645}
{0 CHEMBL363531,1 2.746,2 2.746,3 3.463,4 3.463,5 290.634,6 3.255,7 13.951,8 454,9 701.49,10 3.781,11 4.005,12 479.92,13 1.746,14 6.288,15 480.372,16 5.115,17 2.591,18 35.933,19 445.62,20 621.79,21 3.72,22 2.176,23 3.25,24 0.886,25 3.235,26 440.564,27 14.239,28 2.023,29 3.638,30 3.638,31 37,32 4.317,33 418,34 222.135,35 55.235,36 70.5,37 0.101,38 1.818,39 1.818,40 102.184,41 3.655,42 4.074,43 11.614,44 4.466,45 5.153,46 5.617,47 150.91,48 2.786,49 1.725,50 4.056,51 3.017,52 3.641,53 62.198,54 4.13,55 4.13,56 45602,57 13.132,58 5.072,59 3.52,60 3.516,61 5.164,62 2.518,63 13.372,64 20356,65 69.8,66 22.121,67 47,68 2.824,69 6.122}
{0 CHEMBL363945,1 2.9,2 2.9,3 3.511,4 3.511,5 260.217,6 3.262,7 13.293,8 416,9 645.92,10 3.634,11 4.032,12 444.865,13 1.609,14 6.256,15 438.736,16 4.442,17 2.494,18 31.167,19 389.55,20 554.97,21 3.871,22 2.078,23 3.09,24 1.164,25 3.107,26 391.893,27 13.239,28 1.997,29 3.497,30 3.497,31 32,32 4.174,33 368,34 197.643,35 48.694,36 61.5,37 0.155,38 1.657,39 1.657,40 86.956,41 3.737,42 4.025,43 10.075,44 4.419,45 5.106,46 5.517,47 142.307,48 2.642,49 1.736,50 3.997,51 2.932,52 3.589,53 51.198,54 4.091,55 4.091,56 23778,57 13.216,58 4.992,59 3.436,60 3.421,61 4.95,62 2.369,63 11.501,64 10606,65 63.89,66 19.658,67 43,68 2.479,69 6.873}
{0 CHEMBL364324,1 2.591,2 2.591,3 3.314,4 3.314,5 249.174,6 3.235,7 13.143,8 460,9 710.49,10 3.811,11 4.185,12 490.652,13 1.924,14 6.168,15 479.603,16 4.745,17 2.535,18 33.933,19 489.41,20 692.51,21 3.554,22 2.118,23 3,24 0.952,25 3.053,26 522.629,27 11.285,28 1.771,29 3.526,30 3.526,31 33,32 4.205,33 486,34 237.615,35 49.584,36 67.75,37 0.127,38 1.794,39 1.794,40 102.965,41 3.779,42 4.273,43 11.586,44 4.321,45 5.007,46 5.493,47 131.696,48 2.746,49 1.377,50 4.179,51 2.781,52 3.64,53 60.781,54 3.495,55 3.495,56 48494,57 12.929,58 4.616,59 3.504,60 3.495,61 4.861,62 2.165,63 10.981,64 15812,65 61.626,66 23.392,67 44,68 2.099,69 7.032}
{0 CHEMBL365368,1 2.147,2 2.147,3 2.438,4 2.438,5 94.138,6 1,7 6.766,8 193,9 306.98,10 2.927,11 3.006,12 207.067,13 0.091,14 5.553,15 207.178,16 2.575,17 1.909,18 17.167,19 199.23,20 307.4,21 3.15,22 -0.796,23 1.2,24 0.347,25 0.707,26 244.378,27 1.746,28 -0.582,29 2.773,30 2.773,31 15,32 3.434,33 220,34 110.918,35 26.476,36 32.5,38 -0.314,39 -0.314,40 40.915,41 0.007,42 3.224,43 5.21,44 3.401,45 4.078,46 4.875,47 81.509,48 0.673,49 0.677,50 3.345,51 1,52 2.853,54 -1.564,55 -1.564,56 3977,57 12.872,58 3.374,59 2.629,60 2.695,61 4.357,62 -0.316,63 3.482,64 1011,65 25.797,66 9.776,67 22,68 1.859,69 6.197}
{0 CHEMBL365440,1 2.877,2 2.877,3 3.314,4 3.314,5 297.663,6 3.236,7 15.037,8 438,9 678.2,10 3.793,11 4.085,12 467.494,13 1.796,14 6.27,15 464.02,16 5.149,17 2.736,18 38.433,19 463.69,20 606.77,21 3.849,22 2.132,23 3.251,24 1.268,25 3.165,26 433.997,27 17.401,28 1.788,29 3.638,30 3.638,31 37,32 4.317,33 410,34 220.301,35 55.288,36 72.5,37 0.131,38 1.817,39 1.817,40 102.956,41 3.739,42 4.127,43 11.444,44 4.385,45 5.072,46 5.631,47 154.832,48 2.786,49 2.063,50 4.127,51 3.049,52 3.619,53 66.793,54 4.115,55 4.115,56 43772,57 13.101,58 5.095,59 3.512,60 3.505,61 5.04,62 2.357,63 15.587,64 20291,65 66.997,66 24.688,67 48,68 3.113,69 5.931}
{0 CHEMBL367823,1 2.877,2 2.877,3 3.667,4 3.667,5 310.069,6 3.396,7 14.641,8 519,9 814.21,10 3.85,11 4.269,12 552.14,13 2.046,14 6.353,15 531.565,16 5.403,17 2.744,18 35.571,19 487.42,20 774,21 3.849,22 2.118,23 3.346,24 1.261,25 3.234,26 579.063,27 13.459,28 2.158,29 3.638,30 3.638,31 37,32 4.317,33 540,34 269.52,35 57.5,36 71.667,37 0.191,38 1.968,39 1.968,40 106.474,41 3.9,42 4.406,43 14.37,44 4.457,45 5.145,46 5.673,47 169.589,48 2.956,49 1.685,50 4.267,51 3.158,52 3.635,53 67.913,54 4.559,55 4.559,56 52058,57 13.382,58 5.328,59 3.398,60 3.416,61 5.048,62 2.531,63 14.379,64 18232,65 69.94,66 22.64,67 55,68 3.571,69 6.559}
{0 CHEMBL369526,1 3.068,2 3.068,3 3.751,4 3.751,5 309.831,6 3.649,7 15.632,8 524,9 823.86,10 3.978,11 4.346,12 564.147,13 2.491,14 6.427,15 504.528,16 5.833,17 2.913,18 36.471,19 510.47,20 806.43,21 3.996,22 1.856,23 3.414,24 1.574,25 3.39,26 623.824,27 14.298,28 2.155,29 3.611,30 3.611,31 36,32 4.29,33 570,34 301.693,35 57.439,36 72.167,37 0.232,38 2.063,39 2.063,40 112.019,41 3.96,42 4.491,43 14.018,44 4.489,45 5.176,46 5.68,47 174.449,48 2.996,49 1.746,50 4.323,51 3.042,52 3.817,53 35.987,54 5.663,55 5.663,56 51724,57 13.625,58 5.352,59 3.743,60 3.719,61 5.108,62 2.674,63 15.778,64 15844,65 69.592,66 24.374,67 56,68 3.821,69 6.288}
{0 CHEMBL371578,1 2.653,2 2.653,3 3.461,4 3.461,5 284.048,6 3.235,7 13.902,8 444,9 685.52,10 3.762,11 4.012,12 471.076,13 1.745,14 6.252,15 470.372,16 4.972,17 2.356,18 36.533,19 447.64,20 611.27,21 3.598,22 2.174,23 3.248,24 1.077,25 3.133,26 435.42,27 14.822,28 1.881,29 3.611,30 3.611,31 36,32 4.29,33 412,34 212.135,35 53.82,36 70.5,37 0.114,38 1.814,39 1.814,40 101.213,41 3.664,42 4.079,43 11.344,44 4.443,45 5.13,46 5.58,47 144.673,48 2.783,49 1.816,50 4.07,51 3,52 3.583,53 62.198,54 3.745,55 3.745,56 43258,57 13.09,58 4.682,59 3.51,60 3.501,61 5.12,62 2.251,63 13.688,64 18926,65 68.197,66 23.469,67 47,68 2.72,69 6.116}
{0 CHEMBL375611,1 2.726,2 2.726,3 3.122,4 3.122,5 106.192,6 1,7 7.699,8 277,9 439.58,10 3.325,11 3.344,12 299.696,13 0.434,14 5.79,15 270.903,16 3.387,17 2.716,18 18.467,19 235.24,20 443.3,21 3.671,22 -0.611,23 2,24 0.347,25 1,26 357.719,27 1.157,28 -0.552,29 2.833,30 2.833,31 16,32 3.497,33 318,34 173.714,35 28.483,36 36.5,38 -0.241,39 -0.241,40 52.066,41 0.007,42 3.657,43 6.527,44 3.689,45 4.369,46 4.977,47 91.97,48 0.708,49 0.565,50 3.647,51 1,52 2.918,54 -1.684,55 -1.684,56 6690,57 13.37,58 3.63,59 2.596,60 2.666,61 4.252,62 -0.261,63 3.163,64 1168,65 30.332,66 10.704,67 25,68 3.298,69 6.827}
{0 CHEMBL38499,1 1.287,2 1.287,3 1.637,4 1.637,5 48.771,6 0.477,7 4.678,8 147,9 223.96,10 2.59,11 2.585,12 160.334,13 -0.804,14 5.024,15 160.967,16 1.643,17 0.471,18 13.867,19 159.16,20 261.84,21 2.293,24 0.222,25 0.43,26 220.36,27 0.806,28 -1.674,29 2.398,30 2.398,31 10,32 3.045,33 196,34 55.754,35 15.742,36 26.5,38 -1,39 -1,40 32.282,41 0.007,42 2.593,43 3.02,44 2.996,45 3.664,46 4.29,47 38.939,48 -0.002,49 0.294,50 2.909,52 2.661,53 3.186,54 -3.479,55 -3.479,56 2889,57 11.65,58 1.438,59 2.445,60 2.489,61 4.022,62 -1.337,63 1.565,64 462,65 17.846,66 9.974,67 12,68 0.199,69 6.638}
{0 CHEMBL385336,1 2.607,2 2.607,3 3.469,4 3.469,5 221.962,6 3.284,7 11.029,8 404,9 640.78,10 3.579,11 3.938,12 431.015,13 1.556,14 6.155,15 405.295,16 3.967,17 2.563,18 25.533,19 350.48,20 552.71,21 3.576,22 1.453,23 2.637,24 1.136,25 2.936,26 393.994,27 8.565,28 1.775,29 3.367,30 3.367,31 28,32 4.043,33 370,34 206.983,35 45.051,36 53,37 0.103,38 1.488,39 1.488,40 79.429,41 3.266,42 4.074,43 10.748,44 4.314,45 5.001,46 5.398,47 129.624,48 2.41,49 1.369,50 3.995,51 2.328,52 3.422,53 42.986,54 3.073,55 3.073,56 16648,57 13.158,58 5.095,59 3.265,60 3.242,61 4.676,62 2.016,63 9.948,64 6750,65 56.952,66 16.222,67 45,68 2.847,69 5}
{0 CHEMBL39338,1 2.481,2 2.481,3 3.109,4 3.109,5 199.032,6 2.781,7 10.852,8 297,9 450.25,10 3.456,11 3.885,12 316.126,13 1.38,14 5.931,15 310.967,16 4.107,17 2.247,18 29.167,19 355.47,20 460.66,21 3.477,22 0.818,23 2.401,24 0.528,25 2.741,26 357.697,27 12.773,28 1.5,29 3.332,30 3.332,31 27,32 4.007,33 328,34 146.754,35 40.6,36 56.5,37 0.19,38 1.317,39 1.317,40 77.515,41 3.646,42 3.797,43 8.378,44 4.043,45 4.727,46 5.273,47 104.922,48 2.317,49 1.486,50 3.77,51 1.924,52 3.463,53 6.371,54 2.792,55 2.792,56 21773,57 12.479,58 3.904,59 3.397,60 3.396,61 4.584,62 1.706,63 12.782,64 7223,65 49.935,66 19.993,67 36,68 2.22,69 4.301}
{0 CHEMBL39372,1 1.993,2 1.993,3 2.632,4 2.632,5 90.256,6 1.962,7 6.561,8 230,9 356.1,10 2.928,11 2.872,12 247.197,13 0.413,14 5.502,15 246.997,16 2.44,17 1.495,18 17.433,19 211.19,20 375.39,21 2.992,22 -0.5,23 1,24 0.528,25 1.126,26 301.824,27 1.913,28 -0.894,29 2.773,30 2.773,31 15,32 3.434,33 272,34 91.914,35 24.418,36 35.5,38 -0.209,39 -0.209,40 44.758,41 2.178,42 3.296,43 4.928,44 3.597,45 4.277,46 4.745,47 64.8,48 0.74,49 0.525,50 3.299,51 0.74,52 2.821,53 6.371,54 -1.886,55 -1.886,56 6822,57 12.343,58 3.208,59 2.746,60 2.749,61 4.502,62 -0.257,63 3.137,64 1277,65 29.175,66 11.49,67 22,68 0.603,69 4.319}
{0 CHEMBL39573,1 2.338,2 2.338,3 2.888,4 2.888,5 115.951,6 2.5,7 7.477,8 229,9 355.06,10 3.076,11 3.42,12 243.897,13 0.645,14 5.65,15 242.967,16 2.903,17 1.775,18 19.267,19 235.26,20 362.93,21 3.339,22 0.35,23 1.555,24 0.677,25 2.159,26 285.731,27 4.309,28 -0.104,29 2.944,30 2.944,31 18,32 3.611,33 260,34 113.921,35 28.924,36 38.5,38 0.874,39 0.874,40 50.818,41 1.611,42 3.362,43 5.623,44 3.676,45 4.357,46 4.949,47 80.407,48 1.861,49 0.772,50 3.382,51 1.024,52 3.018,53 3.186,54 -0.269,55 -0.269,56 7538,57 12.586,58 3.518,59 2.786,60 2.832,61 4.415,62 1.024,63 5.463,64 1983,65 33.212,66 11.926,67 24,68 1.429,69 5.097}
{0 CHEMBL40086,1 1.517,2 1.517,3 1.889,4 1.889,5 66.297,6 0.5,7 5.556,8 170,9 265.06,10 2.758,11 2.393,12 184.043,13 -0.41,14 5.242,15 185.587,16 2.039,17 0.995,18 15.267,19 174.18,20 288.6,21 2.513,24 0.222,25 0.447,26 236.378,27 0.52,28 -1.279,29 2.565,30 2.565,31 12,32 3.219,33 212,34 80.055,35 20.333,36 29,38 -1,39 -1,40 35.744,41 0.007,42 2.876,43 4.151,44 3.135,45 3.807,46 4.575,47 57.404,48 -0.001,49 0.301,50 3.193,52 2.567,54 -2.264,55 -2.264,56 3327,57 12.301,58 2.409,59 2.473,60 2.476,61 4.096,62 -1.218,63 1.417,64 629,65 20.758,66 9.284,67 16,68 0.613,69 6.347}
{0 CHEMBL40123,1 2.46,2 2.46,3 3.104,4 3.104,5 184.637,6 2.781,7 10.157,8 289,9 439.03,10 3.379,11 3.931,12 307.903,13 1.38,14 5.893,15 302.967,16 3.846,17 2.218,18 26.567,19 327.41,20 449.16,21 3.457,22 0.719,23 2.198,24 0.861,25 2.662,26 349.416,27 11.623,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 320,34 138.754,35 38.035,36 52.5,37 0.049,38 1.315,39 1.315,40 71.515,41 3.517,42 3.754,43 7.841,44 4.007,45 4.691,46 5.209,47 99.931,48 2.317,49 1.324,50 3.706,51 1.555,52 3.425,53 6.371,54 2.385,55 2.385,56 16811,57 12.473,58 3.84,59 3.277,60 3.299,61 4.347,62 1.597,63 11.352,64 5237,65 47.416,66 18.02,67 34,68 2.02,69 4.745}
{0 CHEMBL409928,1 3.099,2 3.099,3 3.58,4 3.58,5 254.258,6 3.1,7 12.598,8 418,9 662.78,10 3.565,11 4.161,12 443.599,13 1.594,14 6.249,15 448.784,16 5.144,17 2.689,18 29.648,19 371.39,20 631.06,21 4.069,22 1.261,23 3.279,24 1.368,25 2.969,26 480.893,27 11.29,28 1.966,29 3.434,30 3.434,31 30,32 4.111,33 442,34 211.859,35 49.883,36 61,37 0.049,38 1.524,39 1.524,40 80.749,41 3.685,42 4.085,43 9.943,44 4.263,45 4.949,46 5.517,47 151.173,48 2.504,49 1.65,50 3.995,51 2.743,52 3.486,53 27.858,54 3.329,55 3.329,56 25163,57 13.476,58 5.303,59 3.351,60 3.369,61 4.781,62 2.133,63 12.307,64 7349,65 57.408,66 17.959,67 50,68 2.742,69 8.457}
{0 CHEMBL410126,1 3.099,2 3.099,3 3.58,4 3.58,5 254.258,6 3.1,7 12.598,8 418,9 662.78,10 3.565,11 4.161,12 443.599,13 1.594,14 6.249,15 448.784,16 5.144,17 2.689,18 29.648,19 371.39,20 631.06,21 4.069,22 1.261,23 3.279,24 1.368,25 2.969,26 480.893,27 11.29,28 1.966,29 3.434,30 3.434,31 30,32 4.111,33 442,34 211.859,35 49.883,36 61,37 0.049,38 1.524,39 1.524,40 80.749,41 3.685,42 4.085,43 9.943,44 4.263,45 4.949,46 5.517,47 151.173,48 2.504,49 1.65,50 3.995,51 2.743,52 3.486,53 27.858,54 3.329,55 3.329,56 25163,57 13.476,58 5.303,59 3.351,60 3.369,61 4.781,62 2.133,63 12.307,64 7349,65 57.408,66 17.959,67 50,68 2.742,69 5}
{0 CHEMBL41013,1 1.706,2 1.706,3 2.112,4 2.112,5 66.018,6 0.454,7 5.726,8 165,9 257.59,10 2.741,11 2.611,12 178.85,13 -0.642,14 5.333,15 179.178,16 2.064,17 0.625,18 15.167,19 173.19,20 276.36,21 2.715,24 0.222,25 0.412,26 226.149,27 0.77,28 -1.285,29 2.565,30 2.565,31 12,32 3.219,33 202,34 82.752,35 20.684,36 28.5,38 -1,39 -1,40 34.779,41 0.007,42 2.793,43 3.904,44 3.178,45 3.85,46 4.615,47 60.776,49 0.436,50 3.084,52 2.795,54 -2.548,55 -2.548,56 3079,57 12.546,58 2.592,59 2.632,60 2.666,61 4.056,62 -1,63 2.291,64 627,65 20.744,66 9.323,67 17,68 0.457,69 4.076}
{0 CHEMBL41221,1 1.287,2 1.287,3 1.535,4 1.535,5 48.771,6 0.44,7 4.678,8 136,9 205.92,10 2.603,11 2.617,12 147.691,13 -0.813,14 4.934,15 149.967,16 1.66,17 0.47,18 14.467,19 161.18,20 246.8,21 2.293,24 0.222,25 0.382,26 208.837,27 0.845,28 -1.525,29 2.398,30 2.398,31 10,32 3.045,33 186,34 55.754,35 15.742,36 26.5,38 -1,39 -1,40 32.282,41 0.007,42 2.631,43 3.02,44 2.89,45 3.555,46 4.29,47 38.939,48 -0.002,49 0.315,50 2.928,52 2.701,54 -3.479,55 -3.479,56 2648,57 11.468,58 1.438,59 2.516,60 2.561,61 3.971,62 -1.276,63 1.705,64 462,65 16.803,66 10.234,67 12,68 0.26,69 5.699}
{0 CHEMBL418462,1 2.668,2 2.668,3 3.04,4 3.04,5 148.284,6 2.84,7 9.142,8 288,9 450.55,10 3.307,11 3.636,12 310.098,13 1.302,14 5.806,15 297.506,16 3.388,17 2.439,18 23.052,19 298.75,20 471.86,21 3.627,22 0.422,23 2,24 0.754,25 2.647,26 376.274,27 6.579,28 0.897,29 3.091,30 3.091,31 21,32 3.761,33 342,34 146.097,35 34.35,36 45.333,38 1.285,39 1.285,40 62.302,41 3.09,42 3.733,43 7.561,44 3.818,45 4.5,46 5.118,47 97.628,48 2.265,49 0.959,50 3.745,51 1.621,52 3.297,53 9.81,54 2.191,55 2.191,56 12591,57 12.762,58 4.122,59 3.007,60 3.011,61 4.786,62 1.595,63 6.686,64 3086,65 38.623,66 15.097,67 31,68 1.784,69 4.125}
{0 CHEMBL418650,1 2.469,2 2.469,3 2.543,4 2.543,5 136.47,6 2.404,7 8.625,8 219,9 343.24,10 3.216,11 3.494,12 235.8,13 1,14 5.617,15 235.643,16 3.252,17 2.268,18 23.767,19 270.37,20 352.8,21 3.467,22 0.134,23 1.66,24 0.723,25 2,26 279.88,27 6.881,28 0.884,29 3.045,30 3.045,31 20,32 3.714,33 254,34 126.387,35 31.877,36 43,38 1,39 1,40 56.662,41 2.723,42 3.578,43 6.647,44 3.526,45 4.205,46 5.056,47 90.522,48 2,49 1.078,50 3.63,51 1.524,52 3.136,53 3.124,54 2.136,55 2.136,56 7737,57 12.522,58 3.813,59 3.079,60 3.087,61 4.443,62 1,63 7.128,64 2751,65 32.493,66 14.601,67 28,68 2.427,69 4.335}
{0 CHEMBL421406,1 2.517,2 2.517,3 3.448,4 3.448,5 213.304,6 2.932,7 11.221,8 400,9 613.6,10 3.711,11 4.068,12 426.268,13 1.335,14 6.113,15 389.438,16 4.299,17 2.254,18 27.567,19 368.49,20 563.18,21 3.49,22 1.292,23 2.801,24 0.799,25 2.864,26 415.35,27 11.302,28 1.753,29 3.367,30 3.367,31 28,32 4.043,33 384,34 207.321,35 41.866,36 56,37 0.054,38 1.417,39 1.417,40 86.533,41 3.583,42 3.972,43 10.145,44 4.284,45 4.97,46 5.342,47 114.494,48 2.393,49 1.276,50 3.958,51 2.45,52 3.726,53 47.042,54 2.732,55 2.732,56 21257,57 13.137,58 4.188,59 3.724,60 3.674,61 4.866,62 2.021,63 10.445,64 7474,65 56.127,66 18.277,67 38,68 2.474,69 6.444}
{0 CHEMBL42148,1 1.878,2 1.878,3 2.265,4 2.265,5 84.248,6 1.425,7 6.288,8 184,9 290.97,10 2.862,11 2.486,12 197.368,13 0.292,14 5.451,15 198.178,16 2.403,17 1.349,18 15.867,19 185.2,20 297.2,21 2.885,22 -0.885,23 1,24 0.222,25 0.495,26 237.857,27 0.84,28 -1.267,29 2.708,30 2.708,31 14,32 3.367,33 214,34 101.918,35 24.619,36 30.5,38 -0.602,39 -0.602,40 38.35,41 0.007,42 3.129,43 5.203,44 3.332,45 4.007,46 4.86,47 76.332,48 0.365,49 0.511,50 3.302,52 2.645,54 -2,55 -2,56 3599,57 12.692,58 3.32,59 2.538,60 2.527,61 4.252,62 -0.604,63 2.316,64 843,65 24.637,66 8.815,67 19,68 1.509,69 4.42}
{0 CHEMBL424795,1 2.598,2 2.598,3 3.41,4 3.41,5 235.714,6 3.269,7 12.53,8 395,9 608.92,10 3.667,11 3.823,12 421.203,13 1.756,14 6.15,15 395.977,16 4.466,17 2.768,18 30.767,19 407.57,20 573.23,21 3.58,22 1.454,23 2.892,24 0.847,25 3.047,26 423.667,27 11.513,28 2.023,29 3.466,30 3.466,31 31,32 4.143,33 396,34 196.681,35 46.986,36 61.5,37 0.153,38 1.758,39 1.758,40 90.259,41 3.524,42 3.987,43 10.738,44 4.311,45 4.997,46 5.442,47 125.936,48 2.722,49 1.463,50 4.024,51 2.64,52 3.558,53 46.996,54 3.091,55 3.091,56 31355,57 12.889,58 4.945,59 3.571,60 3.558,61 4.972,62 2.164,63 10.977,64 11913,65 59.69,66 21.259,67 43,68 2.538,69 5.975}
{0 CHEMBL424998,1 2.877,2 2.877,3 3.485,4 3.485,5 297.663,6 3.26,7 15.037,8 486,9 751.28,10 3.801,11 4.079,12 519.72,13 1.746,14 6.321,15 520.015,16 5.14,17 2.735,18 38.033,19 463.65,20 670.19,21 3.849,22 2.175,23 3.251,24 1.268,25 3.235,26 480.494,27 12.472,28 2.024,29 3.638,30 3.638,31 37,32 4.317,33 452,34 224.686,35 55.288,36 73.5,37 0.131,38 1.817,39 1.817,40 103.865,41 3.738,42 4.136,43 11.444,44 4.477,45 5.165,46 5.631,47 154.832,48 2.785,49 1.893,50 4.132,51 3.049,52 3.623,53 61.647,54 4.115,55 4.115,56 48965,57 13.223,58 5.095,59 3.511,60 3.505,61 4.95,62 2.531,63 10.894,64 20291,65 70.153,66 24.311,67 48,68 2.541,69 6.378}
{0 CHEMBL425540,1 2.691,2 2.691,3 3.399,4 3.399,5 254.508,6 3.201,7 12.892,8 429,9 659.39,10 3.682,11 3.899,12 457.866,13 1.73,14 6.168,15 455.88,16 4.696,17 2.522,18 34.7,19 423.57,20 614.29,21 3.635,22 2.118,23 3.026,24 1.021,25 2.842,26 452.15,27 12.82,28 1.854,29 3.526,30 3.526,31 33,32 4.205,33 422,34 195.133,35 49.95,36 67.5,37 0.14,38 1.649,39 1.649,40 94.674,41 3.59,42 4.065,43 10.727,44 4.321,45 5.007,46 5.493,47 132.785,48 2.634,49 1.631,50 3.987,51 2.643,52 3.497,53 50.55,54 3.292,55 3.292,56 40806,57 12.964,58 4.559,59 3.424,60 3.411,61 5.29,62 1.888,63 12.779,64 14832,65 61.661,66 22.921,67 46,68 2.183,69 5.696}
{0 CHEMBL432038,1 2.783,2 2.783,3 3.58,4 3.58,5 238.661,6 3.086,7 11.931,8 381,9 597.07,10 3.522,11 4.063,12 403.97,13 1.591,14 6.175,15 402.451,16 4.595,17 2.678,18 28.133,19 353.4,20 557.74,21 3.778,22 0.912,23 2.853,24 1.257,25 2.968,26 418.721,27 11.221,28 1.966,29 3.401,30 3.401,31 29,32 4.078,33 386,34 193.569,35 47.277,36 57.5,37 0.049,38 1.524,39 1.524,40 77.863,41 3.453,42 3.999,43 9.943,44 4.22,45 4.905,46 5.46,47 139.517,48 2.504,49 1.502,50 3.909,51 2.552,52 3.466,53 27.858,54 3.329,55 3.329,56 21124,57 13.227,58 4.938,59 3.352,60 3.365,61 4.781,62 2.112,63 12.203,64 6790,65 55.377,66 17.07,67 47,68 2.71,69 7.678}
{0 CHEMBL440328,1 2.629,2 2.629,3 3.44,4 3.44,5 240.542,6 3.371,7 13.336,8 488,9 771.31,10 3.819,11 4.229,12 523.904,13 1.689,14 6.173,15 512.71,16 6.574,17 2.783,18 34.243,19 432.46,20 802.85,21 3.564,22 1,23 2.728,24 1.208,25 2.922,26 635.199,27 10.977,28 1.787,29 3.434,30 3.434,31 30,32 4.111,33 582,34 237.186,35 45.085,36 68.5,37 0.186,38 1.504,39 1.504,40 96.496,41 4.054,42 4.271,43 9.603,44 4.248,45 4.934,46 5.434,47 127.659,48 2.461,49 1.441,50 4.159,51 2.472,52 3.531,53 97.679,54 2.811,55 2.811,56 38943,57 13.241,58 4.972,59 3.364,60 3.393,61 5.179,62 2.091,63 10.961,64 9046,65 56.538,66 22.985,67 40,68 2.326,69 6.194}
{0 CHEMBL444589,1 1.993,2 1.993,3 2.632,4 2.632,5 90.256,6 1.962,7 6.561,8 230,9 356.1,10 2.928,11 2.872,12 247.197,13 0.413,14 5.502,15 246.997,16 2.44,17 1.495,18 17.433,19 211.19,20 375.39,21 2.992,22 -0.5,23 1,24 0.528,25 1.126,26 301.824,27 1.913,28 -0.894,29 2.773,30 2.773,31 15,32 3.434,33 272,34 91.914,35 24.418,36 35.5,38 -0.209,39 -0.209,40 44.758,41 2.178,42 3.296,43 4.928,44 3.597,45 4.277,46 4.745,47 64.8,48 0.74,49 0.525,50 3.299,51 0.74,52 2.821,53 6.371,54 -1.886,55 -1.886,56 6822,57 12.343,58 3.208,59 2.746,60 2.749,61 4.502,62 -0.257,63 3.137,64 1277,65 29.175,66 11.49,67 22,68 0.603,69 4.509}
{0 CHEMBL444778,1 2.512,2 2.512,3 2.744,4 2.744,5 167.931,6 2.573,7 9.871,8 263,9 408.53,10 3.415,11 3.44,12 279.845,13 1.34,14 5.741,15 281.271,16 3.582,17 2.484,18 26.9,19 317.47,20 390.36,21 3.51,22 0.806,23 2,24 0.514,25 2.5,26 288.513,27 7.988,28 1.442,29 3.258,30 3.258,31 25,32 3.932,33 272,34 143.023,35 37.079,36 49.5,37 0.061,38 1.281,39 1.281,40 70.098,41 3.135,42 3.488,43 7.836,44 3.818,45 4.5,46 5.209,47 97.808,48 2.219,49 1.289,50 3.751,51 1.943,52 3.287,53 30.429,54 2.347,55 2.347,56 13498,57 12.207,58 4.128,59 3.285,60 3.273,61 4.679,62 1.5,63 8.879,64 6768,65 41.84,66 16.631,67 29,68 2.399,69 6.693}
{0 CHEMBL450076,1 2.442,2 2.442,3 3.179,4 3.179,5 155.85,6 2.892,7 9.35,8 299,9 464.55,10 3.311,11 3.346,12 318.872,13 1,14 5.851,15 321.15,16 3.325,17 2.492,18 22.548,19 285.34,20 450.54,21 3.418,22 0.5,23 2,24 0.639,25 2.5,26 339.138,27 6.389,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 316,34 138.611,35 35.547,36 46,37 0.089,38 1.227,39 1.227,40 63.52,41 2.807,42 3.416,43 7.128,44 3.989,45 4.673,46 5.165,47 97.09,48 2.169,49 1.057,50 3.681,51 1.884,52 3.093,53 29.678,54 2.275,55 2.275,56 14289,57 12.521,58 4.315,59 3.073,60 3.068,61 4.378,62 1.5,63 6.605,64 4746,65 44.042,66 13.934,67 29,68 1.599,69 7.076}
{0 CHEMBL450207,1 2.49,2 2.49,3 2.755,4 2.755,5 160.287,6 2.529,7 9.518,8 259,9 403.63,10 3.376,11 3.408,12 276.204,13 1.088,14 5.718,15 277.271,16 3.441,17 2.435,18 25.6,19 303.44,20 384.68,21 3.482,22 0.583,23 2,24 0.514,25 2.5,26 284.527,27 7.58,28 1.433,29 3.219,30 3.219,31 24,32 3.892,33 268,34 139.355,35 35.893,36 47.5,37 0.07,38 1.271,39 1.271,40 67.098,41 2.972,42 3.443,43 7.594,44 3.795,45 4.477,46 5.176,47 95.276,48 2.209,49 1.192,50 3.719,51 1.866,52 3.189,53 30.429,54 2.275,55 2.275,56 11949,57 12.201,58 4.128,59 3.157,60 3.153,61 4.57,62 1.5,63 7.864,64 5805,65 40.567,66 15.666,67 28,68 2.25,69 7.824}
{0 CHEMBL46527,1 1.878,2 1.878,3 2.265,4 2.265,5 84.248,6 1.425,7 6.288,8 184,9 290.97,10 2.862,11 2.486,12 197.368,13 0.292,14 5.451,15 198.178,16 2.403,17 1.349,18 15.867,19 185.2,20 297.2,21 2.885,22 -0.885,23 1,24 0.222,25 0.495,26 237.857,27 0.84,28 -1.267,29 2.708,30 2.708,31 14,32 3.367,33 214,34 101.918,35 24.619,36 30.5,38 -0.602,39 -0.602,40 38.35,41 0.007,42 3.129,43 5.203,44 3.332,45 4.007,46 4.86,47 76.332,48 0.365,49 0.511,50 3.302,52 2.645,54 -2,55 -2,56 3599,57 12.692,58 3.32,59 2.538,60 2.527,61 4.252,62 -0.604,63 2.316,64 843,65 24.637,66 8.815,67 19,68 1.509,69 4.268}
{0 CHEMBL483561,1 2.857,2 2.857,3 3.224,4 3.224,5 196.265,6 2.979,7 11.876,8 403,9 654.25,10 3.504,11 3.679,12 432.999,13 1.522,14 6.034,15 451.09,16 4.58,17 2.548,18 28.343,19 351.35,20 650.14,21 3.812,22 0.865,23 2.445,24 0.785,25 2.893,26 504.219,27 7.237,28 1.5,29 3.332,30 3.332,31 27,32 4.007,33 466,34 171.085,35 41.445,36 58,37 0.16,38 1.472,39 1.472,40 75.772,41 3.33,42 3.733,43 7.947,44 4.111,45 4.796,46 5.352,47 119.004,48 2.454,49 1.309,50 3.989,51 2,52 3.433,53 81.68,54 3.457,55 3.457,56 30285,57 12.795,58 4.757,59 3.09,60 3.117,61 4.491,62 1.961,63 8.106,64 7746,65 50.368,66 17.623,67 34,68 1.715,69 6.738}
{0 CHEMBL483750,1 2.605,2 2.605,3 3.214,4 3.214,5 167.59,6 2.899,7 9.858,8 334,9 522.5,10 3.411,11 3.537,12 356.65,13 1.502,14 5.912,15 349.013,16 3.514,17 2.492,18 23.633,19 319.78,20 522.59,21 3.54,22 0.726,23 2,24 0.75,25 2.818,26 401.265,27 6.814,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 372,34 160.039,35 37.568,36 48.333,37 0.119,38 1.414,39 1.414,40 69.159,41 2.967,42 3.595,43 7.717,44 4.043,45 4.727,46 5.22,47 103.746,48 2.318,49 1.043,50 3.816,51 2,52 3.302,53 33.178,54 3.435,55 3.435,56 18052,57 12.656,58 4.368,59 3.078,60 3.073,61 4.682,62 1.942,63 6.85,64 5273,65 45.885,66 15.167,67 32,68 1.748,69 7.523}
{0 CHEMBL483751,1 2.497,2 2.497,3 3.184,4 3.184,5 168.308,6 2.97,7 9.89,8 334,9 521.78,10 3.365,11 3.459,12 356.453,13 1.362,14 5.912,15 365.484,16 3.601,17 2.498,18 24.062,19 303.33,20 522.53,21 3.471,22 0.794,23 2,24 0.667,25 2.721,26 401.191,27 6.435,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 372,34 150.103,35 37.586,36 49.5,37 0.126,38 1.315,39 1.315,40 66.85,41 2.921,42 3.622,43 7.128,44 4.043,45 4.727,46 5.22,47 103.936,48 2.277,49 1.328,50 3.754,51 2,52 3.096,53 38.799,54 3.17,55 3.17,56 17716,57 12.661,58 4.704,59 3.073,60 3.068,61 4.682,62 1.811,63 6.698,64 5213,65 45.942,66 14.83,67 32,68 1.611,69 7.155}
{0 CHEMBL483754,1 2.477,2 2.477,3 2.743,4 2.743,5 159.121,6 2.51,7 9.226,8 252,9 392.04,10 3.376,11 3.405,12 268.459,13 1.105,14 5.678,15 269.362,16 3.422,17 2.086,18 25.6,19 303.44,20 379.5,21 3.467,22 0.574,23 2,24 0.361,25 2.5,26 281.721,27 7.55,28 1.436,29 3.219,30 3.219,31 24,32 3.892,33 266,34 135.801,35 35.187,36 47.5,37 0.074,38 1.414,39 1.414,40 67.827,41 2.967,42 3.45,43 7.599,44 3.773,45 4.454,46 5.153,47 91.235,48 2.31,49 1.186,50 3.691,51 1.866,52 3.189,53 30.429,54 2.275,55 2.275,56 12028,57 12.118,58 3.639,59 3.157,60 3.153,61 4.586,62 1.5,63 7.944,64 5854,65 40.052,66 15.666,67 29,68 2.337,69 6.932}
{0 CHEMBL484126,1 2.453,2 2.453,3 3.16,4 3.16,5 157.429,6 2.862,7 9.256,8 300,9 468.18,10 3.311,11 3.41,12 319.803,13 1.162,14 5.851,15 322.15,16 3.352,17 2.323,18 22.548,19 285.34,20 451.16,21 3.433,22 0.628,23 2,24 0.556,25 2.646,26 339.033,27 6.406,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 316,34 140.193,35 35.727,36 46,37 0.101,38 1.296,39 1.296,40 63.621,41 2.822,42 3.51,43 7.128,44 3.989,45 4.673,46 5.165,47 97.505,48 2.25,49 1.141,50 3.681,51 1.884,52 3.076,53 29.678,54 2.778,55 2.778,56 13489,57 12.568,58 4.136,59 3.073,60 3.065,61 4.628,62 1.694,63 6.68,64 4618,65 44.04,66 13.934,67 30,68 1.599,69 7.456}
{0 CHEMBL484127,1 2.446,2 2.446,3 3.172,4 3.172,5 156.473,6 2.882,7 9.362,8 299,9 464.84,10 3.311,11 3.402,12 319.009,13 1.127,14 5.851,15 321.15,16 3.334,17 2.489,18 22.548,19 285.34,20 450.56,21 3.422,22 0.664,23 2,24 0.639,25 2.612,26 339.203,27 6.426,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 316,34 138.611,35 35.543,36 46,37 0.094,38 1.253,39 1.253,40 63.52,41 2.791,42 3.46,43 7.128,44 3.989,45 4.673,46 5.165,47 97.078,48 2.204,49 1.07,50 3.681,51 1.883,52 3.084,53 29.678,54 2.52,55 2.52,56 13889,57 12.523,58 4.251,59 3.073,60 3.066,61 4.682,62 1.653,63 6.644,64 4682,65 44.046,66 13.934,67 29,68 1.599,69 6.553}
{0 CHEMBL484128,1 2.388,2 2.388,3 3.13,4 3.13,5 145.55,6 2.669,7 8.729,8 265,9 411.29,10 3.255,11 3.292,12 282.362,13 1,14 5.785,15 277.817,16 3.104,17 2.02,18 21.033,19 267.35,20 379.19,21 3.375,22 0.5,23 2,24 0.528,25 2.5,26 277.045,27 6.359,28 1.5,29 3.135,30 3.135,31 22,32 3.807,33 260,34 128.701,35 33.478,36 42.5,37 0.065,38 1.118,39 1.118,40 60.291,41 2.695,42 3.357,43 7.128,44 3.932,45 4.615,46 5.106,47 90.726,48 2.096,49 0.986,50 3.603,51 1.555,52 3.076,53 20.557,54 2.275,55 2.275,56 10302,57 12.416,58 4.119,59 3.073,60 3.065,61 4.304,62 1.5,63 6.587,64 4163,65 42.21,66 13.042,67 27,68 1.579,69 6.848}
{0 CHEMBL484178,1 2.56,2 2.56,3 2.859,4 2.859,5 173.121,6 2.748,7 10.047,8 285,9 444.99,10 3.424,11 3.554,12 303.65,13 1.183,14 5.778,15 306.645,16 3.601,17 2.469,18 27,19 318.46,20 418.46,21 3.525,22 0.67,23 2,24 0.604,25 2.5,26 308.364,27 7.913,28 1.437,29 3.258,30 3.258,31 25,32 3.932,33 290,34 149.519,35 38.005,36 50,37 0.107,38 1.271,39 1.271,40 69.925,41 3.038,42 3.593,43 8.046,44 3.839,45 4.522,46 5.231,47 102.599,48 2.209,49 1.285,50 3.787,51 1.943,52 3.287,53 34.233,54 2.48,55 2.48,56 13270,57 12.302,58 4.198,59 3.285,60 3.274,61 4.655,62 1.5,63 8.608,64 6292,65 42.471,66 16.568,67 31,68 2.332,69 7.056}
{0 CHEMBL484338,1 2.477,2 2.477,3 3.117,4 3.117,5 159.121,6 2.635,7 9.226,8 298,9 461.74,10 3.368,11 3.382,12 319.236,13 1.108,14 5.791,15 317.475,16 3.352,17 2.086,18 23.9,19 298.37,20 448.05,21 3.46,22 0.732,23 2,24 0.361,25 2.5,26 333.463,27 6.299,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 314,34 137.3,35 35.187,36 48,37 0.074,38 1.414,39 1.414,40 68.327,41 2.925,42 3.417,43 7.599,44 3.951,45 4.635,46 5.153,47 91.235,48 2.309,49 0.981,50 3.667,51 1.866,52 3.158,53 51.709,54 2.275,55 2.275,56 15963,57 12.292,58 3.639,59 3.089,60 3.097,61 4.803,62 1.5,63 6.456,64 5854,65 44.22,66 14.855,67 29,68 1.574,69 5}
{0 CHEMBL484339,1 2.44,2 2.44,3 2.794,4 2.794,5 152.789,6 2.507,7 9.176,8 275,9 429.69,10 3.353,11 3.396,12 292.743,13 1.2,14 5.695,15 297.817,16 3.288,17 2.448,18 24.467,19 291.38,20 420,21 3.405,22 0.5,23 2,24 0.348,25 2.5,26 313.345,27 7.361,28 1.404,29 3.178,30 3.178,31 23,32 3.85,33 296,34 138.345,35 34.437,36 46.5,37 0.077,38 1.259,39 1.259,40 65.006,41 2.832,42 3.419,43 7.278,44 3.773,45 4.454,46 5.142,47 92.706,48 2.19,49 0.999,50 3.704,51 1.635,52 3.097,53 30.429,54 2.275,55 2.275,56 12548,57 12.199,58 4.126,59 3.058,60 3.057,61 4.517,62 1.473,63 7.152,64 4938,65 39.28,66 14.668,67 27,68 1.749,69 5}
{0 CHEMBL484340,1 2.56,2 2.56,3 2.859,4 2.859,5 173.121,6 2.748,7 10.047,8 271,9 421.87,10 3.415,11 3.541,12 288.054,13 1.183,14 5.778,15 290.181,16 3.604,17 2.469,18 26.9,19 317.47,20 396.02,21 3.541,22 0.67,23 2,24 0.604,25 2.5,26 291.085,27 9.643,28 1.437,29 3.258,30 3.258,31 25,32 3.932,33 274,34 147.687,35 38.005,36 49.5,37 0.107,38 1.271,39 1.271,40 69.47,41 3.045,42 3.584,43 8.046,44 3.839,45 4.522,46 5.231,47 102.599,48 2.21,49 1.34,50 3.777,51 1.943,52 3.287,53 30.429,54 2.48,55 2.48,56 12714,57 12.302,58 4.198,59 3.285,60 3.274,61 4.543,62 1.5,63 9.99,64 6292,65 42.471,66 16.631,67 31,68 2.446,69 8.301}
{0 CHEMBL484403,1 2.388,2 2.388,3 3.13,4 3.13,5 145.55,6 2.669,7 8.729,8 289,9 449.21,10 3.274,11 3.306,12 310.291,13 1,14 5.785,15 306.042,16 3.087,17 2.02,18 21.233,19 269.33,20 422.07,21 3.37,22 0.5,23 2,24 0.528,25 2.5,26 311.791,27 5.096,28 1.5,29 3.135,30 3.135,31 22,32 3.807,33 292,34 131.698,35 33.478,36 43.5,37 0.065,38 1.118,39 1.118,40 61.291,41 2.714,42 3.369,43 7.128,44 3.932,45 4.615,46 5.106,47 90.726,48 2.068,49 0.929,50 3.614,51 1.555,52 3.068,53 47.27,54 2.275,55 2.275,56 11862,57 12.416,58 4.119,59 3.038,60 3.036,61 4.479,62 1.5,63 5.329,64 4163,65 42.21,66 12.918,67 27,68 1.43,69 5.359}
{0 CHEMBL484731,1 2.56,2 2.56,3 2.859,4 2.859,5 173.121,6 2.748,7 10.047,8 271,9 421.87,10 3.415,11 3.541,12 288.054,13 1.183,14 5.778,15 290.181,16 3.604,17 2.469,18 26.9,19 317.47,20 396.02,21 3.541,22 0.67,23 2,24 0.604,25 2.5,26 291.085,27 9.643,28 1.437,29 3.258,30 3.258,31 25,32 3.932,33 274,34 147.687,35 38.005,36 49.5,37 0.107,38 1.271,39 1.271,40 69.47,41 3.045,42 3.584,43 8.046,44 3.839,45 4.522,46 5.231,47 102.599,48 2.21,49 1.34,50 3.777,51 1.943,52 3.287,53 30.429,54 2.48,55 2.48,56 12714,57 12.302,58 4.198,59 3.285,60 3.274,61 4.543,62 1.5,63 9.99,64 6292,65 42.471,66 16.631,67 31,68 2.446,69 8.102}
{0 CHEMBL484956,1 2.932,2 2.932,3 3.229,4 3.229,5 210.275,6 3.135,7 12.415,8 452,9 733.87,10 3.555,11 3.797,12 485.917,13 1.924,14 6.086,15 511.888,16 5.044,17 2.557,18 29.957,19 370.33,20 744.49,21 3.842,22 0.899,23 2.602,24 0.979,25 2.97,26 583.452,27 6.412,28 1.812,29 3.367,30 3.367,31 28,32 4.043,33 538,34 184.576,35 43.604,36 62,37 0.196,38 1.747,39 1.747,40 79.557,41 3.42,42 3.89,43 7.947,44 4.159,45 4.844,46 5.398,47 125.8,48 2.683,49 1.436,50 4.049,51 2,52 3.444,53 99.42,54 3.549,55 3.549,56 35856,57 12.904,58 4.847,59 3.075,60 3.112,61 4.984,62 1.971,63 7.112,64 8289,65 52.241,66 18.466,67 37,68 1.61,69 6.42}
{0 CHEMBL484957,1 2.605,2 2.605,3 3.214,4 3.214,5 167.59,6 2.899,7 9.858,8 348,9 544.88,10 3.373,11 3.466,12 371.987,13 1.501,14 5.912,15 381.948,16 3.604,17 2.492,18 24.162,19 304.32,20 544.95,21 3.548,22 0.726,23 2,24 0.75,25 2.818,26 418.445,27 5.487,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 388,34 153.022,35 37.568,36 50,37 0.119,38 1.414,39 1.414,40 67.304,41 2.891,42 3.521,43 7.128,44 4.043,45 4.727,46 5.22,47 103.746,48 2.352,49 1.093,50 3.762,51 2,52 3.096,53 47.417,54 3.435,55 3.435,56 18720,57 12.656,58 4.368,59 3.053,60 3.054,61 4.871,62 1.942,63 5.57,64 5273,65 45.885,66 14.768,67 32,68 1.495,69 5.469}
{0 CHEMBL484958,1 2.605,2 2.605,3 3.214,4 3.214,5 167.59,6 2.899,7 9.858,8 348,9 544.1,10 3.373,11 3.471,12 371.784,13 1.501,14 5.912,15 381.948,16 3.603,17 2.492,18 24.162,19 304.32,20 544.87,21 3.548,22 0.726,23 2,24 0.75,25 2.818,26 418.347,27 5.242,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 388,34 152.883,35 37.568,36 50,37 0.119,38 1.414,39 1.414,40 67.304,41 2.885,42 3.525,43 7.128,44 4.043,45 4.727,46 5.22,47 103.746,48 2.352,49 1.09,50 3.762,51 2,52 3.1,53 47.417,54 3.435,55 3.435,56 18732,57 12.656,58 4.368,59 3.071,60 3.068,61 4.816,62 1.942,63 5.457,64 5273,65 45.885,66 14.768,67 32,68 1.495,69 5.745}
{0 CHEMBL484972,1 2.492,2 2.492,3 3.163,4 3.163,5 188.797,6 2.972,7 10.668,8 300,9 469.89,10 3.434,11 3.698,12 324.015,13 1.491,14 5.941,15 314.225,16 3.665,17 2.491,18 26.333,19 324.46,20 433.32,21 3.475,22 0.868,23 2.288,24 0.785,25 2.774,26 318.147,27 10.377,28 1.687,29 3.296,30 3.296,31 26,32 3.97,33 298,34 153.699,35 40.153,36 51,37 0.134,38 1.386,39 1.386,40 71.899,41 3.037,42 3.698,43 8.159,44 4.06,45 4.745,46 5.283,47 109.3,48 2.375,49 1.398,50 3.777,51 2,52 3.386,53 26.867,54 3.144,55 3.144,56 14954,57 12.629,58 4.533,59 3.315,60 3.32,61 4.558,62 1.85,63 9.611,64 6455,65 48.395,66 16.844,67 34,68 2.039,69 5.197}
{0 CHEMBL485175,1 2.49,2 2.49,3 3.186,4 3.186,5 160.287,6 2.917,7 9.518,8 293,9 454.81,10 3.359,11 3.384,12 313.341,13 1.091,14 5.827,15 311.271,16 3.38,17 2.482,18 23.8,19 297.38,20 431.83,21 3.482,22 0.729,23 2,24 0.514,25 2.5,26 319.03,27 6.669,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 300,34 139.355,35 35.893,36 47.5,37 0.07,38 1.271,39 1.271,40 67.098,41 2.929,42 3.407,43 7.594,44 3.97,45 4.654,46 5.176,47 95.276,48 2.209,49 1.027,50 3.691,51 1.866,52 3.163,53 33.614,54 2.275,55 2.275,56 14844,57 12.362,58 4.128,59 3.106,60 3.111,61 4.54,62 1.5,63 6.766,64 5805,65 44.733,66 14.917,67 28,68 1.56,69 6.582}
{0 CHEMBL485176,1 2.559,2 2.559,3 2.87,4 2.87,5 212.332,6 2.592,7 11.41,8 312,9 490.54,10 3.563,11 3.691,12 332.366,13 1.572,14 5.928,15 334.817,16 4.198,17 2.442,18 30.367,19 359.51,20 466.9,21 3.527,22 1.212,23 3.133,24 0.636,25 2.528,26 344.636,27 9.16,28 1.5,29 3.401,30 3.401,31 29,32 4.078,33 326,34 176.176,35 44.091,36 56.5,37 0.078,38 1.496,39 1.496,40 80.166,41 3.348,42 3.759,43 9.479,44 3.961,45 4.644,46 5.389,47 120.55,48 2.435,49 1.564,50 3.935,51 2.376,52 3.412,53 30.429,54 3.145,55 3.145,56 19336,57 12.656,58 4.322,59 3.256,60 3.286,61 4.663,62 1.518,63 9.995,64 9534,65 48.07,66 18.12,67 37,68 3.123,69 6.416}
{0 CHEMBL485190,1 2.56,2 2.56,3 2.859,4 2.859,5 173.121,6 2.748,7 10.047,8 255,9 398.67,10 3.413,11 3.534,12 274.048,13 1.152,14 5.778,15 269.93,16 3.574,17 2.463,18 26.833,19 316.49,20 372.98,21 3.545,22 0.67,23 2,24 0.604,25 2.5,26 274.74,27 10.195,28 1.437,29 3.258,30 3.258,31 25,32 3.932,33 258,34 146.365,35 38.005,36 49,37 0.107,38 1.271,39 1.271,40 69.313,41 3.01,42 3.579,43 8.046,44 3.839,45 4.522,46 5.231,47 102.599,48 2.213,49 1.467,50 3.762,51 1.943,52 3.295,53 20.495,54 2.48,55 2.48,56 12162,57 12.302,58 4.198,59 3.263,60 3.26,61 4.515,62 1.5,63 10.45,64 6292,65 42.471,66 16.631,67 31,68 2.569,69 5}
{0 CHEMBL485191,1 2.469,2 2.469,3 2.948,4 2.948,5 165.94,6 2.597,7 9.588,8 255,9 398.85,10 3.374,11 3.503,12 271.62,13 1.077,14 5.757,15 270.282,16 3.434,17 2.39,18 25.533,19 302.46,20 368.98,21 3.442,22 0.5,23 2,24 0.528,25 2.5,26 269.806,27 9.584,28 1.415,29 3.219,30 3.219,31 24,32 3.892,33 254,34 143.532,35 36.976,36 47,37 0.077,38 1.26,39 1.26,40 66.33,41 2.913,42 3.569,43 7.948,44 3.818,45 4.5,46 5.198,47 100.253,48 2.201,49 1.381,50 3.734,51 1.866,52 3.246,53 20.495,54 2.275,55 2.275,56 10687,57 12.345,58 4.138,59 3.272,60 3.256,61 4.595,62 1.5,63 10.406,64 5357,65 41.103,66 15.666,67 31,68 2.316,69 5}
{0 CHEMBL485329,1 2.442,2 2.442,3 3.179,4 3.179,5 155.85,6 2.892,7 9.35,8 299,9 464.55,10 3.36,11 3.393,12 318.872,13 1,14 5.851,15 304.68,16 3.268,17 2.492,18 22.119,19 301.79,20 450.54,21 3.408,22 0.5,23 2,24 0.639,25 2.5,26 339.138,27 6.642,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 316,34 145.459,35 35.547,36 44.833,37 0.089,38 1.227,39 1.227,40 65.829,41 2.899,42 3.467,43 7.827,44 3.989,45 4.673,46 5.165,47 97.09,48 2.167,49 0.974,50 3.748,51 1.884,52 3.303,53 24.057,54 2.275,55 2.275,56 14289,57 12.521,58 4.315,59 3.085,60 3.074,61 4.378,62 1.5,63 6.694,64 4746,65 44.042,66 14.27,67 29,68 1.734,69 7.119}
{0 CHEMBL485330,1 2.476,2 2.476,3 3.177,4 3.177,5 166.277,6 2.916,7 9.531,8 301,9 469.07,10 3.359,11 3.47,12 323.037,13 1.142,14 5.871,15 318.362,16 3.378,17 2.488,18 23.8,19 297.38,20 439.56,21 3.448,22 0.71,23 2,24 0.702,25 2.616,26 323.411,27 7.323,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 304,34 143.358,35 36.838,36 47.5,37 0.094,38 1.263,39 1.263,40 66.997,41 2.877,42 3.525,43 7.879,44 4.007,45 4.691,46 5.198,47 99.968,48 2.214,49 1.086,50 3.702,51 1.883,52 3.116,53 36.8,54 2.54,55 2.54,56 13964,57 12.545,58 4.303,59 3.083,60 3.08,61 4.766,62 1.658,63 7.869,64 5293,65 45.218,66 14.917,67 31,68 1.707,69 6.561}
{0 CHEMBL485331,1 2.48,2 2.48,3 3.187,4 3.187,5 165.194,6 2.915,7 9.52,8 301,9 468.79,10 3.359,11 3.397,12 322.9,13 1.025,14 5.871,15 318.362,16 3.376,17 2.492,18 23.8,19 297.38,20 439.54,21 3.448,22 0.746,23 2,24 0.702,25 2.5,26 323.346,27 7.112,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 304,34 143.358,35 36.846,36 47.5,37 0.089,38 1.235,39 1.235,40 66.997,41 2.941,42 3.491,43 7.947,44 4.007,45 4.691,46 5.198,47 99.998,48 2.175,49 1.086,50 3.702,51 2,52 3.135,53 36.8,54 2.275,55 2.275,56 14364,57 12.543,58 4.352,59 3.092,60 3.092,61 4.491,62 1.5,63 7.897,64 5421,65 45.237,66 14.917,67 31,68 1.672,69 7.276}
{0 CHEMBL485336,1 2.56,2 2.56,3 2.859,4 2.859,5 173.121,6 2.748,7 10.047,8 271,9 421.87,10 3.415,11 3.541,12 288.054,13 1.183,14 5.778,15 290.181,16 3.604,17 2.469,18 26.9,19 317.47,20 396.02,21 3.541,22 0.67,23 2,24 0.604,25 2.5,26 291.085,27 9.643,28 1.437,29 3.258,30 3.258,31 25,32 3.932,33 274,34 147.687,35 38.005,36 49.5,37 0.107,38 1.271,39 1.271,40 69.47,41 3.045,42 3.584,43 8.046,44 3.839,45 4.522,46 5.231,47 102.599,48 2.21,49 1.34,50 3.777,51 1.943,52 3.287,53 30.429,54 2.48,55 2.48,56 12714,57 12.302,58 4.198,59 3.285,60 3.274,61 4.543,62 1.5,63 9.99,64 6292,65 42.471,66 16.631,67 31,68 2.446,69 7.656}
{0 CHEMBL485528,1 2.471,2 2.471,3 3.162,4 3.162,5 177.619,6 2.938,7 9.828,8 310,9 483.38,10 3.399,11 3.611,12 329.25,13 1.272,14 5.89,15 328.271,16 3.53,17 2.369,18 25.1,19 311.41,20 447.62,21 3.45,22 0.856,23 2,24 0.646,25 2.65,26 326.825,27 9.203,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 308,34 149.023,35 38.487,36 49.5,37 0.118,38 1.299,39 1.299,40 69.891,41 2.966,42 3.646,43 8.044,44 4.025,45 4.71,46 5.231,47 103.111,48 2.256,49 1.126,50 3.742,51 2,52 3.265,53 36.8,54 2.78,55 2.78,56 14605,57 12.596,58 4.153,59 3.257,60 3.245,61 4.817,62 1.699,63 8.721,64 5808,65 46.53,66 15.879,67 33,68 1.824,69 7.585}
{0 CHEMBL496882,1 1.972,2 1.972,3 2.739,4 2.739,5 89.342,6 2.598,7 6.219,8 206,9 311.17,10 2.918,11 2.63,12 220.275,13 0.059,14 5.585,15 210.93,16 2.149,17 1.27,18 14.3,19 194.25,20 285.89,21 2.967,22 -0.186,23 1.053,24 0.181,25 2.5,26 206.567,27 1.89,28 -0.464,29 2.833,30 2.833,31 16,32 3.497,33 194,34 82.331,35 23.039,36 31,38 0.603,39 0.603,40 44.968,41 2.158,42 2.71,43 4.753,44 3.761,45 4.443,46 4.727,47 57.96,48 1.586,49 0.475,50 3.157,51 0.439,52 2.915,53 26.794,54 -0.822,55 -0.822,56 4622,57 12.217,58 3.247,59 2.967,60 2.945,61 4.214,62 1.128,63 2.443,64 1796,65 33.239,66 9.426,67 17,68 0.723,69 5}
{0 CHEMBL503572,1 2.44,2 2.44,3 2.794,4 2.794,5 152.789,6 2.507,7 9.176,8 259,9 403.37,10 3.336,11 3.393,12 275.127,13 1,14 5.695,15 278.181,16 3.303,17 2.319,18 24.3,19 289.41,20 380.64,21 3.414,22 0.5,23 2,24 0.348,25 2.5,26 280.36,27 7.698,28 1.404,29 3.178,30 3.178,31 23,32 3.85,33 264,34 135.687,35 34.437,36 45.5,37 0.077,38 1.259,39 1.259,40 64.006,41 2.831,42 3.411,43 7.278,44 3.773,45 4.454,46 5.142,47 92.706,48 2.198,49 1.084,50 3.693,51 1.635,52 3.116,53 30.429,54 2.275,55 2.275,56 10540,57 12.199,58 4.126,59 3.078,60 3.078,61 4.453,62 1.473,63 7.442,64 4938,65 39.28,66 14.705,67 27,68 2.093,69 6.627}
{0 CHEMBL503697,1 2.446,2 2.446,3 3.172,4 3.172,5 156.473,6 2.882,7 9.362,8 299,9 464.84,10 3.36,11 3.493,12 319.009,13 1.127,14 5.851,15 304.68,16 3.271,17 2.49,18 22.119,19 301.79,20 450.56,21 3.413,22 0.664,23 2,24 0.639,25 2.612,26 339.203,27 6.783,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 316,34 145.459,35 35.543,36 44.833,37 0.094,38 1.253,39 1.253,40 65.829,41 2.872,42 3.546,43 7.717,44 3.989,45 4.673,46 5.165,47 97.078,48 2.2,49 0.973,50 3.748,51 1.883,52 3.299,53 24.057,54 2.52,55 2.52,56 13889,57 12.523,58 4.251,59 3.079,60 3.069,61 4.682,62 1.653,63 6.831,64 4682,65 44.046,66 14.27,67 29,68 1.734,69 6.801}
{0 CHEMBL505105,1 2.159,2 2.159,3 2.897,4 2.897,5 97.037,6 2.5,7 6.376,8 222,9 336.22,10 2.993,11 2.7,12 237.25,13 0.612,14 5.611,15 228.338,16 2.278,17 1.022,18 15.7,19 209.27,20 309.11,21 3.109,22 -0.076,23 1.041,24 0.299,25 2.5,26 223.303,27 2.794,28 0.527,29 2.89,30 2.89,31 17,32 3.555,33 210,34 88.996,35 24.561,36 33.5,37 0.021,38 0.775,39 0.775,40 48.754,41 2.295,42 2.81,43 5.252,44 3.784,45 4.466,46 4.779,47 60.882,48 1.74,49 0.534,50 3.223,51 0.586,52 2.966,53 24.466,54 0.685,55 0.685,56 5853,57 12.243,58 3.247,59 2.952,60 2.944,61 3.958,62 1.286,63 2.803,64 2197,65 34.428,66 10.352,67 19,68 0.749,69 5}
{0 CHEMBL508821,1 2.532,2 2.532,3 2.85,4 2.85,5 171.95,6 2.629,7 9.755,8 264,9 410.28,10 3.415,11 3.539,12 280.31,13 1.188,14 5.741,15 282.271,16 3.585,17 2.091,18 26.9,19 317.47,20 390.84,21 3.506,22 0.666,23 2,24 0.451,25 2.5,26 288.279,27 9.615,28 1.438,29 3.258,30 3.258,31 25,32 3.932,33 272,34 144.133,35 37.227,36 49.5,37 0.091,38 1.414,39 1.414,40 70.199,41 3.041,42 3.591,43 8.051,44 3.818,45 4.5,46 5.209,47 98.263,48 2.31,49 1.334,50 3.751,51 1.943,52 3.287,53 30.429,54 2.482,55 2.482,56 12795,57 12.227,58 4.119,59 3.285,60 3.274,61 4.679,62 1.5,63 10.068,64 6343,65 41.824,66 16.631,67 32,68 2.533,69 7.125}
{0 CHEMBL509096,1 2.479,2 2.479,3 2.745,4 2.745,5 149.437,6 2.5,7 8.872,8 248,9 386.4,10 3.336,11 3.352,12 264.302,13 1.088,14 5.653,15 265.362,16 3.274,17 2.084,18 24.3,19 289.41,20 373.74,21 3.47,22 0.5,23 2,24 0.403,25 2.497,26 277.559,27 6.857,28 1.151,29 3.178,30 3.178,31 23,32 3.85,33 262,34 131.856,35 33.936,36 45.5,37 0.067,38 1.109,39 1.109,40 64.827,41 2.885,42 3.352,43 7.349,44 3.75,45 4.431,46 5.118,47 88.637,48 2.028,49 1.081,50 3.657,51 1.57,52 3.175,53 30.429,54 2.275,55 2.275,56 11132,57 12.123,58 3.638,59 3.145,60 3.139,61 4.471,62 1.451,63 7.385,64 5190,65 38.796,66 14.705,67 26,68 2.082,69 6.229}
{0 CHEMBL519332,1 2.932,2 2.932,3 3.229,4 3.229,5 210.275,6 3.135,7 12.415,8 438,9 711.47,10 3.548,11 3.795,12 470.579,13 1.924,14 6.086,15 495.423,16 5.025,17 2.557,18 29.857,19 369.34,20 722.13,21 3.844,22 0.899,23 2.602,24 0.979,25 2.97,26 566.272,27 7.342,28 1.812,29 3.367,30 3.367,31 28,32 4.043,33 522,34 182.577,35 43.604,36 61.5,37 0.196,38 1.747,39 1.747,40 79.103,41 3.399,42 3.88,43 7.947,44 4.159,45 4.844,46 5.398,47 125.8,48 2.692,49 1.497,50 4.043,51 2,52 3.444,53 90.801,54 3.549,55 3.549,56 34824,57 12.904,58 4.847,59 3.09,60 3.118,61 4.766,62 1.971,63 8.214,64 8289,65 52.241,66 18.529,67 37,68 1.731,69 7.495}
{0 CHEMBL519341,1 2.453,2 2.453,3 3.16,4 3.16,5 157.429,6 2.862,7 9.256,8 300,9 468.18,10 3.36,11 3.507,12 319.803,13 1.162,14 5.851,15 305.68,16 3.276,17 2.331,18 22.119,19 301.79,20 451.16,21 3.427,22 0.628,23 2,24 0.556,25 2.646,26 339.033,27 6.716,28 1.5,29 3.178,30 3.178,31 23,32 3.85,33 316,34 148.411,35 35.727,36 44.833,37 0.101,38 1.296,39 1.296,40 65.93,41 2.925,42 3.632,43 7.953,44 3.989,45 4.673,46 5.165,47 97.505,48 2.248,49 0.961,50 3.748,51 1.884,52 3.292,53 24.057,54 2.778,55 2.778,56 13489,57 12.568,58 4.136,59 3.074,60 3.065,61 4.628,62 1.694,63 6.971,64 4618,65 44.04,66 14.27,67 30,68 1.74,69 7.553}
{0 CHEMBL520300,1 2.388,2 2.388,3 3.13,4 3.13,5 145.55,6 2.669,7 8.729,8 277,9 429.41,10 3.265,11 3.301,12 295.707,13 1,14 5.785,15 291.93,16 3.095,17 2.02,18 21.133,19 268.34,20 400.55,21 3.373,22 0.5,23 2,24 0.528,25 2.5,26 294.154,27 5.81,28 1.5,29 3.135,30 3.135,31 22,32 3.807,33 276,34 130.033,35 33.478,36 43,37 0.065,38 1.118,39 1.118,40 60.791,41 2.7,42 3.359,43 7.128,44 3.932,45 4.615,46 5.106,47 90.726,48 2.069,49 0.949,50 3.608,51 1.555,52 3.068,53 38.651,54 2.275,55 2.275,56 11178,57 12.416,58 4.119,59 3.045,60 3.041,61 4.482,62 1.5,63 6.307,64 4163,65 42.21,66 12.98,67 27,68 1.498,69 5.32}
{0 CHEMBL520639,1 2.491,2 2.491,3 3.188,4 3.188,5 174.125,6 2.924,7 9.9,8 309,9 479.97,10 3.399,11 3.477,12 328.395,13 1.334,14 5.89,15 327.271,16 3.525,17 2.493,18 25.1,19 311.41,20 447.02,21 3.455,22 0.851,23 2,24 0.729,25 2.5,26 326.955,27 8.152,28 1.5,29 3.258,30 3.258,31 25,32 3.932,33 308,34 147.691,35 38.323,36 49.5,37 0.102,38 1.247,39 1.247,40 69.79,41 3.046,42 3.553,43 8.067,44 4.025,45 4.71,46 5.231,47 102.643,48 2.184,49 1.122,50 3.742,51 2,52 3.272,53 36.8,54 2.275,55 2.275,56 15605,57 12.548,58 4.358,59 3.26,60 3.25,61 4.607,62 1.5,63 8.518,64 6192,65 46.53,66 15.879,67 32,68 1.748,69 7.013}
{0 CHEMBL520677,1 2.468,2 2.468,3 3.162,4 3.162,5 167.87,6 2.917,7 9.447,8 302,9 472.19,10 3.359,11 3.516,12 323.754,13 1.167,14 5.871,15 319.362,16 3.382,17 2.328,18 23.8,19 297.38,20 440.14,21 3.447,22 0.729,23 2,24 0.618,25 2.649,26 323.217,27 8.065,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 304,34 144.691,35 37.03,36 47.5,37 0.118,38 1.298,39 1.298,40 67.098,41 2.877,42 3.59,43 7.909,44 4.007,45 4.691,46 5.198,47 100.469,48 2.254,49 1.09,50 3.702,51 2,52 3.077,53 36.8,54 2.779,55 2.779,56 13564,57 12.591,58 4.147,59 3.074,60 3.065,61 4.717,62 1.697,63 8.08,64 5165,65 45.237,66 14.917,67 32,68 1.737,69 7.387}
{0 CHEMBL520837,1 2.605,2 2.605,3 3.214,4 3.214,5 167.59,6 2.899,7 9.858,8 348,9 544.88,10 3.419,11 3.558,12 371.987,13 1.502,14 5.912,15 365.478,16 3.514,17 2.492,18 23.733,19 320.77,20 544.95,21 3.531,22 0.726,23 2,24 0.75,25 2.818,26 418.445,27 5.831,28 1.5,29 3.219,30 3.219,31 24,32 3.892,33 388,34 162.037,35 37.568,36 48.833,37 0.119,38 1.414,39 1.414,40 69.614,41 2.964,42 3.602,43 7.717,44 4.043,45 4.727,46 5.22,47 103.746,48 2.318,49 1.005,50 3.824,51 2,52 3.302,53 41.797,54 3.435,55 3.435,56 18720,57 12.656,58 4.368,59 3.06,60 3.057,61 4.927,62 1.942,63 5.727,64 5273,65 45.885,66 15.104,67 32,68 1.619,69 6.225}
{0 CHEMBL521175,1 2.551,2 2.551,3 3.191,4 3.191,5 184.484,6 2.973,7 10.741,8 299,9 467.41,10 3.434,11 3.547,12 323.375,13 1.481,14 5.941,15 313.225,16 3.665,17 2.494,18 26.333,19 324.46,20 432.8,21 3.529,22 0.862,23 2.272,24 0.757,25 2.829,26 318.374,27 9.091,28 1.5,29 3.296,30 3.296,31 26,32 3.97,33 298,34 152.699,35 39.969,36 51,37 0.131,38 1.45,39 1.45,40 71.798,41 3.147,42 3.619,43 8.174,44 4.06,45 4.745,46 5.283,47 108.815,48 2.438,49 1.374,50 3.777,51 2,52 3.384,53 26.867,54 3.447,55 3.447,56 15954,57 12.583,58 4.499,59 3.316,60 3.321,61 4.288,62 1.903,63 9.072,64 6967,65 48.393,66 16.844,67 33,68 1.921,69 5.514}
{0 CHEMBL525075,1 2.388,2 2.388,3 3.13,4 3.13,5 145.55,6 2.669,7 8.729,8 277,9 429.85,10 3.265,11 3.299,12 296.003,13 1,14 5.785,15 291.93,16 3.096,17 2.02,18 21.133,19 268.34,20 400.59,21 3.372,22 0.5,23 2,24 0.528,25 2.5,26 294.285,27 5.729,28 1.5,29 3.135,30 3.135,31 22,32 3.807,33 276,34 130.199,35 33.478,36 43,37 0.065,38 1.118,39 1.118,40 60.791,41 2.704,42 3.362,43 7.128,44 3.932,45 4.615,46 5.106,47 90.726,48 2.085,49 0.957,50 3.608,51 1.555,52 3.072,53 38.651,54 2.275,55 2.275,56 11078,57 12.416,58 4.119,59 3.062,60 3.055,61 4.628,62 1.5,63 5.962,64 4163,65 42.21,66 12.98,67 27,68 1.498,69 5.122}
{0 CHEMBL538325,1 2.557,2 2.557,3 2.941,4 2.941,5 131.551,6 2.294,7 8.363,8 253,9 399.17,10 3.161,11 3.601,12 270.173,13 0.651,14 5.74,15 272.857,16 3.273,17 2.39,18 22.033,19 256.29,20 406.3,21 3.56,23 1.675,24 1.032,25 2.139,26 322.631,27 4.534,28 -0.169,29 2.996,30 2.996,31 19,32 3.664,33 292,34 134.993,35 33.047,36 42,38 1,39 1,40 53.411,41 2.054,42 3.616,43 6.404,44 3.611,45 4.29,46 5.069,47 96.582,48 2.006,49 0.801,50 3.563,51 1.195,52 3.115,54 -0.48,55 -0.48,56 8262,57 12.971,58 4.327,59 2.918,60 2.95,61 4.712,62 1.107,63 5.327,64 2115,65 32.666,66 13.305,67 28,68 1.973,69 5}
{0 CHEMBL566581,1 2.581,2 2.581,3 3.498,4 3.498,5 210.65,6 3.1,7 11.494,8 417,9 649.78,10 3.6,11 3.889,12 446.731,13 1.542,14 6.085,15 431.257,16 4.034,17 2.471,18 27.748,19 371.48,20 611.74,21 3.509,22 1.114,23 2.536,24 0.861,25 2.902,26 455.446,27 7.989,28 1.75,29 3.367,30 3.367,31 28,32 4.043,33 424,34 190.91,35 43.69,36 57,37 0.115,38 1.55,39 1.55,40 82.945,41 3.608,42 3.982,43 9.498,44 4.238,45 4.924,46 5.361,47 119.148,48 2.47,49 1.325,50 3.974,51 2.185,52 3.419,53 26.939,54 3.165,55 3.165,56 25025,57 12.844,58 4.611,59 3.394,60 3.382,61 4.772,62 1.979,63 7.592,64 7981,65 55.245,66 18.403,67 38,68 1.85,69 5}
{0 CHEMBL575060,1 1.211,2 1.211,3 1.414,4 1.414,5 40.311,6 0.433,7 4.192,8 127,9 190.22,10 2.513,11 2.353,12 137.476,13 -0.815,14 4.787,15 140.967,16 1.469,17 0.467,18 13.167,19 147.15,20 236.6,21 2.21,24 0.222,26 202.056,27 0.429,28 -1.749,29 2.303,30 2.303,31 9,32 2.944,33 180,34 47.09,35 13.245,36 24.5,38 -1,39 -1,40 29.818,41 0.007,42 2.378,43 2.337,44 2.773,45 3.434,46 4.143,47 31.71,48 -0.095,49 0.207,50 2.804,52 2.481,54 -3.972,55 -3.972,56 2409,57 11.196,58 1.288,59 2.259,60 2.305,61 3.827,62 -1.414,63 1.042,64 373,65 14.869,66 9.234,67 9,68 0.195,69 5.163}
{0 CHEMBL579062,1 2.811,2 2.811,3 3.748,4 3.748,5 242.76,6 3.28,7 12.323,8 447,9 701.33,10 3.576,11 3.834,12 475.696,13 1.768,14 6.223,15 483.988,16 4.481,17 2.641,18 28.895,19 368.42,20 649.52,21 3.775,22 1.345,23 2.855,24 1.046,25 3.076,26 482.568,27 7.795,28 2.001,29 3.434,30 3.434,31 30,32 4.111,33 448,34 202.704,35 49.492,36 60,37 0.18,38 1.724,39 1.724,40 81.471,41 3.502,42 4.045,43 9.909,44 4.36,45 5.047,46 5.485,47 143.134,48 2.723,49 1.795,50 3.993,51 2.359,52 3.452,53 35.089,54 4.015,55 4.015,56 26710,57 13.208,58 5.006,59 3.426,60 3.421,61 4.908,62 2.202,63 8.596,64 8618,65 60.521,66 17.663,67 47,68 2.19,69 5}
{0 CHEMBL593013,1 2.867,2 2.867,3 3.583,4 3.583,5 325.86,6 3.582,7 15.144,8 447,9 698.12,10 3.766,11 4.083,12 474.543,13 2.307,14 6.391,15 462.758,16 5.566,17 2.687,18 35.867,19 454.6,20 635.29,21 3.859,22 2.478,23 3.467,24 1.327,25 3.391,26 464.545,27 14.984,28 2.258,29 3.664,30 3.664,31 38,32 4.344,33 434,34 233.634,35 59.677,36 72,37 0.185,38 2.057,39 2.057,40 101.153,41 3.872,42 4.209,43 13.388,44 4.516,45 5.204,46 5.694,47 172.091,48 3.046,49 1.957,50 4.157,51 3.26,52 3.706,53 41.728,54 5.123,55 5.123,56 43601,57 13.286,58 5.337,59 3.719,60 3.713,61 5.139,62 2.671,63 16.637,64 18426,65 73.725,66 22.714,67 57,68 3.661,69 7.56}
{0 CHEMBL593056,1 2.962,2 2.962,3 3.404,4 3.404,5 244.663,6 3.179,7 13.097,8 437,9 705.2,10 3.665,11 4.089,12 466.075,13 1.772,14 6.207,15 468.426,16 5.117,17 2.459,18 31.229,19 408.89,20 691.04,21 3.899,22 1.359,23 3.015,24 1.053,25 3.069,26 530.342,27 9.295,28 2.011,29 3.466,30 3.466,31 31,32 4.143,33 492,34 215.753,35 48.747,36 62.833,37 0.172,38 1.675,39 1.675,40 87.475,41 3.618,42 4.114,43 9.955,44 4.327,45 5.014,46 5.509,47 144.403,48 2.621,49 1.796,50 4.142,51 2.55,52 3.512,53 70.538,54 4.299,55 4.299,56 35839,57 13.204,58 5.042,59 3.338,60 3.344,61 4.887,62 2.189,63 10.639,64 10660,65 59.851,66 19.384,67 46,68 2.965,69 6.2}
{0 CHEMBL593168,1 2.917,2 2.917,3 3.541,4 3.541,5 239.265,6 3.513,7 12.733,8 452,9 720.76,10 3.617,11 4.141,12 479.83,13 1.836,14 6.273,15 482.581,16 4.998,17 2.797,18 28.729,19 390.82,20 711.01,21 3.835,22 1.164,23 2.981,24 1.386,25 3.151,26 547.973,27 7.712,28 1.956,29 3.434,30 3.434,31 30,32 4.111,33 506,34 208.12,35 47.509,36 60.833,37 0.156,38 1.533,39 1.533,40 84.3,41 3.585,42 4.125,43 9.346,44 4.353,45 5.04,46 5.485,47 140.687,48 2.497,49 1.487,50 4.058,51 2.344,52 3.579,53 102.088,54 4,55 4,56 32231,57 13.284,58 5.401,59 3.407,60 3.42,61 4.949,62 2.254,63 8.643,64 8790,65 59.38,66 18.009,67 43,68 2.189,69 6.85}
{0 CHEMBL593196,1 2.472,2 2.472,3 3.036,4 3.036,5 185.621,6 3.058,7 9.978,8 282,9 437.15,10 3.41,11 3.496,12 298.39,13 1.182,14 5.964,15 290.099,16 3.593,17 1.862,18 24.2,19 305.46,20 376.68,21 3.415,22 0.881,23 2.406,24 0.671,25 2.824,26 262.624,27 8.924,28 1.5,29 3.296,30 3.296,31 26,32 3.97,33 250,34 155.077,35 39.666,36 47.5,37 0.078,38 1.364,39 1.364,40 69.501,41 3.052,42 3.619,43 8.836,44 4.155,45 4.84,46 5.283,47 110.524,48 2.353,49 1.491,50 3.755,51 2,52 3.366,53 10.353,54 2.697,55 2.697,56 12672,57 12.789,58 4.434,59 3.332,60 3.334,61 4.559,62 1.963,63 9.918,64 6479,65 50.886,66 14.62,67 35,68 2.687,69 5.2}
{0 CHEMBL593248,1 2.8,2 2.8,3 3.55,4 3.55,5 268.057,6 3.224,7 12.353,8 415,9 644.31,10 3.631,11 3.958,12 438.043,13 1.594,14 6.288,15 428.38,16 4.567,17 2.524,18 28.6,19 379.5,20 556.46,21 3.757,22 2.351,23 3.247,24 0.99,25 3.129,26 391.525,27 10.022,28 2.011,29 3.526,30 3.526,31 33,32 4.205,33 370,34 203.24,35 50.867,36 60.5,37 0.11,38 1.545,39 1.545,40 88.581,41 3.514,42 4.047,43 11.332,44 4.446,45 5.133,46 5.525,47 143.296,48 2.512,49 1.668,50 3.981,51 3.012,52 3.583,53 59.527,54 3.652,55 3.652,56 27294,57 13.17,58 4.603,59 3.52,60 3.527,61 4.414,62 2.214,63 11.732,64 11780,65 67.174,66 17.789,67 49,68 2.829,69 5.5}
{0 CHEMBL593300,1 2.472,2 2.472,3 3.036,4 3.036,5 185.621,6 3.058,7 9.978,8 298,9 462.99,10 3.424,11 3.497,12 315.456,13 1.236,14 5.964,15 308.915,16 3.563,17 1.935,18 24.3,19 306.45,20 399.96,21 3.413,22 0.881,23 2.406,24 0.671,25 2.824,26 279.166,27 8.536,28 1.5,29 3.296,30 3.296,31 26,32 3.97,33 266,34 157.963,35 39.666,36 48,37 0.078,38 1.364,39 1.364,40 70.076,41 3.058,42 3.62,43 8.836,44 4.155,45 4.84,46 5.283,47 110.524,48 2.353,49 1.413,50 3.766,51 2,52 3.36,53 13.049,54 2.697,55 2.697,56 13324,57 12.789,58 4.434,59 3.311,60 3.317,61 4.506,62 1.963,63 9.177,64 6479,65 50.886,66 14.583,67 35,68 2.382,69 4.8}
{0 CHEMBL593399,1 2.769,2 2.769,3 3.57,4 3.57,5 238.455,6 3.232,7 11.739,8 401,9 625.87,10 3.572,11 3.854,12 425.921,13 1.71,14 6.203,15 420.014,16 4.181,17 2.633,18 28.6,19 361.5,20 542.49,21 3.708,22 1.494,23 2.778,24 1.094,25 3.188,26 384.419,27 9.393,28 1.984,29 3.434,30 3.434,31 30,32 4.111,33 362,34 192.07,35 47.603,36 57.5,37 0.189,38 1.605,39 1.605,40 81.917,41 3.337,42 4.014,43 10.259,44 4.327,45 5.014,46 5.451,47 134.036,48 2.558,49 1.66,50 3.944,51 2.382,52 3.399,53 59.098,54 4.049,55 4.049,56 21246,57 13.136,58 4.702,59 3.383,60 3.377,61 4.519,62 2.182,63 9.496,64 8937,65 58.766,66 17.761,67 46,68 2.443,69 5.64}
{0 CHEMBL593477,1 2.726,2 2.726,3 3.539,4 3.539,5 213.986,6 3.166,7 10.46,8 377,9 587.65,10 3.504,11 3.734,12 399.262,13 1.593,14 6.109,15 395.31,16 3.878,17 2.377,18 26,19 333.44,20 515.65,21 3.656,22 1.494,23 2.768,24 0.872,25 2.959,26 366.844,27 7.517,28 1.611,29 3.367,30 3.367,31 28,32 4.043,33 346,34 177.737,35 43.536,36 53.5,37 0.106,38 1.488,39 1.488,40 77.282,41 3.24,42 3.892,43 9.694,44 4.245,45 4.931,46 5.361,47 121.351,48 2.444,49 1.46,50 3.852,51 2.299,52 3.388,53 71.679,54 2.696,55 2.696,56 18796,57 13.017,58 4.464,59 3.373,60 3.366,61 4.533,62 1.939,63 8.826,64 7375,65 55.094,66 15.866,67 42,68 2.254,69 5.5}
{0 CHEMBL593532,1 2.786,2 2.786,3 3.236,4 3.236,5 260.963,6 3.397,7 13.768,8 489,9 789.83,10 3.713,11 4.147,12 521.839,13 1.946,14 6.25,15 532.928,16 5.39,17 2.811,18 32.843,19 427.87,20 786.79,21 3.666,22 1.399,23 3.048,24 1.521,25 3.274,26 609.146,27 11.319,28 2.189,29 3.497,30 3.497,31 32,32 4.174,33 564,34 226.439,35 50.842,36 66.833,37 0.239,38 1.898,39 1.898,40 91.233,41 3.504,42 4.195,43 9.908,44 4.366,45 5.053,46 5.549,47 150.73,48 2.834,49 1.906,50 4.203,51 2.487,52 3.541,53 67.479,54 4.905,55 4.905,56 42598,57 13.259,58 5.038,59 3.311,60 3.325,61 4.884,62 2.468,63 10.102,64 11063,65 61.644,66 20.243,67 48,68 2.745,69 6.9}
{0 CHEMBL593590,1 2.57,2 2.57,3 3.334,4 3.334,5 200.427,6 2.831,7 10.648,8 342,9 530.64,10 3.518,11 3.93,12 363.679,13 1.592,14 5.967,15 348.851,16 3.882,17 2.333,18 27.452,19 358.91,20 501.73,21 3.534,22 1.153,23 2.403,24 0.66,25 2.807,26 373.246,27 8.974,28 1.5,29 3.332,30 3.332,31 27,32 4.007,33 348,34 172.706,35 41.698,36 53.333,37 0.078,38 1.462,39 1.462,40 78.085,41 3.464,42 3.915,43 9.424,44 4.094,45 4.779,46 5.313,47 112.548,48 2.455,49 1.332,50 3.887,51 2,52 3.383,53 48.305,54 3.091,55 3.091,56 17374,57 12.695,58 4.583,59 3.283,60 3.256,61 5.054,62 1.836,63 10.118,64 7197,65 49.753,66 18,67 39,68 2.406,69 5}
{0 CHEMBL593744,1 2.503,2 2.503,3 3.038,4 3.038,5 196.451,6 3.128,7 10.6,8 316,9 490.41,10 3.501,11 3.58,12 334.9,13 1.388,14 6.019,15 316.961,16 3.756,17 2.223,18 25.286,19 339.9,20 448.03,21 3.438,22 1.092,23 2.511,24 0.782,25 2.841,26 324.716,27 9.43,28 1.629,29 3.332,30 3.332,31 27,32 4.007,33 306,34 171.835,35 41.74,36 49.833,37 0.103,38 1.444,39 1.444,40 75.039,41 3.237,42 3.705,43 9.536,44 4.201,45 4.887,46 5.333,47 116.803,48 2.415,49 1.48,50 3.881,51 2,52 3.407,53 13.854,54 2.966,55 2.966,56 17359,57 12.862,58 4.773,59 3.334,60 3.336,61 4.725,62 1.986,63 10.361,64 7268,65 52.683,66 15.829,67 37,68 2.85,69 5.3}
{0 CHEMBL593745,1 2.854,2 2.854,3 3.289,4 3.289,5 230.231,6 3.155,7 12.558,8 388,9 625.77,10 3.582,11 3.675,12 413.209,13 1.446,14 6.161,15 424.099,16 4.844,17 2.241,18 30.043,19 373.46,20 596.71,21 3.836,22 1.305,23 2.982,24 1.025,25 3.049,26 451.134,27 9.21,28 1.964,29 3.434,30 3.434,31 30,32 4.111,33 420,34 193.553,35 46.578,36 60,37 0.119,38 1.674,39 1.674,40 81.382,41 3.515,42 3.885,43 9.247,44 4.287,45 4.973,46 5.468,47 137.671,48 2.619,49 1.907,50 4.04,51 2.377,52 3.402,53 58.419,54 3.767,55 3.767,56 29980,57 13.125,58 4.785,59 3.338,60 3.344,61 4.686,62 2.167,63 10.686,64 9971,65 58.019,66 18.219,67 43,68 2.822,69 5.7}
{0 CHEMBL593755,1 2.786,2 2.786,3 3.401,4 3.401,5 272.013,6 3.482,7 13.937,8 497,9 799.32,10 3.727,11 4.145,12 531.234,13 2.046,14 6.323,15 533.004,16 5.457,17 2.883,18 32.829,19 434.89,20 782.11,21 3.668,22 2,23 3.039,24 1.639,25 3.258,26 600.968,27 11.454,28 2.275,29 3.526,30 3.526,31 33,32 4.205,33 556,34 229.195,35 52.229,36 67.833,37 0.247,38 1.858,39 1.858,40 93.949,41 3.525,42 4.213,43 10.667,44 4.404,45 5.091,46 5.572,47 153.496,48 2.804,49 1.953,50 4.203,51 2.827,52 3.547,53 92.603,54 4.94,55 4.94,56 45217,57 13.314,58 5.131,59 3.38,60 3.397,61 4.929,62 2.46,63 10.275,64 12146,65 64.024,66 20.779,67 50,68 2.788,69 7.3}
{0 CHEMBL593756,1 3.127,2 3.127,3 3.653,4 3.653,5 298.555,6 3.523,7 15.726,8 561,9 925.16,10 3.809,11 4.265,12 600.146,13 1.977,14 6.365,15 623.595,16 6.564,17 2.88,18 37.171,19 477.88,20 935.47,21 4.028,22 2,23 3.414,24 1.827,25 3.281,26 735.564,27 11.566,28 2.308,29 3.584,30 3.584,31 35,32 4.263,33 678,34 255.005,35 56.057,36 75.833,37 0.272,38 2.037,39 2.037,40 99.885,41 3.679,42 4.322,43 10.243,44 4.44,45 5.127,46 5.659,47 171.468,48 2.942,49 2.2,50 4.356,51 2.907,52 3.584,53 106.424,54 5.116,55 5.116,56 63639,57 13.443,58 5.264,59 3.377,60 3.403,61 4.759,62 2.48,63 10.663,64 14316,65 66.906,66 23.005,67 54,68 2.863,69 5.7}
{0 CHEMBL594011,1 2.952,2 2.952,3 3.382,4 3.382,5 258.992,6 3.204,7 13.31,8 462,9 746.95,10 3.704,11 4.084,12 490.353,13 1.84,14 6.221,15 496.947,16 5.266,17 2.513,18 32.629,19 423.91,20 722.5,21 3.843,22 1.528,23 2.98,24 1.414,25 3.074,26 550.468,27 11.268,28 2.009,29 3.497,30 3.497,31 32,32 4.174,33 512,34 225.088,35 50.2,36 65.333,37 0.214,38 1.701,39 1.701,40 91.148,41 3.554,42 4.137,43 10.212,44 4.341,45 5.027,46 5.533,47 147.122,48 2.643,49 1.792,50 4.175,51 2.68,52 3.544,53 61.43,54 4.608,55 4.608,56 37222,57 13.218,58 5.027,59 3.373,60 3.371,61 4.934,62 2.212,63 10.598,64 11171,65 60.824,66 20.305,67 48,68 2.811,69 7.2}
{0 CHEMBL594204,1 2.785,2 2.785,3 3.13,4 3.13,5 283.588,6 3.322,7 14.081,8 482,9 779.92,10 3.772,11 4.252,12 515.209,13 1.947,14 6.248,15 519.675,16 5.551,17 2.702,18 35.395,19 453.94,20 771.74,21 3.664,22 2,23 3.254,24 1.494,25 3.133,26 592.605,27 13.285,28 1.989,29 3.555,30 3.555,31 34,32 4.234,33 552,34 231.911,35 52.777,36 70.333,37 0.235,38 1.761,39 1.761,40 98.355,41 3.671,42 4.268,43 10.535,44 4.366,45 5.053,46 5.58,47 152.228,48 2.692,49 2.045,50 4.222,51 2.889,52 3.539,53 58.358,54 4.617,55 4.617,56 44132,57 13.227,58 5.048,59 3.382,60 3.388,61 5.06,62 2.322,63 11.532,64 12913,65 63.341,66 22.191,67 50,68 2.978,69 6.8}
{0 CHEMBL594205,1 2.503,2 2.503,3 3.06,4 3.06,5 229.526,6 3.141,7 11.547,8 387,9 606.4,10 3.639,11 3.875,12 413.335,13 1.662,14 6.068,15 398.787,16 4.126,17 2.313,18 29.652,19 386.93,20 572.51,21 3.425,22 1.418,23 2.963,24 0.889,25 2.841,26 421.499,27 10.086,28 1.653,29 3.434,30 3.434,31 30,32 4.111,33 398,34 194.75,35 45.785,36 58.333,37 0.115,38 1.465,39 1.465,40 86.873,41 3.561,42 3.89,43 10.163,44 4.245,45 4.931,46 5.416,47 124.774,48 2.391,49 1.501,50 3.99,51 2.379,52 3.448,53 31.887,54 3.077,55 3.077,56 26472,57 12.888,58 4.815,59 3.382,60 3.387,61 4.869,62 1.987,63 8.945,64 9513,65 56.281,66 18.479,67 41,68 2.576,69 6.3}
{0 CHEMBL594236,1 2.508,2 2.508,3 3.454,4 3.454,5 273.444,6 3.337,7 13.144,8 433,9 674.32,10 3.723,11 3.987,12 459.282,13 1.665,14 6.241,15 442.06,16 4.677,17 2.674,18 30.986,19 418.97,20 612.84,21 3.5,22 2.189,23 3.414,24 0.976,25 3.136,26 442.891,27 11.072,28 2.052,29 3.555,30 3.555,31 34,32 4.234,33 418,34 216.868,35 51.36,36 63.333,37 0.152,38 1.715,39 1.715,40 94.772,41 3.775,42 3.967,43 11.602,44 4.434,45 5.121,46 5.549,47 143.17,48 2.662,49 1.72,50 4.091,51 2.964,52 3.686,53 35.073,54 3.977,55 3.977,56 34353,57 13.025,58 5.032,59 3.542,60 3.548,61 4.83,62 2.35,63 10.092,64 13159,65 66.868,66 19.347,67 46,68 2.979,69 6.9}
{0 CHEMBL594334,1 2.775,2 2.775,3 3.458,4 3.458,5 265.713,6 3.544,7 13.605,8 477,9 755.06,10 3.657,11 4.031,12 507.355,13 1.678,14 6.337,15 518.201,16 5.335,17 2.809,18 31.11,19 407.42,20 733.89,21 3.707,22 2.221,23 3.157,24 1.32,25 3.154,26 557.749,27 7.629,28 2.085,29 3.526,30 3.526,31 33,32 4.205,33 518,34 205.574,35 50.471,36 67,37 0.132,38 1.56,39 1.56,40 91.16,41 3.576,42 4.051,43 10.16,44 4.469,45 5.156,46 5.541,47 144.943,48 2.528,49 1.614,50 4.087,51 2.957,52 3.557,53 115.259,54 3.984,55 3.984,56 43846,57 13.264,58 5.226,59 3.408,60 3.423,61 4.926,62 2.273,63 9.149,64 12730,65 67.149,66 19.857,67 46,68 2.156,69 6.8}
{0 CHEMBL594386,1 2.875,2 2.875,3 3.544,4 3.544,5 249.101,6 3.227,7 12.816,8 467,9 743.65,10 3.631,11 4.033,12 496.409,13 1.596,14 6.24,15 513.31,16 5.041,17 2.916,18 30.543,19 387.41,20 719.77,21 3.776,22 2,23 3.135,24 1.278,25 3.131,26 546.741,27 7.621,28 1.896,29 3.466,30 3.466,31 31,32 4.143,33 508,34 204.467,35 48.07,36 64,37 0.139,38 1.539,39 1.539,40 86.411,41 3.584,42 4.073,43 9.694,44 4.327,45 5.014,46 5.493,47 140.427,48 2.493,49 1.679,50 4.079,51 2.521,52 3.51,53 116.559,54 3.928,55 3.928,56 36289,57 13.181,58 4.715,59 3.371,60 3.383,61 4.533,62 2.116,63 8.97,64 9916,65 60.295,66 18.528,67 45,68 2.316,69 6.07}
{0 CHEMBL594428,1 2.503,2 2.503,3 3.06,4 3.06,5 219.2,6 3.14,7 11.193,8 371,9 580.09,10 3.594,11 3.806,12 393.155,13 1.398,14 6.052,15 380.06,16 4.004,17 2.258,18 28.186,19 370.93,20 529.15,21 3.425,22 1.322,23 2.957,24 0.889,25 2.841,26 383.724,27 10.288,28 1.639,29 3.401,30 3.401,31 29,32 4.078,33 362,34 188.701,35 44.495,36 55.333,37 0.103,38 1.446,39 1.446,40 82.666,41 3.44,42 3.85,43 9.894,44 4.23,45 4.916,46 5.389,47 122.385,48 2.387,49 1.492,50 3.962,51 2.262,52 3.449,53 31.887,54 2.984,55 2.984,56 22255,57 12.885,58 4.815,59 3.446,60 3.433,61 4.824,62 1.987,63 8.962,64 8650,65 55.131,66 17.564,67 40,68 2.633,69 6.1}
{0 CHEMBL594673,1 2.503,2 2.503,3 2.929,4 2.929,5 182.734,6 3.032,7 10.179,8 347,9 539.72,10 3.488,11 3.487,12 368.598,13 1.39,14 5.964,15 354.792,16 3.58,17 2.145,18 24.286,19 328.84,20 500.11,21 3.423,22 1.009,23 2.477,24 0.608,25 2.841,26 365.6,27 6.588,28 1.617,29 3.296,30 3.296,31 26,32 3.97,33 344,34 169.369,35 39.345,36 49.333,37 0.094,38 1.44,39 1.44,40 73.743,41 3.214,42 3.592,43 8.913,44 4.155,45 4.84,46 5.283,47 109.131,48 2.383,49 1.157,50 3.862,51 2,52 3.367,53 46.774,54 2.944,55 2.944,56 18924,57 12.704,58 4.414,59 3.265,60 3.273,61 4.572,62 1.985,63 6.196,64 6741,65 50.564,66 14.729,67 33,68 2.095,69 4.9}
{0 CHEMBL595043,1 3.095,2 3.095,3 3.604,4 3.604,5 222.733,6 3.239,7 12.721,8 401,9 640.22,10 3.504,11 3.9,12 429.472,13 1.583,14 6.252,15 436.746,16 4.693,17 2.814,18 28.143,19 357.41,20 617.96,21 3.953,22 1.06,23 2.736,24 1.382,25 3.115,26 473.245,27 7.283,28 1.857,29 3.367,30 3.367,31 28,32 4.043,33 436,34 181.919,35 44.581,36 58,37 0.155,38 1.483,39 1.483,40 76.186,41 3.486,42 3.987,43 8.557,44 4.314,45 5.001,46 5.434,47 136.521,48 2.442,49 1.736,50 3.992,51 2.245,52 3.424,53 99.016,54 3.891,55 3.891,56 23516,57 13.345,58 4.775,59 3.339,60 3.344,61 4.368,62 2.061,63 9.989,64 7141,65 56.762,66 18.176,67 42,68 1.856,69 6.35}
{0 CHEMBL595151,1 2.854,2 2.854,3 3.289,4 3.289,5 230.231,6 3.155,7 12.558,8 418,9 674.39,10 3.6,11 3.671,12 445.735,13 1.522,14 6.161,15 459.38,16 4.846,17 2.252,18 30.243,19 375.44,20 642.39,21 3.771,22 1.305,23 2.982,24 1.025,25 3.049,26 484.905,27 8.067,28 1.964,29 3.434,30 3.434,31 30,32 4.111,33 452,34 198.438,35 46.578,36 61,37 0.119,38 1.674,39 1.674,40 82.411,41 3.527,42 3.903,43 9.247,44 4.287,45 4.973,46 5.468,47 137.671,48 2.616,49 1.729,50 4.055,51 2.377,52 3.393,53 67.405,54 3.767,55 3.767,56 31964,57 13.125,58 4.785,59 3.316,60 3.324,61 4.842,62 2.167,63 8.672,64 9971,65 58.019,66 18.12,67 43,68 2.403,69 5.2}
{0 CHEMBL595586,1 2.729,2 2.729,3 3.54,4 3.54,5 224.262,6 3.175,7 10.84,8 381,9 593.89,10 3.539,11 3.815,12 403.601,13 1.593,14 6.125,15 399.31,16 4.023,17 2.39,18 27.3,19 347.47,20 521.45,21 3.659,22 2,23 2.997,24 0.952,25 2.962,26 371.089,27 8.321,28 1.613,29 3.401,30 3.401,31 29,32 4.078,33 350,34 181.737,35 45.022,36 55.5,37 0.114,38 1.521,39 1.521,40 80.282,41 3.339,42 3.938,43 9.829,44 4.259,45 4.945,46 5.389,47 124.078,48 2.475,49 1.538,50 3.881,51 2.359,52 3.424,53 71.679,54 2.702,55 2.702,56 20159,57 13.02,58 4.474,59 3.427,60 3.418,61 4.645,62 1.953,63 9.14,64 8218,65 56.483,66 16.812,67 43,68 2.388,69 5.5}
{0 CHEMBL595587,1 2.745,2 2.745,3 3.54,4 3.54,5 251.56,6 3.234,7 12.072,8 401,9 624.9,10 3.627,11 3.907,12 424.093,13 1.654,14 6.219,15 419.31,16 4.466,17 2.655,18 29.3,19 373.51,20 546.43,21 3.695,22 2,23 3.247,24 0.927,25 3.164,26 387.348,27 8.871,28 1.94,29 3.497,30 3.497,31 32,32 4.174,33 366,34 201.737,35 49.313,36 59.5,37 0.121,38 1.557,39 1.557,40 86.388,41 3.488,42 3.986,43 10.523,44 4.327,45 5.014,46 5.501,47 139.169,48 2.516,49 1.665,50 3.934,51 2.601,52 3.595,53 71.679,54 3.942,55 3.942,56 24887,57 13.087,58 4.738,59 3.514,60 3.525,61 4.731,62 2.151,63 10.235,64 11162,65 61.274,66 17.461,67 45,68 2.663,69 5.96}
{0 CHEMBL595607,1 2.552,2 2.552,3 3.038,4 3.038,5 209.534,6 3.141,7 11.139,8 367,9 573.73,10 3.557,11 3.689,12 389.604,13 1.455,14 6.071,15 380.112,16 3.982,17 2.445,18 26.9,19 358.88,20 543.32,21 3.479,22 1.16,23 2.663,24 0.809,25 2.978,26 403.336,27 8.998,28 1.957,29 3.367,30 3.367,31 28,32 4.043,33 378,34 186.477,35 43.766,36 53.833,37 0.156,38 1.66,39 1.66,40 78.944,41 3.308,42 3.907,43 9.536,44 4.245,45 4.931,46 5.38,47 123.566,48 2.591,49 1.537,50 3.95,51 2.283,52 3.408,53 25.67,54 3.225,55 3.225,56 22198,57 12.964,58 4.79,59 3.313,60 3.318,61 4.853,62 2.106,63 9.679,64 7909,65 54.546,66 16.676,67 40,68 2.533,69 5.6}
{0 CHEMBL595608,1 2.854,2 2.854,3 3.289,4 3.289,5 230.231,6 3.155,7 12.558,8 404,9 651.61,10 3.593,11 3.68,12 430.275,13 1.522,14 6.161,15 442.915,16 4.818,17 2.252,18 30.143,19 374.45,20 619.99,21 3.784,22 1.305,23 2.982,24 1.025,25 3.049,26 467.676,27 8.507,28 1.964,29 3.434,30 3.434,31 30,32 4.111,33 436,34 196.439,35 46.578,36 60.5,37 0.119,38 1.674,39 1.674,40 81.957,41 3.519,42 3.886,43 9.247,44 4.287,45 4.973,46 5.468,47 137.671,48 2.617,49 1.828,50 4.048,51 2.377,52 3.396,53 61.115,54 3.767,55 3.767,56 30932,57 13.125,58 4.785,59 3.316,60 3.324,61 4.72,62 2.167,63 9.911,64 9971,65 58.019,66 18.182,67 43,68 2.513,69 5.2}
{0 CHEMBL595609,1 2.656,2 2.656,3 3.08,4 3.08,5 227.68,6 3.13,7 11.616,8 393,9 618.36,10 3.645,11 3.688,12 416.109,13 1.532,14 6.169,15 393.475,16 4.125,17 2.209,18 26.767,19 363.53,20 527.36,21 3.589,22 1.847,23 3,24 0.792,25 3.032,26 368.114,27 8.217,28 2.115,29 3.434,30 3.434,31 30,32 4.111,33 350,34 212.956,35 46.356,36 54.5,37 0.079,38 1.532,39 1.532,40 83.364,41 3.392,42 3.888,43 11.285,44 4.376,45 5.063,46 5.451,47 133.728,48 2.493,49 1.593,50 4.06,51 2.503,52 3.452,53 12.937,54 3.902,55 3.902,56 21886,57 13.098,58 4.774,59 3.341,60 3.339,61 4.73,62 2.298,63 9.507,64 9624,65 60.908,66 16.218,67 41,68 3.309,69 5.7}
{0 CHEMBL595759,1 2.503,2 2.503,3 3.038,4 3.038,5 196.451,6 3.128,7 10.6,8 360,9 562.73,10 3.528,11 3.596,12 383.316,13 1.394,14 6.019,15 368.708,16 3.717,17 2.221,18 25.586,19 342.87,20 516.19,21 3.424,22 1.092,23 2.511,24 0.782,25 2.841,26 375.883,27 7.98,28 1.629,29 3.332,30 3.332,31 27,32 4.007,33 354,34 179.368,35 41.74,36 51.333,37 0.103,38 1.444,39 1.444,40 76.522,41 3.265,42 3.701,43 9.536,44 4.201,45 4.887,46 5.333,47 116.803,48 2.386,49 1.318,50 3.906,51 2,52 3.392,53 31.887,54 2.966,55 2.966,56 19861,57 12.862,58 4.773,59 3.313,60 3.318,61 4.618,62 1.986,63 7.564,64 7268,65 52.683,66 15.67,67 37,68 2.304,69 5.9}
{0 CHEMBL595761,1 2.524,2 2.524,3 3.062,4 3.062,5 206.286,6 3.145,7 10.769,8 340,9 525.77,10 3.489,11 3.568,12 361.363,13 1.608,14 6.109,15 352.324,16 3.864,17 2.418,18 25.8,19 331.46,20 466.63,21 3.481,22 1.316,23 2.763,24 0.844,25 3.036,26 333.08,27 8.713,28 1.71,29 3.367,30 3.367,31 28,32 4.043,33 314,34 170.629,35 43.073,36 52.5,37 0.103,38 1.475,39 1.475,40 76.02,41 3.234,42 3.712,43 9.655,44 4.245,45 4.931,46 5.361,47 119.784,48 2.438,49 1.498,50 3.833,51 2.23,52 3.372,53 47.294,54 2.966,55 2.966,56 19694,57 12.943,58 4.775,59 3.316,60 3.324,61 4.725,62 1.994,63 9.477,64 8165,65 55.163,66 15.989,67 39,68 2.456,69 4.9}
{0 CHEMBL595966,1 2.773,2 2.773,3 3.572,4 3.572,5 249.009,6 3.232,7 12.12,8 405,9 632.11,10 3.605,11 3.926,12 430.26,13 1.741,14 6.217,15 424.014,16 4.326,17 2.634,18 29.9,19 375.53,20 548.29,21 3.712,22 2,23 3.01,24 1.174,25 3.201,26 388.664,27 10.213,28 2.001,29 3.466,30 3.466,31 31,32 4.143,33 366,34 196.07,35 48.954,36 59.5,37 0.197,38 1.61,39 1.61,40 84.917,41 3.427,42 4.054,43 10.394,44 4.341,45 5.027,46 5.476,47 136.763,48 2.563,49 1.738,50 3.97,51 2.428,52 3.435,53 59.098,54 4.131,55 4.131,56 22721,57 13.139,58 4.717,59 3.441,60 3.43,61 4.629,62 2.19,63 9.823,64 9892,65 60.156,66 18.714,67 47,68 2.577,69 6.19}
{0 CHEMBL595967,1 2.94,2 2.94,3 3.59,4 3.59,5 274.404,6 3.506,7 14.096,8 491,9 781.87,10 3.691,11 4.124,12 523.068,13 2.147,14 6.323,15 538.014,16 5.348,17 2.949,18 33.143,19 415.47,20 746.61,21 3.852,22 2,23 3.136,24 1.501,25 3.232,26 564.317,27 9.512,28 2.157,29 3.526,30 3.526,31 33,32 4.205,33 524,34 218.8,35 52.222,36 68,37 0.222,38 1.879,39 1.879,40 91.045,41 3.654,42 4.176,43 10.259,44 4.404,45 5.091,46 5.572,47 153.111,48 2.832,49 1.877,50 4.153,51 2.671,52 3.524,53 103.978,54 4.568,55 4.568,56 40119,57 13.283,58 5.284,59 3.381,60 3.394,61 4.519,62 2.481,63 9.64,64 11814,65 63.968,66 20.442,67 49,68 2.505,69 6.35}
{0 CHEMBL595991,1 2.783,2 2.783,3 3.13,4 3.13,5 233.976,6 3.203,7 12.713,8 442,9 713.24,10 3.641,11 4.003,12 470.472,13 1.532,14 6.161,15 475.68,16 4.989,17 2.695,18 30.029,19 395.85,20 699.34,21 3.663,22 1.25,23 3,24 1.212,25 3.032,26 536.706,27 9.895,28 1.987,29 3.434,30 3.434,31 30,32 4.111,33 498,34 206.53,35 46.191,36 61.333,37 0.14,38 1.532,39 1.532,40 85.225,41 3.366,42 4.074,43 9.285,44 4.287,45 4.973,46 5.468,47 136.575,48 2.495,49 1.685,50 4.123,51 2.446,52 3.538,53 73.244,54 4.312,55 4.312,56 33152,57 13.099,58 4.894,59 3.265,60 3.273,61 4.806,62 2.298,63 8.697,64 9437,65 57.619,66 18.392,67 42,68 2.496,69 4.9}
{0 CHEMBL596270,1 2.524,2 2.524,3 3.037,4 3.037,5 198.124,6 3.075,7 10.505,8 333,9 520.13,10 3.471,11 3.601,12 352.954,13 1.404,14 6.019,15 353.249,16 3.807,17 2.189,18 25.814,19 324.44,20 471.95,21 3.458,22 1.077,23 2.507,24 0.698,25 2.86,26 341.179,27 8.592,28 1.956,29 3.332,30 3.332,31 27,32 4.007,33 322,34 169.719,35 41.92,36 51.5,37 0.131,38 1.414,39 1.414,40 73.406,41 3.137,42 3.74,43 8.836,44 4.201,45 4.887,46 5.333,47 117.216,48 2.382,49 1.566,50 3.833,51 2,52 3.36,53 22.17,54 2.974,55 2.974,56 17193,57 12.896,58 4.759,59 3.311,60 3.317,61 4.72,62 2.014,63 9.279,64 7108,65 52.681,66 15.462,67 38,68 2.408,69 5.2}
{0 CHEMBL596271,1 2.503,2 2.503,3 3.038,4 3.038,5 196.451,6 3.128,7 10.6,8 332,9 516.25,10 3.513,11 3.594,12 351.966,13 1.394,14 6.019,15 335.778,16 3.725,17 2.221,18 25.386,19 340.89,20 471.31,21 3.436,22 1.092,23 2.511,24 0.782,25 2.841,26 341.258,27 8.934,28 1.629,29 3.332,30 3.332,31 27,32 4.007,33 322,34 174.722,35 41.74,36 50.333,37 0.103,38 1.444,39 1.444,40 75.614,41 3.242,42 3.706,43 9.536,44 4.201,45 4.887,46 5.333,47 116.803,48 2.4,49 1.402,50 3.891,51 2,52 3.399,53 16.549,54 2.966,55 2.966,56 18089,57 12.862,58 4.773,59 3.313,60 3.318,61 4.675,62 1.986,63 9.574,64 7268,65 52.683,66 15.793,67 37,68 2.527,69 4.8}
{0 CHEMBL596527,1 2.61,2 2.61,3 3.043,4 3.043,5 229.497,6 3.13,7 11.529,8 379,9 590.27,10 3.641,11 3.751,12 401.074,13 1.524,14 6.169,15 375.122,16 4.154,17 2.204,18 26.667,19 362.54,20 504.46,21 3.56,22 1.959,23 3.106,24 0.685,25 3.046,26 352.208,27 10.388,28 2.02,29 3.434,30 3.434,31 30,32 4.111,33 334,34 208.119,35 46.605,36 54,37 0.123,38 1.548,39 1.548,40 83.395,41 3.304,42 3.922,43 11.203,44 4.376,45 5.063,46 5.451,47 134.295,48 2.514,49 1.694,50 4.009,51 2.407,52 3.434,53 12.497,54 3.515,55 3.515,56 20910,57 13.129,58 4.779,59 3.348,60 3.352,61 4.861,62 2.318,63 11.354,64 9424,65 60.996,66 16.254,67 42,68 3.641,69 5.6}
{0 CHEMBL60164,1 2.714,2 2.714,3 3.042,4 3.042,5 160.677,6 2.882,7 9.67,8 323,9 507.23,10 3.406,11 3.782,12 347.475,13 1.331,14 5.87,15 325.369,16 3.581,17 2.623,18 24.138,19 333.19,20 543.81,21 3.675,22 0.432,23 2,24 0.785,25 2.673,26 438.229,27 7.255,28 0.915,29 3.135,30 3.135,31 22,32 3.807,33 398,34 165.808,35 36.626,36 47.667,38 1.304,39 1.304,40 67.941,41 3.412,42 4.047,43 8.359,44 3.882,45 4.564,46 5.176,47 104.768,48 2.291,49 0.942,50 3.872,51 1.642,52 3.383,53 13.311,54 2.199,55 2.199,56 15744,57 12.872,58 4.438,59 3.008,60 3.012,61 4.615,62 1.619,63 7.216,64 3433,65 40.653,66 16.359,67 34,68 1.931,69 4.377}
{0 CHEMBL603443,1 2.766,2 2.766,3 3.04,4 3.04,5 235.44,6 3.163,7 12.501,8 405,9 654.95,10 3.593,11 3.918,12 431.067,13 1.404,14 6.161,15 443.915,16 4.879,17 2.256,18 30.143,19 374.45,20 620.57,21 3.66,22 1.304,23 2.963,24 1.108,25 3.058,26 467.522,27 10.592,28 1.963,29 3.434,30 3.434,31 30,32 4.111,33 436,34 197.606,35 46.771,36 60.5,37 0.207,38 1.667,39 1.667,40 82.058,41 3.299,42 4.019,43 9.303,44 4.287,45 4.973,46 5.468,47 138.144,48 2.615,49 1.954,50 4.048,51 2.394,52 3.367,53 61.115,54 2.99,55 2.99,56 28020,57 13.156,58 4.838,59 3.311,60 3.317,61 4.762,62 2.216,63 10.751,64 9331,65 58.009,66 18.182,67 44,68 2.626,69 4.8}
{0 CHEMBL604467,1 2.766,2 2.766,3 3.04,4 3.04,5 235.44,6 3.163,7 12.501,8 389,9 628.63,10 3.582,11 3.925,12 413.893,13 1.405,14 6.161,15 425.099,16 4.898,17 2.242,18 30.043,19 373.46,20 597.25,21 3.701,22 1.304,23 2.963,24 1.108,25 3.058,26 450.931,27 10.977,28 1.963,29 3.434,30 3.434,31 30,32 4.111,33 420,34 194.553,35 46.771,36 60,37 0.207,38 1.667,39 1.667,40 81.483,41 3.295,42 4.005,43 9.303,44 4.287,45 4.973,46 5.468,47 138.144,48 2.617,49 2.034,50 4.04,51 2.394,52 3.373,53 58.419,54 2.99,55 2.99,56 27172,57 13.156,58 4.838,59 3.332,60 3.335,61 4.727,62 2.216,63 11.779,64 9331,65 58.009,66 18.219,67 44,68 2.965,69 5.2}
{0 CHEMBL604469,1 2.786,2 2.786,3 3.307,4 3.307,5 272.013,6 3.414,7 13.937,8 491,9 794.06,10 3.745,11 4.159,12 525.866,13 1.931,14 6.263,15 530.141,16 5.413,17 2.795,18 34.095,19 439.91,20 775.79,21 3.667,22 1.593,23 3.039,24 1.639,25 3.178,26 593.355,27 11.767,28 2.264,29 3.526,30 3.526,31 33,32 4.205,33 552,34 231.187,35 52.229,36 68.333,37 0.247,38 1.858,39 1.858,40 94.711,41 3.551,42 4.226,43 10.667,44 4.379,45 5.066,46 5.572,47 153.496,48 2.789,49 1.963,50 4.216,51 2.827,52 3.542,53 74.601,54 4.94,55 4.94,56 42723,57 13.27,58 5.131,59 3.326,60 3.344,61 4.961,62 2.449,63 11.198,64 12146,65 62.767,66 21.228,67 50,68 2.811,69 6.6}
{0 CHEMBL604472,1 2.503,2 2.503,3 3.057,4 3.057,5 208.3,6 3.137,7 10.813,8 367,9 573.64,10 3.561,11 3.705,12 388.697,13 1.396,14 6.035,15 376.06,16 3.86,17 2.249,18 26.886,19 356.9,20 523.33,21 3.425,22 1.256,23 2.647,24 0.809,25 2.841,26 379.437,27 9.378,28 1.634,29 3.367,30 3.367,31 28,32 4.043,33 358,34 184.535,35 43.166,36 53.333,37 0.103,38 1.445,39 1.445,40 79.666,41 3.338,42 3.802,43 9.744,44 4.216,45 4.902,46 5.361,47 119.595,48 2.386,49 1.411,50 3.936,51 2.253,52 3.417,53 31.887,54 2.971,55 2.971,56 20970,57 12.882,58 4.81,59 3.372,60 3.369,61 4.725,62 1.987,63 8.42,64 7903,65 53.697,66 16.615,67 39,68 2.447,69 6.8}
{0 CHEMBL604993,1 2.841,2 2.841,3 3.211,4 3.211,5 232.39,6 3.157,7 12.569,8 388,9 626.02,10 3.582,11 3.804,12 413.344,13 1.431,14 6.161,15 424.099,16 4.865,17 2.241,18 30.043,19 373.46,20 596.73,21 3.813,22 1.292,23 2.961,24 1.191,25 3.052,26 451.199,27 10.176,28 1.964,29 3.434,30 3.434,31 30,32 4.111,33 420,34 193.553,35 46.575,36 60,37 0.144,38 1.672,39 1.672,40 81.382,41 3.374,42 3.902,43 9.163,44 4.287,45 4.973,46 5.468,47 137.782,48 2.618,49 1.914,50 4.04,51 2.489,52 3.395,53 58.419,54 3.568,55 3.568,56 28576,57 13.127,58 4.792,59 3.336,60 3.34,61 4.834,62 2.187,63 10.813,64 9651,65 58.06,66 18.219,67 43,68 2.885,69 5.6}
{0 CHEMBL605831,1 2.656,2 2.656,3 3.08,4 3.08,5 227.68,6 3.13,7 11.616,8 377,9 590.48,10 3.634,11 3.68,12 398.139,13 1.532,14 6.169,15 374.658,16 4.156,17 2.213,18 26.667,19 362.54,20 503.88,21 3.617,22 1.847,23 3,24 0.792,25 3.032,26 351.223,27 9.086,28 2.115,29 3.434,30 3.434,31 30,32 4.111,33 334,34 210.07,35 46.356,36 54,37 0.079,38 1.532,39 1.532,40 82.789,41 3.388,42 3.884,43 11.285,44 4.376,45 5.063,46 5.451,47 133.728,48 2.5,49 1.66,50 4.047,51 2.503,52 3.455,53 9.312,54 3.902,55 3.902,56 21118,57 13.098,58 4.774,59 3.363,60 3.359,61 4.778,62 2.298,63 10.316,64 9624,65 60.908,66 16.254,67 41,68 3.725,69 5.5}
{0 CHEMBL605836,1 2.962,2 2.962,3 3.404,4 3.404,5 244.663,6 3.179,7 13.097,8 453,9 732.38,10 3.675,11 4.092,12 483.573,13 1.771,14 6.207,15 487.243,16 5.09,17 2.522,18 31.329,19 409.88,20 714.44,21 3.857,22 1.359,23 3.015,24 1.053,25 3.069,26 547.066,27 8.592,28 2.011,29 3.466,30 3.466,31 31,32 4.143,33 508,34 219.131,35 48.747,36 63.333,37 0.172,38 1.675,39 1.675,40 88.05,41 3.621,42 4.111,43 9.955,44 4.327,45 5.014,46 5.509,47 144.403,48 2.619,49 1.708,50 4.15,51 2.55,52 3.512,53 70.906,54 4.299,55 4.299,56 36845,57 13.204,58 5.042,59 3.316,60 3.324,61 4.842,62 2.189,63 9.904,64 10660,65 59.851,66 19.347,67 46,68 2.643,69 5.7}
{0 CHEMBL605921,1 2.787,2 2.787,3 3.516,4 3.516,5 257.294,6 3.511,7 13.264,8 481,9 760.22,10 3.627,11 4.021,12 510.258,13 1.592,14 6.325,15 524.019,16 5.194,17 2.807,18 29.81,19 393.39,20 731.57,21 3.717,22 2.221,23 3.137,24 1.153,25 3.153,26 554.001,27 7.463,28 2.03,29 3.497,30 3.497,31 32,32 4.174,33 514,34 201.906,35 49.089,36 65,37 0.128,38 1.548,39 1.548,40 88.068,41 3.523,42 4.033,43 9.844,44 4.457,45 5.145,46 5.517,47 142.079,48 2.513,49 1.517,50 4.069,51 2.786,52 3.552,53 117.317,54 3.979,55 3.979,56 40341,57 13.263,58 5.04,59 3.404,60 3.419,61 4.693,62 2.274,63 8.126,64 11259,65 65.714,66 18.9,67 45,68 2.057,69 6.73}
{0 CHEMBL606153,1 2.875,2 2.875,3 3.452,4 3.452,5 249.101,6 3.196,7 12.816,8 429,9 683.1,10 3.607,11 4.003,12 454.829,13 1.583,14 6.246,15 467.563,16 5.073,17 2.801,18 30.243,19 384.44,20 656.5,21 3.808,22 2,23 3.135,24 1.278,25 3.103,26 497.9,27 8.487,28 1.895,29 3.466,30 3.466,31 31,32 4.143,33 462,34 197.75,35 48.07,36 62.5,37 0.139,38 1.539,39 1.539,40 84.928,41 3.551,42 4.047,43 9.694,44 4.341,45 5.027,46 5.493,47 140.427,48 2.508,49 1.769,50 4.056,51 2.521,52 3.528,53 101.711,54 3.928,55 3.928,56 30529,57 13.218,58 4.715,59 3.398,60 3.41,61 4.773,62 2.043,63 10.444,64 9916,65 60.469,66 18.689,67 45,68 2.619,69 6.63}
{0 CHEMBL607195,1 2.785,2 2.785,3 3.454,4 3.454,5 329.651,6 3.543,7 15.679,8 528,9 847.84,10 3.846,11 4.331,12 561.156,13 1.955,14 6.394,15 562.947,16 6.107,17 2.721,18 36.729,19 485.98,20 812.07,21 3.664,22 2.475,23 3.472,24 1.581,25 3.304,26 613.997,27 14.506,28 2.322,29 3.664,30 3.664,31 38,32 4.344,33 572,34 254.029,35 58.286,36 75.333,37 0.256,38 2.036,39 2.036,40 106.254,41 3.865,42 4.321,43 11.974,44 4.535,45 5.223,46 5.694,47 170.663,48 2.958,49 2.298,50 4.303,51 3.247,52 3.678,53 61.543,54 5.087,55 5.087,56 55249,57 13.326,58 5.209,59 3.563,60 3.57,61 4.971,62 2.508,63 12.588,64 17375,65 73.947,66 23.01,67 55,68 3.38,69 6.9}
{0 CHEMBL607311,1 2.785,2 2.785,3 3.13,4 3.13,5 272.645,6 3.32,7 13.728,8 466,9 753.61,10 3.733,11 4.205,12 495.029,13 1.838,14 6.234,15 500.947,16 5.418,17 2.702,18 33.929,19 437.94,20 728.38,21 3.664,22 1.919,23 3.016,24 1.494,25 3.132,26 554.83,27 13.509,28 1.989,29 3.526,30 3.526,31 33,32 4.205,33 516,34 225.862,35 51.396,36 67.333,37 0.223,38 1.745,39 1.745,40 94.148,41 3.563,42 4.241,43 10.266,44 4.353,45 5.04,46 5.557,47 149.861,48 2.684,49 2.043,50 4.201,51 2.879,52 3.539,53 58.358,54 4.617,55 4.617,56 38079,57 13.225,58 5.048,59 3.447,60 3.434,61 5.02,62 2.322,63 11.56,64 11850,65 62.201,66 21.265,67 49,68 3.034,69 5.6}
{0 CHEMBL607313,1 2.786,2 2.786,3 3.271,4 3.271,5 260.884,6 3.395,7 13.768,8 489,9 789.83,10 3.713,11 4.123,12 521.839,13 1.927,14 6.25,15 532.928,16 5.389,17 2.819,18 32.843,19 427.87,20 786.79,21 3.666,22 1.316,23 3.039,24 1.577,25 3.158,26 609.146,27 11.285,28 2.256,29 3.497,30 3.497,31 32,32 4.174,33 564,34 226.439,35 50.85,36 66.833,37 0.239,38 1.813,39 1.813,40 91.233,41 3.504,42 4.195,43 9.908,44 4.366,45 5.053,46 5.549,47 150.539,48 2.745,49 1.906,50 4.203,51 2.485,52 3.541,53 67.479,54 4.862,55 4.862,56 42606,57 13.259,58 5.056,59 3.311,60 3.326,61 4.884,62 2.442,63 10.082,64 11067,65 61.558,66 20.243,67 48,68 2.716,69 6.7}
{0 CHEMBL607518,1 2.729,2 2.729,3 3.54,4 3.54,5 224.262,6 3.175,7 10.84,8 353,9 548.49,10 3.524,11 3.813,12 372.855,13 1.593,14 6.125,15 366.38,16 4.032,17 2.39,18 27.1,19 345.49,20 476.65,21 3.677,22 2,23 2.997,24 0.952,25 2.962,26 336.727,27 9.275,28 1.613,29 3.401,30 3.401,31 29,32 4.078,33 318,34 178.073,35 45.022,36 54.5,37 0.114,38 1.521,39 1.521,40 79.374,41 3.315,42 3.932,43 9.829,44 4.259,45 4.945,46 5.389,47 124.078,48 2.481,49 1.607,50 3.864,51 2.359,52 3.426,53 56.341,54 2.702,55 2.702,56 18087,57 13.02,58 4.474,59 3.435,60 3.423,61 4.563,62 1.953,63 11.081,64 8218,65 56.483,66 16.935,67 43,68 2.563,69 6.01}
{0 CHEMBL607689,1 2.524,2 2.524,3 3.037,4 3.037,5 198.124,6 3.075,7 10.505,8 317,9 493.75,10 3.458,11 3.601,12 335.779,13 1.405,14 6.019,15 334.432,16 3.84,17 2.189,18 25.714,19 323.45,20 448.63,21 3.461,22 1.077,23 2.507,24 0.698,25 2.86,26 324.587,27 8.978,28 1.956,29 3.332,30 3.332,31 27,32 4.007,33 306,34 166.569,35 41.92,36 51,37 0.131,38 1.414,39 1.414,40 72.831,41 3.131,42 3.741,43 8.836,44 4.201,45 4.887,46 5.333,47 117.216,48 2.382,49 1.668,50 3.823,51 2,52 3.366,53 19.474,54 2.974,55 2.974,56 16495,57 12.896,58 4.759,59 3.332,60 3.335,61 4.768,62 2.014,63 10.023,64 7108,65 52.681,66 15.499,67 38,68 2.717,69 5.4}
{0 CHEMBL608103,1 2.51,2 2.51,3 3.037,4 3.037,5 197.117,6 3.123,7 10.612,8 316,9 490.69,10 3.501,11 3.669,12 335.037,13 1.395,14 6.019,15 316.961,16 3.759,17 2.219,18 25.286,19 339.9,20 448.05,21 3.443,22 0.956,23 2.498,24 0.782,25 2.842,26 324.781,27 9.658,28 1.823,29 3.332,30 3.332,31 27,32 4.007,33 306,34 171.835,35 41.737,36 49.833,37 0.094,38 1.437,39 1.437,40 75.039,41 3.179,42 3.767,43 9.426,44 4.201,45 4.887,46 5.333,47 116.878,48 2.402,49 1.478,50 3.881,51 2,52 3.398,53 13.854,54 2.966,55 2.966,56 16927,57 12.864,58 4.77,59 3.333,60 3.336,61 4.839,62 1.988,63 10.592,64 7188,65 52.721,66 15.829,67 37,68 2.872,69 5.4}
{0 CHEMBL608979,1 2.472,2 2.472,3 3.036,4 3.036,5 185.621,6 3.058,7 9.978,8 296,9 458.65,10 3.418,11 3.498,12 313.319,13 1.182,14 5.964,15 306.563,16 3.59,17 1.862,18 24.3,19 306.45,20 398.96,21 3.41,22 0.881,23 2.406,24 0.671,25 2.824,26 279.624,27 8.463,28 1.5,29 3.296,30 3.296,31 26,32 3.97,33 266,34 156.908,35 39.666,36 48,37 0.078,38 1.364,39 1.364,40 69.955,41 3.066,42 3.622,43 8.836,44 4.155,45 4.84,46 5.283,47 110.524,48 2.353,49 1.444,50 3.763,51 2,52 3.365,53 18.972,54 2.697,55 2.697,56 13500,57 12.789,58 4.434,59 3.331,60 3.334,61 4.792,62 1.963,63 8.94,64 6479,65 50.886,66 14.559,67 35,68 2.58,69 4.8}
{0 CHEMBL612133,1 2.61,2 2.61,3 2.884,4 2.884,5 225.373,6 3.232,7 11.427,8 368,9 572.52,10 3.551,11 3.884,12 392.391,13 2.019,14 6.092,15 387.481,16 4.152,17 2.621,18 29.867,19 366.52,20 521.53,21 3.55,22 1.243,23 2.653,24 1.125,25 2.987,26 381.097,27 9.879,28 1.56,29 3.401,30 3.401,31 29,32 4.078,33 356,34 177.703,35 45.184,36 58,37 0.19,38 1.553,39 1.553,40 81.643,41 3.389,42 3.997,43 9.543,44 4.119,45 4.804,46 5.389,47 122.198,48 2.533,49 1.606,50 3.896,51 2.334,52 3.439,53 46.007,54 3.406,55 3.406,56 20599,57 12.88,58 4.618,59 3.449,60 3.441,61 4.591,62 1.963,63 9.94,64 8547,65 51.901,66 19.387,67 44,68 2.32,69 6.2}
{0 CHEMBL61281,1 2.756,2 2.756,3 3.127,4 3.127,5 186.583,6 3.085,7 10.604,8 317,9 494.92,10 3.388,11 3.639,12 339.919,13 1.45,14 6.019,15 333.643,16 3.916,17 2.557,18 25.367,19 314.37,20 478.79,21 3.725,22 0.705,23 2.388,24 0.806,25 2.891,26 366.819,27 7.345,28 1.623,29 3.258,30 3.258,31 25,32 3.932,33 336,34 159.387,35 40.092,36 51,37 0.074,38 1.412,39 1.412,40 68.46,41 3.301,42 3.753,43 8.571,44 4.103,45 4.787,46 5.293,47 115.996,48 2.412,49 1.301,50 3.805,51 2,52 3.36,53 11.456,54 2.992,55 2.992,56 16397,57 12.987,58 4.432,59 3.128,60 3.183,61 4.851,62 2.036,63 8.218,64 5194,65 48.502,66 15.779,67 37,68 2.201,69 4.301}
{0 CHEMBL66654,1 1.972,2 1.972,3 2.739,4 2.739,5 89.342,6 2.598,7 6.219,8 194,9 291.01,10 2.905,11 2.612,12 206.311,13 0.059,14 5.585,15 196.817,16 2.161,17 1.27,18 14.2,19 193.26,20 264.33,21 2.956,22 -0.186,23 1.053,24 0.181,25 2.5,26 189.22,27 2.3,28 -0.464,29 2.833,30 2.833,31 16,32 3.497,33 178,34 80.832,35 23.039,36 30.5,38 0.603,39 0.603,40 44.468,41 2.176,42 2.708,43 4.753,44 3.761,45 4.443,46 4.727,47 57.96,48 1.592,49 0.457,50 3.148,51 0.439,52 2.909,53 8.699,54 -0.822,55 -0.822,56 4266,57 12.217,58 3.247,59 2.956,60 2.935,61 3.979,62 1.128,63 2.752,64 1796,65 33.239,66 9.489,67 17,68 0.772,69 4}
{0 CHEMBL76232,1 1.211,2 1.211,3 1.414,4 1.414,5 40.311,6 0.433,7 4.192,8 127,9 190.22,10 2.513,11 2.353,12 137.476,13 -0.815,14 4.787,15 140.967,16 1.469,17 0.467,18 13.167,19 147.15,20 236.6,21 2.21,24 0.222,26 202.056,27 0.429,28 -1.749,29 2.303,30 2.303,31 9,32 2.944,33 180,34 47.09,35 13.245,36 24.5,38 -1,39 -1,40 29.818,41 0.007,42 2.378,43 2.337,44 2.773,45 3.434,46 4.143,47 31.71,48 -0.095,49 0.207,50 2.804,52 2.481,54 -3.972,55 -3.972,56 2409,57 11.196,58 1.288,59 2.259,60 2.305,61 3.827,62 -1.414,63 1.042,64 373,65 14.869,66 9.234,67 9,68 0.195,69 4.9}
{0 CHEMBL86508,1 2.122,2 2.122,3 2.917,4 2.917,5 101.734,6 2.469,7 7.891,8 258,9 404.78,10 3.326,11 2.956,12 279.414,13 -0.35,14 5.705,15 245.149,16 3.102,17 1.366,18 18.833,19 245.19,20 398.45,21 3.122,22 -0.415,23 2,24 0.597,25 0.912,26 316.595,27 3.702,28 -1,29 2.833,30 2.833,31 16,32 3.497,33 282,34 143.277,35 26.432,36 37.167,38 -0.486,39 -0.486,40 53.876,41 2.645,42 3.367,43 6.249,44 3.701,45 4.382,46 4.89,47 80.72,48 0.511,49 0.717,50 3.585,51 1,52 2.851,53 3.542,54 -2,55 -2,56 7477,57 13,58 3.414,59 2.735,60 2.715,61 4.138,62 -0.616,63 5.369,64 1514,65 31.834,66 13.041,67 25,68 0.991,69 4.959}
{0 CHEMBL8759,1 1.884,2 1.884,3 2.303,4 2.303,5 83.491,6 1,7 6.21,8 185,9 293.22,10 2.862,11 2.662,12 197.975,13 0.091,14 5.476,15 199.178,16 2.399,17 1.213,18 15.867,19 185.2,20 297.7,21 2.891,22 -0.878,23 1,24 0.347,25 0.668,26 237.673,27 0.966,28 -1.224,29 2.708,30 2.708,31 14,32 3.367,33 214,34 102.918,35 24.585,36 30.5,38 -0.376,39 -0.376,40 38.451,41 0.007,42 3.056,43 4.904,44 3.332,45 4.007,46 4.796,47 74.856,48 0.6,49 0.508,50 3.264,52 2.717,54 -2,55 -2,56 3634,57 12.801,58 3.227,59 2.568,60 2.614,61 4.252,62 -0.379,63 2.489,64 858,65 24.153,66 8.815,67 19,68 1.473,69 7.886}
{0 CHEMBL88184,1 1.798,2 1.798,3 2.286,4 2.286,5 61.925,6 0.803,7 5.241,8 197,9 298.48,10 2.771,11 2.669,12 212.077,13 -0.465,14 5.187,15 219.354,16 1.831,17 0.792,18 14.667,19 172.16,20 313.98,21 2.745,24 0.302,25 0.442,26 249.315,27 0.89,28 -1.27,29 2.565,30 2.565,31 12,32 3.219,33 226,34 72.689,35 18.61,36 29,38 -0.842,39 -0.842,40 36.936,41 0.3,42 2.664,43 3.647,44 3.305,45 3.98,46 4.489,47 47.881,48 0.051,49 0.272,50 3.096,52 2.555,53 9.734,54 -2.006,55 -2.006,56 3885,57 11.816,58 2.315,59 2.28,60 2.333,61 4.122,62 -0.977,63 1.326,64 741,65 22.491,66 9.027,67 12,68 0.336,69 3}
{0 CHEMBL8839,1 1.884,2 1.884,3 2.303,4 2.303,5 83.491,6 1,7 6.21,8 205,9 329.3,10 3.029,11 2.616,12 220.414,13 0.434,14 5.476,15 210.893,16 2.398,17 2.682,18 15.533,19 203.24,20 339.14,21 2.858,22 -0.878,23 1,24 0.347,25 0.668,26 271.063,27 1.078,28 -1.224,29 2.708,30 2.708,31 14,32 3.367,33 246,34 126.58,35 24.585,36 30.5,38 -0.376,39 -0.376,40 42.992,41 0.007,42 3.397,43 5.675,44 3.332,45 4.007,46 4.796,47 74.856,48 0.534,49 0.522,50 3.442,52 2.796,54 -2,55 -2,56 4218,57 12.801,58 3.227,59 2.555,60 2.576,61 4.187,62 -0.379,63 2.892,64 858,65 24.153,66 9.152,67 19,68 2.279,69 7.282}
{0 CHEMBL88553,1 2.093,2 2.093,3 2.78,4 2.78,5 99.869,6 2.5,7 6.737,8 238,9 360.88,10 3.011,11 2.829,12 254.005,13 0.431,14 5.574,15 250.309,16 2.358,17 1.494,18 16.467,19 213.26,20 334.24,21 3.057,22 -0.144,23 1.173,24 0.292,25 2.318,26 245.183,27 2.085,28 0.129,29 2.89,30 2.89,31 17,32 3.555,33 228,34 95.043,35 24.905,36 34.5,38 0.65,39 0.65,40 48.418,41 2.346,42 2.963,43 5.295,44 3.784,45 4.466,46 4.812,47 64.647,48 1.627,49 0.569,50 3.292,51 0.683,52 2.964,53 5.513,54 0.226,55 0.226,56 5790,57 12.203,58 3.247,59 2.854,60 2.872,61 4.18,62 1.03,63 2.134,64 2041,65 34.226,66 10.465,67 20,68 0.772,69 4}
{0 CHEMBL88612,1 1.972,2 1.972,3 2.644,4 2.644,5 89.342,6 2.5,7 6.219,8 179,9 268.01,10 2.914,11 2.658,12 190.065,13 -0.131,14 5.487,15 181.817,16 2.171,17 1.225,18 14.8,19 195.28,20 243.61,21 2.956,22 -0.191,23 1.053,24 0.181,25 2.306,26 173.883,27 3.459,28 -0.464,29 2.833,30 2.833,31 16,32 3.497,33 164,34 80.832,35 23.039,36 30.5,38 0.603,39 0.603,40 44.468,41 2.176,42 2.754,43 4.753,44 3.714,45 4.394,46 4.727,47 57.96,48 1.592,49 0.585,50 3.162,51 0.439,52 2.916,53 8.699,54 -0.822,55 -0.822,56 4011,57 11.981,58 3.247,59 2.968,60 2.945,61 4.138,62 0.981,63 4.082,64 1796,65 32.416,66 9.664,67 17,68 0.876,69 4}
{0 CHEMBL88804,1 1.38,2 1.38,3 1.561,4 1.561,5 46.205,6 0.445,7 4.546,8 131,9 195.96,10 2.603,11 2.328,12 141.637,13 -0.78,14 4.844,15 144.967,16 1.608,17 0.595,18 14.467,19 161.18,20 242.36,21 2.383,24 0.222,25 0.382,26 206.218,27 0.984,28 -1.484,29 2.398,30 2.398,31 10,32 3.045,33 184,34 51.09,35 14.655,36 26.5,38 -1,39 -1,40 32.818,41 0.38,42 2.497,43 2.579,44 2.833,45 3.497,46 4.234,47 34.283,48 -0.003,49 0.284,50 2.882,52 2.634,54 -3.051,55 -3.051,56 3032,57 11.211,58 1.428,59 2.357,60 2.422,61 4.005,62 -1.283,63 1.637,64 534,65 16.173,66 10.234,67 10,68 0.285,69 4.456}
{0 CHEMBL88999,1 1.884,2 1.884,3 2.303,4 2.303,5 83.491,6 1,7 6.21,8 205,9 329.3,10 3.029,11 2.616,12 220.414,13 0.434,14 5.476,15 210.893,16 2.398,17 2.682,18 15.533,19 203.24,20 339.14,21 2.858,22 -0.878,23 1,24 0.347,25 0.668,26 271.063,27 1.078,28 -1.224,29 2.708,30 2.708,31 14,32 3.367,33 246,34 126.58,35 24.585,36 30.5,38 -0.376,39 -0.376,40 42.992,41 0.007,42 3.397,43 5.675,44 3.332,45 4.007,46 4.796,47 74.856,48 0.534,49 0.522,50 3.442,52 2.796,54 -2,55 -2,56 4218,57 12.801,58 3.227,59 2.555,60 2.576,61 4.187,62 -0.379,63 2.892,64 858,65 24.153,66 9.152,67 19,68 2.279,69 8.409}
{0 CHEMBL89000,1 1.884,2 1.884,3 2.303,4 2.303,5 83.491,6 1,7 6.21,8 205,9 329.3,10 2.89,11 2.599,12 220.414,13 0.221,14 5.476,15 223.724,16 2.424,17 1.811,18 16.033,19 187.17,20 339.14,21 2.868,22 -0.878,23 1,24 0.347,25 0.668,26 271.063,27 0.735,28 -1.224,29 2.708,30 2.708,31 14,32 3.367,33 246,34 107.625,35 24.585,36 31.5,38 -0.376,39 -0.376,40 39.359,41 0.007,42 3.114,43 4.904,44 3.332,45 4.007,46 4.796,47 74.856,48 0.556,49 0.385,50 3.292,52 2.698,54 -2,55 -2,56 4218,57 12.801,58 3.227,59 2.524,60 2.562,61 4.187,62 -0.379,63 1.846,64 858,65 24.153,66 8.778,67 19,68 1.008,69 8.569}
{0 CHEMBL89293,1 2.765,2 2.765,3 3.711,4 3.711,5 343.076,6 3.238,7 14.742,8 539,9 858.9,10 3.919,11 4.625,12 579.165,13 2.621,14 6.359,15 532.851,16 5.332,17 3.027,18 36.438,19 518.5,20 814.31,21 3.731,22 1.957,23 3.618,24 1.907,25 3.232,26 610.569,27 15.906,28 2.305,29 3.638,30 3.638,31 37,32 4.317,33 570,34 280.547,35 59.358,36 73.167,37 0.165,38 1.931,39 1.931,40 112.86,41 4.446,42 4.766,43 13.85,44 4.454,45 5.142,46 5.659,47 165.374,48 2.859,49 1.779,50 4.342,51 2.864,52 3.633,53 66.835,54 5.104,55 5.104,56 41662,57 13.299,58 5.078,59 3.44,60 3.413,61 5.141,62 2.358,63 14.264,64 13348,65 69.398,66 25.141,67 60,68 3.908,69 6}
{0 CHEMBL90501,1 1.878,2 1.878,3 2.265,4 2.265,5 84.248,6 1.425,7 6.288,8 184,9 290.97,10 2.862,11 2.486,12 197.368,13 0.292,14 5.451,15 198.178,16 2.403,17 1.349,18 15.867,19 185.2,20 297.2,21 2.885,22 -0.885,23 1,24 0.222,25 0.495,26 237.857,27 0.84,28 -1.267,29 2.708,30 2.708,31 14,32 3.367,33 214,34 101.918,35 24.619,36 30.5,38 -0.602,39 -0.602,40 38.35,41 0.007,42 3.129,43 5.203,44 3.332,45 4.007,46 4.86,47 76.332,48 0.365,49 0.511,50 3.302,52 2.645,54 -2,55 -2,56 3599,57 12.692,58 3.32,59 2.538,60 2.527,61 4.252,62 -0.604,63 2.316,64 843,65 24.637,66 8.815,67 19,68 1.509,69 6.481}
{0 CHEMBL90675,1 2.532,2 2.532,3 3.567,4 3.567,5 241.035,6 3.222,7 12.059,8 379,9 591.31,10 3.556,11 3.935,12 400.526,13 1.605,14 6.152,15 400.24,16 4.64,17 2.678,18 29.433,19 367.43,20 558.62,21 3.517,22 1.265,23 2.939,24 0.709,25 2.969,26 419.789,27 11.795,28 1.966,29 3.434,30 3.434,31 30,32 4.111,33 388,34 193.572,35 47.743,36 59.5,37 0.173,38 1.528,39 1.528,40 81.331,41 3.789,42 3.968,43 10.003,44 4.22,45 4.905,46 5.468,47 137.359,48 2.506,49 1.48,50 3.916,51 2.724,52 3.424,53 27.858,54 3.329,55 3.329,56 25213,57 13.076,58 4.968,59 3.328,60 3.326,61 4.918,62 2.167,63 12.271,64 8225,65 56.255,66 18.021,67 45,68 3.027,69 7.125}
{0 CHEMBL9515,1 2.244,2 2.244,3 2.982,4 2.982,5 124.378,6 2.5,7 7.747,8 281,9 431.74,10 3.149,11 3.463,12 299.89,13 0.837,14 5.691,15 303.354,16 2.855,17 1.774,18 20.067,19 248.26,20 419.94,21 3.232,22 0.388,23 1.537,24 0.587,25 2.354,26 320.549,27 3.982,28 1.158,29 2.996,30 2.996,31 19,32 3.664,33 294,34 116.52,35 29.708,36 41,38 1,39 1,40 54.936,41 2.341,42 3.438,43 6.201,44 3.845,45 4.527,46 4.963,47 79.711,48 2,49 0.712,50 3.49,51 1.111,52 2.867,53 16.105,54 2.041,55 2.041,56 9221,57 12.511,58 3.506,59 2.735,60 2.715,61 4.415,62 1.259,63 4.28,64 2412,65 37.482,66 12.609,67 25,68 1.007,69 3}
{0 CHEMBL9698,1 2.244,2 2.244,3 2.982,4 2.982,5 124.378,6 2.5,7 7.747,8 281,9 431.74,10 3.149,11 3.463,12 299.89,13 0.837,14 5.691,15 303.354,16 2.855,17 1.774,18 20.067,19 248.26,20 419.94,21 3.232,22 0.388,23 1.537,24 0.587,25 2.354,26 320.549,27 3.982,28 1.158,29 2.996,30 2.996,31 19,32 3.664,33 294,34 116.52,35 29.708,36 41,38 1,39 1,40 54.936,41 2.341,42 3.438,43 6.201,44 3.845,45 4.527,46 4.963,47 79.711,48 2,49 0.712,50 3.49,51 1.111,52 2.867,53 16.105,54 2.041,55 2.041,56 9221,57 12.511,58 3.506,59 2.735,60 2.715,61 4.415,62 1.259,63 4.28,64 2412,65 37.482,66 12.609,67 25,68 1.007,69 3}
{0 CHEMBL9752,1 1.845,2 1.845,3 2.286,4 2.286,5 118.859,6 2.342,7 7.638,8 235,9 358.86,10 3.184,11 3.412,12 251.324,13 0.673,14 5.493,15 257.354,16 2.885,17 1.777,18 23.767,19 270.37,20 363.17,21 2.845,22 0.025,23 1.381,24 0.604,25 2.231,26 282.381,27 5.61,28 0.567,29 2.996,30 2.996,31 19,32 3.664,33 258,34 107.52,35 28.549,36 43,37 0.05,38 1.025,39 1.025,40 57.73,41 2.84,42 3.376,43 5.783,44 3.59,45 4.27,46 4.905,47 70.867,48 2.009,49 0.858,50 3.474,51 1.051,52 3.244,53 12.92,54 0.96,55 0.96,56 8470,57 12.214,58 3.504,59 3.235,60 3.236,61 4.619,62 1.194,63 6.189,64 2918,65 31.938,66 15.991,67 23,68 1.205,69 3}
{0 CHEMBL9758,1 1.81,2 1.81,3 2.286,4 2.286,5 111.28,6 2.34,7 7.285,8 231,9 353.1,10 3.135,11 3.366,12 247.162,13 0.608,14 5.463,15 253.354,16 2.739,17 1.756,18 22.467,19 256.34,20 357.41,21 2.806,22 -0.078,23 1.315,24 0.604,25 2.043,26 278.22,27 4.92,28 0.289,29 2.944,30 2.944,31 18,32 3.611,33 254,34 103.52,35 27.289,36 41,37 0.033,38 0.904,39 0.904,40 54.73,41 2.708,42 3.328,43 5.533,44 3.562,45 4.241,46 4.86,47 68.431,48 1.899,49 0.781,50 3.432,51 1,52 3.145,53 12.92,54 0.499,55 0.499,56 7463,57 12.208,58 3.503,59 3.145,60 3.14,61 4.649,62 1.004,63 5.5,64 2411,65 30.72,66 14.994,67 22,68 1.08,69 3}
{0 CHEMBL9777,1 2.244,2 2.244,3 2.982,4 2.982,5 124.378,6 2.5,7 7.747,8 281,9 431.74,10 3.149,11 3.463,12 299.89,13 0.837,14 5.691,15 303.354,16 2.855,17 1.774,18 20.067,19 248.26,20 419.94,21 3.232,22 0.388,23 1.537,24 0.587,25 2.354,26 320.549,27 3.982,28 1.158,29 2.996,30 2.996,31 19,32 3.664,33 294,34 116.52,35 29.708,36 41,38 1,39 1,40 54.936,41 2.341,42 3.438,43 6.201,44 3.845,45 4.527,46 4.963,47 79.711,48 2,49 0.712,50 3.49,51 1.111,52 2.867,53 16.105,54 2.041,55 2.041,56 9221,57 12.511,58 3.506,59 2.735,60 2.715,61 4.415,62 1.259,63 4.28,64 2412,65 37.482,66 12.609,67 25,68 1.007,69 3}
{0 CHEMBL9822,1 1.876,2 1.876,3 2.286,4 2.286,5 126.45,6 2.377,7 7.992,8 239,9 364.62,10 3.232,11 3.456,12 255.485,13 0.777,14 5.521,15 261.354,16 3.03,17 1.797,18 25.067,19 284.4,20 368.93,21 2.875,22 0.312,23 1.442,24 0.604,25 2.332,26 286.543,27 6.298,28 0.81,29 3.045,30 3.045,31 20,32 3.714,33 262,34 111.52,35 29.759,36 45,37 0.07,38 1.026,39 1.026,40 60.73,41 2.917,42 3.421,43 6.033,44 3.618,45 4.297,46 4.949,47 73.519,48 2.009,49 0.934,50 3.515,51 1.11,52 3.318,53 12.92,54 1.407,55 1.407,56 9605,57 12.219,58 3.504,59 3.293,60 3.302,61 4.533,62 1.224,63 6.876,64 3501,65 33.265,66 16.988,67 24,68 1.33,69 4}