@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1966

@attribute molecule_id {CHEMBL104001,CHEMBL104136,CHEMBL104146,CHEMBL104167,CHEMBL104209,CHEMBL104302,CHEMBL104712,CHEMBL104766,CHEMBL104824,CHEMBL105175,CHEMBL106467,CHEMBL106515,CHEMBL106529,CHEMBL106674,CHEMBL106865,CHEMBL106930,CHEMBL107209,CHEMBL107224,CHEMBL107362,CHEMBL107417,CHEMBL107642,CHEMBL1076869,CHEMBL108213,CHEMBL108327,CHEMBL1084927,CHEMBL1084928,CHEMBL1088742,CHEMBL1088743,CHEMBL116206,CHEMBL116946,CHEMBL118125,CHEMBL118168,CHEMBL118395,CHEMBL118455,CHEMBL118468,CHEMBL118489,CHEMBL118499,CHEMBL118586,CHEMBL118645,CHEMBL118647,CHEMBL118727,CHEMBL118894,CHEMBL118921,CHEMBL118997,CHEMBL119193,CHEMBL119564,CHEMBL119676,CHEMBL119697,CHEMBL119780,CHEMBL119801,CHEMBL120640,CHEMBL121898,CHEMBL13380,CHEMBL135703,CHEMBL1373924,CHEMBL141304,CHEMBL141338,CHEMBL141732,CHEMBL142444,CHEMBL142996,CHEMBL143345,CHEMBL143552,CHEMBL143628,CHEMBL143868,CHEMBL1450,CHEMBL154121,CHEMBL154151,CHEMBL154214,CHEMBL154336,CHEMBL154372,CHEMBL154493,CHEMBL154513,CHEMBL154613,CHEMBL154623,CHEMBL154908,CHEMBL155530,CHEMBL155548,CHEMBL155597,CHEMBL155732,CHEMBL157004,CHEMBL157105,CHEMBL157164,CHEMBL157277,CHEMBL1599552,CHEMBL160,CHEMBL1704856,CHEMBL1714424,CHEMBL1738786,CHEMBL1784555,CHEMBL1784556,CHEMBL1784557,CHEMBL1784561,CHEMBL1784562,CHEMBL1784563,CHEMBL1784564,CHEMBL1784566,CHEMBL1784567,CHEMBL1784575,CHEMBL1784576,CHEMBL1784577,CHEMBL1784578,CHEMBL1784579,CHEMBL1784590,CHEMBL1784591,CHEMBL1784711,CHEMBL1784712,CHEMBL1784713,CHEMBL1784714,CHEMBL1784715,CHEMBL1784716,CHEMBL1784717,CHEMBL1929432,CHEMBL1929433,CHEMBL1929434,CHEMBL1929435,CHEMBL1929436,CHEMBL1929437,CHEMBL1929438,CHEMBL1929439,CHEMBL1929440,CHEMBL1929441,CHEMBL1929442,CHEMBL1929443,CHEMBL1929444,CHEMBL1929445,CHEMBL1929446,CHEMBL1929447,CHEMBL1929448,CHEMBL1929449,CHEMBL1929450,CHEMBL1929451,CHEMBL1929452,CHEMBL1929453,CHEMBL193365,CHEMBL193371,CHEMBL194023,CHEMBL194075,CHEMBL194395,CHEMBL194776,CHEMBL194954,CHEMBL194955,CHEMBL195163,CHEMBL195246,CHEMBL195622,CHEMBL1956264,CHEMBL1956265,CHEMBL1956268,CHEMBL1956269,CHEMBL1956272,CHEMBL1956273,CHEMBL1956274,CHEMBL1956275,CHEMBL1956276,CHEMBL1956277,CHEMBL1956278,CHEMBL1956279,CHEMBL1956283,CHEMBL1956285,CHEMBL1956286,CHEMBL1956287,CHEMBL1956288,CHEMBL1956289,CHEMBL1956290,CHEMBL1956291,CHEMBL1956470,CHEMBL1956471,CHEMBL1956472,CHEMBL1956473,CHEMBL1957366,CHEMBL1957370,CHEMBL1957371,CHEMBL1957372,CHEMBL1957379,CHEMBL1957380,CHEMBL1957381,CHEMBL1957460,CHEMBL1957461,CHEMBL1957462,CHEMBL196173,CHEMBL196181,CHEMBL196256,CHEMBL197194,CHEMBL197455,CHEMBL197553,CHEMBL199347,CHEMBL199361,CHEMBL199501,CHEMBL199574,CHEMBL200536,CHEMBL200699,CHEMBL200856,CHEMBL200858,CHEMBL200894,CHEMBL200895,CHEMBL2012820,CHEMBL2012821,CHEMBL2012822,CHEMBL2012823,CHEMBL2012824,CHEMBL2012825,CHEMBL2012826,CHEMBL2012827,CHEMBL2012829,CHEMBL2012830,CHEMBL2012831,CHEMBL2012941,CHEMBL2012951,CHEMBL2012961,CHEMBL2012962,CHEMBL2012963,CHEMBL2012964,CHEMBL2012965,CHEMBL2012966,CHEMBL202431,CHEMBL202667,CHEMBL203836,CHEMBL205773,CHEMBL2172226,CHEMBL2172233,CHEMBL2172234,CHEMBL2172236,CHEMBL2172237,CHEMBL2172238,CHEMBL2177115,CHEMBL2177491,CHEMBL2177492,CHEMBL2177493,CHEMBL2177494,CHEMBL2177495,CHEMBL2177853,CHEMBL2177854,CHEMBL2177855,CHEMBL2177856,CHEMBL2177857,CHEMBL2177858,CHEMBL2177859,CHEMBL2177860,CHEMBL2177861,CHEMBL2177862,CHEMBL2178104,CHEMBL2178105,CHEMBL2178106,CHEMBL2178107,CHEMBL2178108,CHEMBL2178109,CHEMBL2178110,CHEMBL2178111,CHEMBL2178112,CHEMBL2178511,CHEMBL2178512,CHEMBL2178513,CHEMBL2178514,CHEMBL217893,CHEMBL217894,CHEMBL217897,CHEMBL217918,CHEMBL217919,CHEMBL217951,CHEMBL217959,CHEMBL218051,CHEMBL218052,CHEMBL218062,CHEMBL218084,CHEMBL218085,CHEMBL218169,CHEMBL218249,CHEMBL218464,CHEMBL218467,CHEMBL218583,CHEMBL218700,CHEMBL218703,CHEMBL219174,CHEMBL219376,CHEMBL219489,CHEMBL219520,CHEMBL219648,CHEMBL219856,CHEMBL220467,CHEMBL222556,CHEMBL264901,CHEMBL267210,CHEMBL287730,CHEMBL288137,CHEMBL288381,CHEMBL288708,CHEMBL288852,CHEMBL289071,CHEMBL289470,CHEMBL289555,CHEMBL289854,CHEMBL290674,CHEMBL290910,CHEMBL291268,CHEMBL297497,CHEMBL298568,CHEMBL300058,CHEMBL303167,CHEMBL304401,CHEMBL305002,CHEMBL305052,CHEMBL305215,CHEMBL305284,CHEMBL306100,CHEMBL306784,CHEMBL306831,CHEMBL307768,CHEMBL308141,CHEMBL318798,CHEMBL320204,CHEMBL320245,CHEMBL321060,CHEMBL321163,CHEMBL322100,CHEMBL322274,CHEMBL322855,CHEMBL322929,CHEMBL324668,CHEMBL326692,CHEMBL326960,CHEMBL330901,CHEMBL331399,CHEMBL332480,CHEMBL333276,CHEMBL333344,CHEMBL333404,CHEMBL334117,CHEMBL334317,CHEMBL341694,CHEMBL341925,CHEMBL342220,CHEMBL345147,CHEMBL345446,CHEMBL345464,CHEMBL345652,CHEMBL345685,CHEMBL345701,CHEMBL347148,CHEMBL348270,CHEMBL348871,CHEMBL349577,CHEMBL351786,CHEMBL358435,CHEMBL359171,CHEMBL36047,CHEMBL36981,CHEMBL370008,CHEMBL370228,CHEMBL370865,CHEMBL371482,CHEMBL371732,CHEMBL372101,CHEMBL374432,CHEMBL375425,CHEMBL381043,CHEMBL382039,CHEMBL38242,CHEMBL383046,CHEMBL383165,CHEMBL38421,CHEMBL38434,CHEMBL38440,CHEMBL38476,CHEMBL38614,CHEMBL386159,CHEMBL38620,CHEMBL38639,CHEMBL38669,CHEMBL386700,CHEMBL38692,CHEMBL387254,CHEMBL38820,CHEMBL38953,CHEMBL38978,CHEMBL38986,CHEMBL38997,CHEMBL39128,CHEMBL39151,CHEMBL39162,CHEMBL39167,CHEMBL39188,CHEMBL39191,CHEMBL39325,CHEMBL39396,CHEMBL39397,CHEMBL39448,CHEMBL39472,CHEMBL39971,CHEMBL40093,CHEMBL40182,CHEMBL40220,CHEMBL40846,CHEMBL413583,CHEMBL416057,CHEMBL41719,CHEMBL417722,CHEMBL41799,CHEMBL418062,CHEMBL418870,CHEMBL419631,CHEMBL426299,CHEMBL430760,CHEMBL432427,CHEMBL433445,CHEMBL435137,CHEMBL43521,CHEMBL43638,CHEMBL43639,CHEMBL437480,CHEMBL440660,CHEMBL441276,CHEMBL442030,CHEMBL445375,CHEMBL447995,CHEMBL452392,CHEMBL452465,CHEMBL45691,CHEMBL48244,CHEMBL483161,CHEMBL483552,CHEMBL483994,CHEMBL483995,CHEMBL484531,CHEMBL484594,CHEMBL484595,CHEMBL484602,CHEMBL484780,CHEMBL48531,CHEMBL48753,CHEMBL48928,CHEMBL49089,CHEMBL49129,CHEMBL49214,CHEMBL492520,CHEMBL492529,CHEMBL492530,CHEMBL492719,CHEMBL492720,CHEMBL49328,CHEMBL49331,CHEMBL49516,CHEMBL49569,CHEMBL49697,CHEMBL49840,CHEMBL49913,CHEMBL499296,CHEMBL50279,CHEMBL50441,CHEMBL50494,CHEMBL50499,CHEMBL505315,CHEMBL51082,CHEMBL51243,CHEMBL519160,CHEMBL51927,CHEMBL520008,CHEMBL520306,CHEMBL520999,CHEMBL582694,CHEMBL586157,CHEMBL600255,CHEMBL67656,CHEMBL68539,CHEMBL69131,CHEMBL69668,CHEMBL70261,CHEMBL70544,CHEMBL70708,CHEMBL71154,CHEMBL71320,CHEMBL71682,CHEMBL71795,CHEMBL71934,CHEMBL71958,CHEMBL960,CHEMBL973,CHEMBL999}
@attribute nROH numeric
@attribute SsOH numeric
@attribute NsOH numeric
@attribute O.057 numeric
@attribute Eig10_AEA.dm. numeric
@attribute ATS5s numeric
@attribute nArNHR numeric
@attribute nPyrimidines numeric
@attribute IC4 numeric
@attribute C.035 numeric
@attribute Eig08_AEA.bo. numeric
@attribute nDB numeric
@attribute nTriazoles numeric
@attribute SpMax8_Bh.v. numeric
@attribute Eig12_AEA.bo. numeric
@attribute CATS2D_02_AA numeric
@attribute SpMin3_Bh.i. numeric
@attribute CATS2D_04_AN numeric
@attribute nCconj numeric
@attribute nBnz numeric
@attribute IC5 numeric
@attribute NdO numeric
@attribute O.058 numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SpMax3_Bh.p. numeric
@attribute ATS1s numeric
@attribute ATS5m numeric
@attribute C.044 numeric
@attribute P_VSA_i_2 numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_01_AA numeric
@attribute H.051 numeric
@attribute SpAD_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute ATS3v numeric
@attribute ATS6v numeric
@attribute P_VSA_e_5 numeric
@attribute Eig06_AEA.dm. numeric
@attribute CATS2D_03_AA numeric
@attribute Eig10_EA.ri. numeric
@attribute N.075 numeric
@attribute NaaN numeric
@attribute Eig08_AEA.dm. numeric
@attribute SpAD_AEA.dm. numeric
@attribute CATS2D_09_NL numeric
@attribute SpMax7_Bh.m. numeric
@attribute CATS2D_08_NL numeric
@attribute Eig11_AEA.bo. numeric
@attribute P_VSA_i_3 numeric
@attribute Eig10_EA numeric
@attribute SM04_AEA.dm. numeric
@attribute nCbH numeric
@attribute RDSQ numeric
@attribute CATS2D_03_NL numeric
@attribute ATS5v numeric
@attribute Pol numeric
@attribute MPC01 numeric
@attribute MWC01 numeric
@attribute nBO numeric
@attribute pXC50 numeric

@data
{1 1,2 9.805,3 1,4 1,5 1.189,6 6.071,9 5.147,11 3.046,12 1,14 2.715,15 2.389,17 1.754,18 1,19 1,20 2,21 5.147,22 1,23 1,24 1.335,25 0.903,26 1.904,27 2.136,28 2.136,29 3.717,30 5.125,31 4.082,33 135.592,35 1,36 1,37 2,39 2,40 50.198,41 2.162,42 4.09,43 3.894,44 67.828,45 2.329,47 1.161,48 2,49 2,50 1.818,51 50.418,52 2,53 2.803,54 1,55 2.5,56 232.624,57 1.166,58 1.166,59 8,60 268.802,61 2,62 4.035,63 52,64 3.497,65 3.497,66 32,67 6.388}
{0 CHEMBL104136,1 1,2 9.837,3 1,4 1,5 1.58,6 6.091,9 5.342,11 3.046,12 1,14 2.779,15 2.391,17 1.765,18 1,19 1,20 3,21 5.342,22 1,23 1,24 1.337,25 0.904,26 1.909,27 2.451,28 2.451,29 3.752,30 5.141,31 4.276,33 142.656,35 1,36 1,37 2,40 52.488,41 2.381,42 4.168,43 3.959,44 67.828,45 2.799,47 1.375,48 1,49 1,50 2.367,51 54.682,52 2,53 2.962,54 1,55 2.595,56 244.395,57 1.385,58 1.385,59 10,60 281.579,61 1,62 4.105,63 54,64 3.526,65 3.526,66 33,67 7.432}
{0 CHEMBL104146,1 1,2 9.837,3 1,4 1,5 1.498,6 6.063,9 5.342,11 3.046,12 1,14 2.782,15 2.392,17 1.772,18 1,19 1,20 3,21 5.342,22 1,23 1,24 1.339,25 0.891,26 1.899,27 2.474,28 2.474,29 3.749,30 5.142,31 4.219,33 142.656,35 1,36 1,37 1,40 52.672,41 2.414,42 4.177,43 3.969,44 67.828,45 2.829,47 1.406,48 1,49 1,50 2.13,51 54.949,52 2,53 2.965,54 1,55 2.616,56 244.395,57 1.414,58 1.414,59 10,60 282.765,61 2,62 4.119,63 55,64 3.526,65 3.526,66 33,67 7.602}
{0 CHEMBL104167,1 1,2 9.831,3 1,4 1,5 1.458,6 6.113,9 5.333,11 3.046,12 1,14 2.766,15 2.391,17 1.768,18 1,19 1,20 2,21 5.333,22 1,23 1,24 1.337,25 0.906,26 1.907,27 2.451,28 2.451,29 3.733,30 5.16,31 4.125,33 138.127,35 1,36 1,37 2,39 2,40 52.488,41 2.377,42 4.146,43 3.958,44 67.828,45 2.404,47 1.371,48 2,49 2,50 2.052,51 52.113,52 2,53 2.96,54 1,55 2.595,56 256.166,57 1.385,58 1.385,59 7,60 281.579,61 2,62 4.092,63 54,64 3.526,65 3.526,66 33,67 7.092}
{0 CHEMBL104209,1 1,2 9.82,3 1,4 1,5 1.189,6 6.086,9 5.187,11 3.046,12 1,14 2.715,15 2.389,17 1.769,18 1,19 1,20 3,21 5.187,22 1,23 1,24 1.335,25 0.924,26 1.925,27 2.136,28 2.136,29 3.734,30 5.117,31 4.08,33 145.926,35 1,36 1,37 2,40 50.198,41 2.165,42 4.13,43 3.928,44 67.828,45 2.329,47 1.165,48 1,49 1,50 1.818,51 50.418,52 2,53 2.815,54 1,55 2.5,56 244.395,57 1.166,58 1.166,59 11,60 268.802,61 2,62 4.073,63 52,64 3.497,65 3.497,66 32,67 8.081}
{0 CHEMBL104302,1 1,2 9.811,3 1,4 1,5 1.455,6 6.052,9 5.154,11 3.046,12 1,14 2.715,15 2.389,17 1.746,18 1,19 1,20 3,21 5.154,22 1,23 1,24 1.335,25 0.902,26 1.907,27 2.136,28 2.136,29 3.731,30 5.105,31 4.242,33 140.122,35 1,36 1,37 2,40 50.198,41 2.163,42 4.113,43 3.887,44 67.828,45 2.73,47 1.161,48 1,49 1,50 1.913,51 52.859,52 2,53 2.823,54 1,55 2.5,56 220.853,57 1.166,58 1.166,59 11,60 268.802,61 1,62 4.046,63 52,64 3.497,65 3.497,66 32,67 7.77}
{0 CHEMBL104712,1 1,2 9.86,3 1,4 1,5 1.182,6 6.089,9 5.187,11 3.041,12 1,14 2.715,15 2.378,17 1.772,18 1,19 1,20 3,21 5.187,22 1,23 1,24 1.319,25 0.915,26 1.916,27 2.136,28 2.136,29 3.736,30 5.117,31 4.095,33 145.926,35 1,36 1,37 2,40 50.205,41 2.164,42 4.13,43 3.955,44 67.828,45 2.335,47 1.164,48 1,49 1,50 1.841,51 50.396,52 2,53 2.803,54 2,55 2.5,56 244.395,57 1.164,58 1.164,59 11,60 271.08,61 2,62 4.076,63 52,64 3.497,65 3.497,66 32,67 6}
{0 CHEMBL104766,1 1,2 9.846,3 1,4 1,5 1.458,6 6.124,9 5.368,11 3.046,12 1,14 2.78,15 2.391,17 1.788,18 1,19 1,20 3,21 5.368,22 1,23 1,24 1.337,25 0.925,26 1.927,27 2.451,28 2.451,29 3.755,30 5.152,31 4.12,33 148.461,35 1,36 1,37 2,40 52.488,41 2.383,42 4.184,43 3.997,44 67.828,45 2.404,47 1.381,48 1,49 1,50 2.052,51 52.113,52 2,53 2.96,54 1,55 2.595,56 267.937,57 1.385,58 1.385,59 10,60 281.579,61 2,62 4.13,63 54,64 3.526,65 3.526,66 33,67 7.229}
{0 CHEMBL104824,1 1,2 9.82,3 1,4 1,5 1.633,6 6.312,9 5.368,11 3.175,12 1,14 2.781,15 2.562,17 1.785,18 1,19 1,20 3,21 5.368,22 1,23 1,24 1.589,25 1.072,26 2.081,27 2.557,28 2.557,29 3.754,30 5.276,31 4.262,33 147.395,35 1,36 1,37 2,40 57.687,41 2.431,42 4.218,43 4.044,44 67.828,45 2.618,47 1.419,48 1,49 1,50 2.079,51 56.922,52 2,53 3.098,54 1,55 2.667,56 232.624,57 1.437,58 1.437,59 10,60 320.28,61 2,62 4.171,63 60,64 3.611,65 3.611,66 36,67 7.367}
{0 CHEMBL105175,1 1,2 9.864,3 1,4 1,5 1.61,6 6.216,9 5.198,11 3.066,12 1,14 2.715,15 2.5,17 1.777,18 1,19 1,20 3,21 5.198,22 1,23 1,24 1.5,25 1,26 2,27 2.446,28 2.446,29 3.743,30 5.223,31 4.207,33 147.75,35 1,36 1,37 2,40 55.273,41 2.421,42 4.204,43 4.049,44 67.828,45 2.411,47 1.393,48 1,49 1,50 1.876,51 55.018,52 2,53 2.969,54 1,55 2.635,56 244.395,57 1.428,58 1.428,59 11,60 308.442,61 2,62 4.161,63 58,64 3.584,65 3.584,66 35,67 7.509}
{0 CHEMBL106467,1 1,2 9.833,3 1,4 1,5 1.596,6 6.078,9 5.164,11 3.046,12 1,14 2.715,15 2.403,17 1.767,18 1,19 1,20 3,21 5.164,22 1,23 1,24 1.355,25 0.924,26 1.931,27 2.275,28 2.275,29 3.754,30 5.141,31 4.259,33 142.656,35 1,36 1,37 2,40 52.48,41 2.371,42 4.168,43 3.932,44 67.828,45 2.777,47 1.366,48 1,49 1,50 2.417,51 54.553,52 2,53 2.958,54 1,55 2.5,56 244.395,57 1.375,58 1.375,59 10,60 280.775,61 1,62 4.079,63 54,64 3.526,65 3.526,66 33,67 7.886}
{0 CHEMBL106515,1 1,2 9.864,3 1,4 1,5 1.598,6 6.196,9 5.403,11 3.046,12 1,14 2.786,15 2.393,17 1.771,18 1,19 1,20 3,21 5.403,22 1,23 1,24 1.339,25 0.927,26 1.928,27 2.474,28 2.474,29 3.735,30 5.206,31 4.188,33 152.576,35 1,36 1,37 2,40 54.059,41 2.43,42 4.196,43 4.05,44 78.828,45 2.388,47 1.419,48 1,49 1,50 2.046,51 53.549,52 1,53 3.063,54 1,55 2.618,56 278.937,57 1.435,58 1.435,59 10,60 295.056,61 2,62 4.191,63 57,64 3.555,65 3.555,66 34,67 7.699}
{0 CHEMBL106529,1 1,2 9.842,3 1,4 1,5 1.544,6 6.159,9 5.368,11 3.046,12 1,14 2.768,15 2.391,17 1.755,18 1,19 1,20 2,21 5.368,22 1,23 1,24 1.337,25 0.906,26 1.907,27 2.455,28 2.455,29 3.719,30 5.213,31 4.17,33 142.242,35 1,36 1,37 2,39 2,40 53.869,41 2.395,42 4.154,43 3.987,44 78.828,45 2.522,47 1.381,48 2,49 2,50 2.055,51 53.618,52 2,53 3.049,54 1,55 2.597,56 267.166,57 1.412,58 1.412,59 7,60 293.05,61 2,62 4.123,63 56,64 3.555,65 3.555,66 34,67 6.796}
{0 CHEMBL106674,1 1,2 9.829,3 1,4 1,5 1.522,6 6.02,9 5.164,11 3.046,12 1,14 2.715,15 2.403,17 1.779,18 1,19 1,20 3,21 5.164,22 1,23 1,24 1.355,25 0.906,26 1.916,27 2.275,28 2.275,29 3.755,30 5.141,31 4.194,33 142.656,35 1,36 1,37 1,40 52.48,41 2.362,42 4.169,43 3.938,44 67.828,45 2.752,47 1.349,48 1,49 1,50 2.421,51 54.935,52 2,53 2.971,54 1,55 2.5,56 244.395,57 1.375,58 1.375,59 10,60 280.775,61 2,62 4.071,63 54,64 3.526,65 3.526,66 33,67 6.662}
{0 CHEMBL106865,1 1,2 9.843,3 1,4 1,5 1.444,6 6.111,9 5.198,11 3.046,12 1,14 2.715,15 2.403,17 1.79,18 1,19 1,20 3,21 5.198,22 1,23 1,24 1.355,25 0.948,26 1.949,27 2.275,28 2.275,29 3.756,30 5.152,31 4.1,33 148.461,35 1,36 1,37 2,40 52.48,41 2.373,42 4.184,43 3.972,44 67.828,45 2.444,47 1.371,48 1,49 1,50 2.054,51 51.98,52 2,53 2.954,54 1,55 2.5,56 267.937,57 1.375,58 1.375,59 10,60 280.775,61 2,62 4.106,63 54,64 3.526,65 3.526,66 33,67 7.398}
{0 CHEMBL106930,1 1,2 9.86,3 1,4 1,5 1.317,6 6.131,9 5.187,11 2.977,12 1,14 2.715,15 2.399,17 1.757,18 1,19 1,20 3,21 5.187,22 1,23 1,24 1.35,25 0.938,26 1.939,27 2.136,28 2.136,29 3.72,30 5.118,31 4.154,33 145.926,35 1,36 1,37 2,40 50.406,41 2.275,42 4.139,43 4.019,44 67.828,45 2.299,47 1.274,48 1,49 1,50 1.688,51 50.395,52 2,53 2.849,54 2,55 2.5,56 244.395,57 1.277,58 1.277,59 11,60 273.259,61 2,62 4.154,63 53,64 3.497,65 3.497,66 32,67 6.523}
{0 CHEMBL107209,1 1,2 9.858,3 1,4 1,5 1.544,6 6.166,9 5.403,11 3.046,12 1,14 2.782,15 2.391,17 1.771,18 1,19 1,20 3,21 5.403,22 1,23 1,24 1.337,25 0.926,26 1.927,27 2.455,28 2.455,29 3.735,30 5.206,31 4.164,33 152.576,35 1,36 1,37 2,40 53.869,41 2.4,42 4.191,43 4.025,44 78.828,45 2.522,47 1.389,48 1,49 1,50 2.055,51 53.618,52 2,53 3.049,54 1,55 2.597,56 278.937,57 1.412,58 1.412,59 10,60 293.05,61 2,62 4.159,63 56,64 3.555,65 3.555,66 34,67 7.602}
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{0 CHEMBL108213,1 1,2 9.833,3 1,4 1,5 1.516,6 6.034,9 5.342,11 3.046,12 1,14 2.779,15 2.391,17 1.777,18 1,19 1,20 3,21 5.342,22 1,23 1,24 1.337,25 0.889,26 1.897,27 2.451,28 2.451,29 3.753,30 5.141,31 4.213,33 142.656,35 1,36 1,37 1,40 52.488,41 2.375,42 4.169,43 3.965,44 67.828,45 2.776,47 1.363,48 1,49 1,50 2.358,51 55.068,52 2,53 2.968,54 1,55 2.595,56 244.395,57 1.385,58 1.385,59 10,60 281.579,61 2,62 4.096,63 54,64 3.526,65 3.526,66 33,67 6.87}
{0 CHEMBL108327,1 1,2 9.796,3 1,4 1,5 1.457,6 6.326,9 5.187,11 3.177,12 3,14 2.715,15 2.5,16 1,17 1.824,18 1,19 1,20 3,21 5.187,22 3,23 3,24 1.5,25 1,26 2,27 2.343,28 2.343,29 3.843,30 5.164,31 4.425,33 140.122,35 1,36 1,37 2,40 54.429,41 2.163,42 4.192,43 4.041,44 112.141,45 2.736,47 1.161,48 1,49 1,50 1.925,51 55.886,52 2,53 2.842,54 1,55 2.623,56 265.166,57 1.168,58 1.168,59 11,60 302.635,61 1,62 4.164,63 58,64 3.555,65 3.555,66 34,67 6.857}
{0 CHEMBL1084927,1 1,2 9.367,3 1,4 1,5 1,6 5.786,9 5.071,11 2.5,12 2,14 2.542,15 1.008,17 1.528,18 1,19 1,20 1,21 5.071,22 2,23 2,24 -0.292,25 -0.238,26 0.717,27 -0.577,28 -0.577,29 3.435,30 5.018,31 3.705,33 104.837,35 1,36 1,37 1,39 2,40 36.737,41 1.407,42 3.742,43 3.657,44 92.973,45 1.654,47 0.409,48 1,49 1,50 1.295,51 36.492,53 2.733,54 1,55 1.355,56 293.082,57 0.417,58 0.417,59 3,60 170.648,61 1,62 3.725,63 33,64 3.219,65 3.219,66 24,67 5.26}
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{0 CHEMBL116206,5 0.254,6 5.156,7 1,9 4.106,10 1,11 1.284,14 1.891,17 1.282,20 1,21 4.106,24 -1.118,25 -0.864,26 -0.3,27 -3,28 -3,29 3.059,30 4.704,31 2.984,33 74.993,34 1,39 3,40 27.379,41 0.042,42 3.234,43 2.721,45 1,47 -0.7,48 1,49 1,50 0.51,51 26.506,53 2.218,55 0.36,56 94.169,57 -0.91,58 -0.91,59 4,60 111.677,62 2.883,63 21,64 2.944,65 2.944,66 18,67 4.783}
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{0 CHEMBL118647,5 1,6 5.668,7 1,9 4.712,10 1,11 2.534,14 2.533,15 1.346,17 1.481,20 1,21 4.712,26 0.939,29 3.558,30 5.041,31 3.619,33 116.712,34 1,40 39.931,41 1.955,42 3.655,43 3.336,45 1.968,47 0.952,48 2,49 2,50 1.392,51 41.03,53 2.687,55 2.399,56 94.169,57 1,58 1,59 4,60 191.495,62 3.469,63 36,64 3.296,65 3.296,66 26,67 4.301}
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{0 CHEMBL119801,5 0.211,6 5.019,7 1,9 4.21,11 2.406,14 2.035,15 0.44,17 1.272,20 1,21 4.21,24 -1.5,25 -1,27 -3,28 -3,29 3.074,30 4.732,31 2.943,33 94.146,39 3,40 27.673,41 0.432,42 3.296,43 2.864,45 1.875,47 -0.507,48 1,49 1,50 1,51 31.16,53 2.532,55 0.5,56 82.398,57 -0.529,58 -0.529,59 4,60 111.533,62 2.939,63 23,64 2.944,65 2.944,66 18,67 5.495}
{0 CHEMBL120640,5 -0.039,6 5.309,7 1,9 3.965,11 2.406,14 2.57,15 0.408,17 1.527,20 1,21 3.965,24 -1,25 -1,27 -3,28 -3,29 3.456,30 4.804,31 3.125,33 104.02,39 3,40 31.404,41 0.465,42 3.653,43 3.129,45 1.602,47 -0.486,48 1,49 1,50 1,51 33.375,53 2.615,55 0.5,56 188.338,57 -0.503,58 -0.503,59 4,60 132.72,62 3.343,63 27,64 3.045,65 3.045,66 20,67 5.444}
{0 CHEMBL121898,5 -0.515,6 4.944,7 1,9 4.208,11 1.474,14 1.902,15 0.038,17 1.257,20 1,21 4.208,24 -1.538,25 -1.175,26 -0.311,27 -3.052,28 -3.052,29 2.955,30 4.692,31 2.89,33 77.116,39 3,40 26.308,41 0.149,42 3.256,43 2.836,45 1.377,47 -0.75,48 1,49 1,50 0.602,51 27.763,53 2.37,55 0.469,56 82.398,57 -0.795,58 -0.795,59 4,60 103.068,62 2.91,63 21,64 2.89,65 2.89,66 17,67 4.301}
{0 CHEMBL13380,5 0.636,6 5.616,7 1,8 1,9 4.647,10 1,11 2.583,13 1,14 2.339,15 0.8,16 4,17 1.182,20 1,21 4.647,24 -0.597,25 -0.443,26 0.45,27 -1.195,28 -1.195,29 3.234,30 4.9,31 3.718,32 1,33 124.431,34 1,38 1,39 3,40 37.699,41 1.062,42 3.6,43 3.306,45 1.978,46 1,47 0.138,48 3,49 3,50 1.148,51 36.972,53 2.581,55 1.074,56 94.169,57 0.194,58 0.194,59 3,60 176.423,62 3.359,63 34,64 3.219,65 3.219,66 24,67 4}
{0 CHEMBL135703,2 9.762,3 1,4 1,5 0.397,6 5.002,8 1,9 4.478,10 1,11 2.199,13 1,14 2.22,15 0.75,16 4,17 1.302,20 1,21 4.478,24 -0.697,25 -0.526,26 0.375,27 -1.345,28 -1.345,29 3.361,30 4.759,31 3.349,32 1,33 74.504,34 1,38 1,39 3,40 31.771,41 0.642,42 3.459,43 2.951,44 42.683,45 2.038,46 1,47 -0.236,48 3,49 3,50 1,51 34.116,53 2.666,55 0.778,56 172.165,57 -0.264,58 -0.264,59 5,60 137.314,62 3.098,63 26,64 3.091,65 3.091,66 21,67 4.051}
{0 CHEMBL1373924,5 0.413,6 5.265,9 4.851,11 2.529,12 1,14 2.45,15 0.761,17 1.367,19 1,20 2,21 4.851,22 1,23 1,24 -0.923,25 -0.661,26 0.308,27 -1.437,28 -1.437,29 3.325,30 4.788,31 3.393,32 1,33 103.217,40 33.338,41 1.241,42 3.531,43 3.151,44 36.145,45 1.532,47 0.304,48 1,49 1,50 1.227,51 33.76,53 2.579,55 1.077,56 165.627,57 0.347,58 0.347,59 8,60 147.387,62 3.209,63 28,64 3.135,65 3.135,66 22,67 5.166}
{0 CHEMBL141304,5 1.081,6 5.857,9 4.979,11 2.902,12 2,14 2.715,15 2.297,17 1.67,19 2,20 2,21 4.979,22 2,23 2,24 1.191,25 0.837,26 1.843,27 2.136,28 2.136,29 3.679,30 5.165,31 3.975,33 140.99,34 2,38 1,40 47.356,41 2,42 3.965,43 3.919,44 50.29,45 2.239,46 2,47 1,48 1,49 1,50 1.646,51 48.48,53 3.071,55 2.49,56 336.632,57 1,58 1,59 9,60 243.675,62 3.886,63 41,64 3.466,65 3.466,66 31,67 4.301}
{0 CHEMBL141338,5 1.875,6 6.214,9 5.341,11 3.296,12 3,14 2.977,15 2.5,16 1,17 1.867,19 3,20 3,21 5.341,22 3,23 3,24 1.5,25 1,26 2,27 2.72,28 2.72,29 3.839,30 5.462,31 4.244,33 191.692,34 2,38 1,40 65.418,41 2.457,42 4.285,43 4.223,44 86.435,45 2.709,46 2,47 1.453,48 1,49 1,50 2.4,51 67.326,53 3.213,55 2.645,56 404.254,57 1.454,58 1.454,59 13,60 379.089,62 4.238,63 59,64 3.784,65 3.784,66 43,67 4.301}
{0 CHEMBL141732,1 1,2 9.695,3 1,4 1,5 0.569,6 5.725,9 4.289,11 2.5,12 2,14 2.259,15 0.5,17 1.138,19 3,20 1,21 4.289,22 1,23 1,24 -1,25 -0.7,26 0.168,27 -2.07,28 -2.07,29 3.409,30 4.952,31 3.417,33 81.168,40 34.995,41 0.721,42 3.502,43 3.086,44 67.828,45 2.068,47 -0.271,50 1.263,51 36.178,53 2.687,55 0.586,56 173.768,57 -0.276,58 -0.276,59 4,60 150.55,62 3.268,63 31,64 3.135,65 3.135,66 22,67 6.932}
{0 CHEMBL142444,5 1.646,6 6.101,9 5.375,11 3.059,12 2,14 2.91,15 2.5,17 1.815,19 2,20 2,21 5.375,22 2,23 2,24 1.5,25 1,26 2,27 2.706,28 2.706,29 3.776,30 5.378,31 4.215,33 166.133,34 2,38 1,40 62.167,41 2.415,42 4.258,43 4.171,44 50.29,45 2.72,46 2,47 1.39,48 2,49 2,50 2.088,51 63.392,53 3.279,55 2.5,56 383.716,57 1.439,58 1.439,59 8,60 354.258,62 4.188,63 56,64 3.738,65 3.738,66 41,67 4.301}
{0 CHEMBL142996,1 1,2 9.886,3 1,4 1,5 1,6 5.669,9 4.619,11 2.623,12 2,14 2.69,15 1.31,17 1.625,19 3,20 2,21 4.619,22 1,23 1,24 -0.392,25 -0.251,26 0.736,27 -0.466,28 -0.466,29 3.683,30 4.975,31 3.539,33 123.975,40 38.361,41 1.88,42 3.731,43 3.407,44 67.828,45 2.062,47 0.876,50 1.263,51 40.874,53 2.687,55 1.463,56 232.624,57 0.934,58 0.934,59 9,60 174.582,62 3.589,63 34,64 3.258,65 3.258,66 25,67 7.276}
{0 CHEMBL143345,5 1.876,6 6.185,9 5.167,11 3.211,12 3,14 2.951,15 2.5,16 1,17 1.672,19 3,20 2,21 5.167,22 3,23 3,24 1.5,25 1,26 2,27 2.3,28 2.3,29 3.671,30 5.399,31 4.196,33 158.776,34 2,38 1,40 60.021,41 2.325,42 4.221,43 4.179,44 86.435,45 2.581,46 2,47 1.32,48 1,49 1,50 2.244,51 61.771,53 3.167,55 2.5,56 427.797,57 1.322,58 1.322,59 8,60 336.544,62 4.192,63 54,64 3.689,65 3.689,66 39,67 4.301}
{0 CHEMBL143552,5 1.458,6 5.947,9 5.299,11 2.919,12 2,14 2.76,15 2.5,17 1.815,19 2,20 2,21 5.299,22 2,23 2,24 1.5,25 1,26 2,27 2.207,28 2.207,29 3.775,30 5.291,31 4.025,33 173.664,34 2,38 1,40 52.861,41 2.025,42 4.013,43 3.971,44 61.29,45 2.529,46 2,47 1.015,48 2,49 2,50 1.646,51 53.9,53 3.027,55 2.5,56 284.941,57 1.064,58 1.064,59 9,60 286.933,62 3.967,63 47,64 3.584,65 3.584,66 35,67 5.301}
{0 CHEMBL143628,5 1.439,6 5.89,9 5.084,11 2.918,12 2,14 2.715,15 2.5,17 1.85,19 2,20 3,21 5.124,22 2,23 2,24 1.5,25 1,26 2,27 2.197,28 2.197,29 3.815,30 5.218,31 4.027,33 171.372,34 2,38 1,40 51.401,41 2,42 4.001,43 3.96,44 50.29,45 2.529,46 2,47 1,48 1,49 1,50 1.646,51 52.604,53 3.084,55 2.5,56 289.547,57 1.037,58 1.037,59 14,60 275.505,62 3.918,63 45,64 3.555,65 3.555,66 34,67 4.301}
{0 CHEMBL143868,5 1.439,6 5.92,9 5.148,11 3.052,12 2,14 2.725,15 2.5,17 1.85,19 2,20 3,21 5.148,22 2,23 2,24 1.5,25 1,26 2,27 2.275,28 2.275,29 3.815,30 5.25,31 4.048,33 173.906,34 2,38 1,40 53.535,41 2.019,42 4.062,43 3.993,44 50.29,45 2.529,46 2,47 1,48 1,49 1,50 2.086,51 54.151,53 3.134,55 2.5,56 313.089,57 1.062,58 1.062,59 13,60 287.353,62 3.955,63 47,64 3.584,65 3.584,66 35,67 4.301}
{0 CHEMBL1450,1 1,2 10.415,3 1,4 1,5 1.261,6 6.11,9 4.736,11 2.613,12 3,14 2.715,15 2,17 1.727,19 4,20 2,21 4.825,22 2,23 2,24 0.867,25 0.575,26 1.618,27 1.339,28 1.339,29 3.679,30 5.02,31 3.884,33 112.458,34 1,40 46.485,41 2,42 4.112,43 3.779,44 92.973,45 2.307,47 1,50 1.554,51 46.977,53 2.866,55 2.266,56 344.002,57 1,58 1,59 8,60 229.169,62 3.95,63 47,64 3.401,65 3.401,66 29,67 4.839}
{0 CHEMBL154121,1 1,2 9.122,3 1,4 1,5 1.439,6 6.431,9 5.033,11 2.917,12 3,14 2.753,15 1.734,17 1.635,18 1,19 4,20 2,21 5.033,22 2,23 2,24 0.582,25 0.445,26 1.409,27 0.995,28 0.995,29 3.676,30 5.185,31 3.99,33 119.943,35 1,36 1,37 2,40 46.056,41 1.83,42 3.92,43 3.705,44 103.973,45 2.555,47 0.825,50 1.657,51 46.133,52 1,53 2.913,54 1,55 1.88,56 280.54,57 0.847,58 0.847,59 6,60 229.27,61 2,62 3.829,63 44,64 3.401,65 3.401,66 29,67 7.377}
{0 CHEMBL154151,1 1,2 9.197,3 1,4 1,5 1.198,6 6.146,9 4.929,11 2.753,12 3,14 2.721,15 1.858,17 1.642,18 1,19 4,20 2,21 4.929,22 2,23 2,24 0.778,25 0.72,26 1.729,27 1.742,28 1.742,29 3.704,30 5.114,31 3.874,33 118.101,35 1,36 1,37 2,40 45.74,41 2,42 4.007,43 3.654,44 92.973,45 2.427,47 1,50 1.591,51 45.684,52 1,53 3.094,54 2,55 2.104,56 355.773,57 1,58 1,59 7,60 222.664,61 2,62 3.839,63 42,64 3.401,65 3.401,66 29,67 7.301}
{0 CHEMBL154214,1 1,2 9.114,3 1,4 1,5 1.475,6 6.452,9 5.033,11 2.865,12 3,14 2.728,15 1.863,17 1.637,18 1,19 4,20 2,21 5.033,22 2,23 2,24 0.784,25 0.721,26 1.731,27 1.742,28 1.742,29 3.677,30 5.246,31 3.978,33 119.233,35 1,36 1,37 2,40 48.317,41 2,42 3.914,43 3.615,44 103.973,45 2.562,47 1,50 1.874,51 47.779,52 1,53 2.872,54 1,55 2.106,56 256.997,57 1,58 1,59 7,60 244.104,61 2,62 3.784,63 43,64 3.466,65 3.466,66 31,67 5.244}
{0 CHEMBL154336,1 1,2 9.184,3 1,4 1,5 1.535,6 6.403,9 5.253,11 2.943,12 3,14 2.774,15 2.105,17 1.642,18 1,19 4,20 2,21 5.253,22 2,23 2,24 0.917,25 0.722,26 1.731,27 1.742,28 1.742,29 3.701,30 5.276,31 4.039,33 129.899,35 1,36 1,37 2,40 49.786,41 2.105,42 3.964,43 3.8,44 103.973,45 2.76,47 1.104,50 2.42,51 51.371,52 1,53 3.141,54 1,55 2.587,56 256.997,57 1.108,58 1.108,59 7,60 259.658,61 2,62 3.9,63 45,64 3.497,65 3.497,66 32,67 6.432}
{0 CHEMBL154372,1 1,2 9.232,3 1,4 1,5 1.148,6 6.203,9 5.137,11 2.815,12 3,14 2.774,15 1.739,17 1.639,18 1,19 4,20 2,21 5.262,22 2,23 2,24 0.597,25 0.456,26 1.417,27 0.896,28 0.896,29 3.679,30 5.158,31 3.888,33 127.304,34 1,35 1,36 1,37 2,40 45.152,41 1.795,42 3.95,43 3.797,44 114.973,45 2.524,47 0.789,50 1.612,51 45.22,52 1,53 3.022,54 1,55 1.868,56 338.624,57 0.791,58 0.791,59 7,60 224.948,61 2,62 3.883,63 42,64 3.401,65 3.401,66 29,67 6.77}
{0 CHEMBL154493,1 1,2 9.116,3 1,4 1,5 1.475,6 6.454,9 5.215,11 2.865,12 3,14 2.733,15 1.862,17 1.637,18 1,19 4,20 2,21 5.215,22 2,23 2,24 0.783,25 0.721,26 1.73,27 1.742,28 1.742,29 3.677,30 5.246,31 4.019,33 119.233,35 1,36 1,37 2,40 48.281,41 2.104,42 3.914,43 3.691,44 103.973,45 2.557,47 1.103,50 1.874,51 47.827,52 1,53 2.875,54 1,55 2.105,56 256.997,57 1.108,58 1.108,59 7,60 246.538,61 2,62 3.814,63 43,64 3.466,65 3.466,66 31,67 6.553}
{0 CHEMBL154513,1 1,2 9.075,3 1,4 1,5 1.439,6 6.419,9 4.972,11 2.861,12 3,14 2.734,15 1.681,17 1.635,18 1,19 4,20 2,21 4.972,22 2,23 2,24 0.454,25 0.347,26 1.325,27 0.938,28 0.938,29 3.674,30 5.154,31 3.925,33 112.938,35 1,36 1,37 2,40 44.705,41 1.829,42 3.859,43 3.552,44 92.973,45 2.555,47 0.824,50 1.603,51 44.897,52 1,53 2.882,54 1,55 1.878,56 234.226,57 0.846,58 0.846,59 6,60 217.739,61 2,62 3.682,63 42,64 3.367,65 3.367,66 28,67 7.347}
{0 CHEMBL154613,1 1,2 9.135,3 1,4 1,5 1.436,6 6.44,9 4.762,11 2.892,12 3,14 2.729,15 1.876,17 1.64,18 1,19 4,20 2,21 4.762,22 2,23 2,24 0.8,25 0.723,26 1.733,27 1.743,28 1.743,29 3.694,30 5.21,31 3.948,33 123.366,35 1,36 1,37 2,40 47.947,41 2,42 4,43 3.674,44 92.973,45 2.592,47 1,50 1.73,51 48.046,52 1,53 2.913,54 1,55 2.109,56 304.853,57 1,58 1,59 6,60 237.771,61 2,62 3.833,63 45,64 3.434,65 3.434,66 30,67 6.215}
{0 CHEMBL154623,1 1,2 9.065,3 1,4 1,5 1.86,6 6.852,9 5.033,11 3.052,12 3,14 2.787,15 1.877,17 1.633,18 1,19 4,20 2,21 5.033,22 2,23 2,24 0.8,25 0.723,26 1.733,27 1.743,28 1.743,29 3.675,30 5.395,31 4.341,33 118.167,35 1,36 1,37 2,40 55.367,41 2.166,42 3.99,43 3.799,44 103.973,45 2.907,47 1.16,50 2.543,51 54.405,52 1,53 3.047,54 1,55 2.109,56 221.684,57 1.177,58 1.177,59 4,60 295.647,61 2,62 3.917,63 54,64 3.555,65 3.555,66 34,67 8.155}
{0 CHEMBL154908,1 1,2 9.168,3 1,4 1,5 1.03,6 6.066,9 4.972,11 2.78,12 3,14 2.715,15 1.529,17 1.638,18 1,19 4,20 2,21 4.972,22 2,23 2,24 0.239,25 0.157,26 1.124,27 0.448,28 0.448,29 3.714,30 4.995,31 3.976,33 147.561,35 1,36 1,37 2,40 42.335,41 1.796,42 3.891,43 3.593,44 92.973,45 2.549,47 0.788,50 1.549,51 42.729,52 1,53 3.138,54 1,55 1.862,56 285.146,57 0.793,58 0.793,59 7,60 201.256,61 2,62 3.687,63 38,64 3.332,65 3.332,66 27,67 5.538}
{0 CHEMBL155530,1 1,2 9.17,3 1,4 1,5 1.476,6 6.486,9 5.246,11 2.943,12 5,14 2.775,15 2.105,16 1,17 1.644,18 1,19 4,20 2,21 5.246,22 4,23 2,24 0.948,25 0.782,26 1.789,27 1.979,28 1.979,29 3.699,30 5.336,31 4.131,33 112.868,34 1,35 1,36 1,37 2,38 2,40 51.767,41 2.105,42 3.976,43 3.835,44 154.72,45 2.673,47 1.104,50 2.38,51 51.54,52 1,53 3.142,54 1,55 2.587,56 307.744,57 1.108,58 1.108,59 7,60 274.21,61 2,62 3.928,63 47,64 3.526,65 3.526,66 33,67 6.409}
{0 CHEMBL155548,1 1,2 9.164,3 1,4 1,5 1.475,6 6.366,9 5.215,11 2.865,12 3,14 2.754,15 1.862,17 1.638,18 1,19 4,20 2,21 5.215,22 2,23 2,24 0.783,25 0.721,26 1.73,27 1.742,28 1.742,29 3.689,30 5.211,31 4.122,33 113.612,35 1,36 1,37 2,40 48.281,41 2.104,42 3.94,43 3.74,44 103.973,45 2.557,47 1.103,50 1.887,51 47.846,52 1,53 3.142,54 1,55 2.105,56 296.146,57 1.108,58 1.108,59 7,60 246.538,61 2,62 3.852,63 43,64 3.466,65 3.466,66 31,67 6.538}
{0 CHEMBL155597,1 1,2 9.19,3 1,4 1,5 1.475,6 6.354,9 5.225,11 2.865,12 3,14 2.773,15 1.862,17 1.643,18 1,19 4,20 2,21 5.225,22 2,23 2,24 0.783,25 0.721,26 1.73,27 1.742,28 1.742,29 3.701,30 5.224,31 3.987,33 122.122,35 1,36 1,37 2,40 48.281,41 2.104,42 3.965,43 3.803,44 103.973,45 2.553,47 1.103,50 1.663,51 47.682,52 1,53 2.978,54 1,55 2.105,56 292.311,57 1.108,58 1.108,59 7,60 246.538,61 2,62 3.902,63 43,64 3.466,65 3.466,66 31,67 6.824}
{0 CHEMBL155732,1 1,2 9.213,3 1,4 1,5 1.17,6 6.165,9 5.215,11 2.832,12 3,14 2.758,15 1.744,17 1.638,18 1,19 4,20 2,21 5.215,22 2,23 2,24 0.599,25 0.458,26 1.419,27 0.903,28 0.903,29 3.685,30 5.088,31 3.913,33 114.678,34 1,35 1,36 1,37 2,40 44.047,41 1.796,42 3.926,43 3.713,44 103.973,45 2.273,47 0.79,50 1.603,51 43.904,52 1,53 3.069,54 1,55 1.869,56 331.459,57 0.792,58 0.792,59 7,60 215.297,61 2,62 3.82,63 41,64 3.367,65 3.367,66 28,67 6.648}
{0 CHEMBL157004,1 1,2 9.139,3 1,4 1,5 1.476,6 6.577,9 5.225,11 2.943,12 3,14 2.774,15 2.105,17 1.642,18 1,19 4,20 2,21 5.225,22 2,23 2,24 0.949,25 0.784,26 1.791,27 1.988,28 1.988,29 3.7,30 5.34,31 4.221,33 121.057,35 1,36 1,37 2,40 53.302,41 2.121,42 4.008,43 3.9,44 103.973,45 2.692,47 1.107,50 2.387,51 51.893,52 1,53 3.142,54 1,55 2.582,56 256.997,57 1.158,58 1.158,59 7,60 290.188,61 2,62 3.981,63 49,64 3.555,65 3.555,66 34,67 6.076}
{0 CHEMBL157105,1 1,2 9.097,3 1,4 1,5 1.476,6 6.59,9 5.033,11 2.954,12 3,14 2.753,15 1.876,17 1.636,18 1,19 4,20 2,21 5.033,22 2,23 2,24 0.8,25 0.723,26 1.733,27 1.743,28 1.743,29 3.676,30 5.298,31 4.132,33 118.877,35 1,36 1,37 2,40 50.399,41 2.11,42 3.937,43 3.733,44 103.973,45 2.592,47 1.108,50 2.451,51 50.138,52 1,53 2.913,54 1,55 2.109,56 245.226,57 1.115,58 1.115,59 6,60 262.194,61 2,62 3.847,63 46,64 3.497,65 3.497,66 32,67 7.481}
{0 CHEMBL157164,1 1,2 9.216,3 1,4 1,5 1.245,6 6.196,9 4.791,11 2.888,12 3,14 2.726,15 1.858,17 1.653,18 1,19 4,20 2,21 4.791,22 2,23 2,24 0.778,25 0.72,26 1.73,27 1.742,28 1.742,29 3.758,30 5.14,31 3.906,33 128.213,35 1,36 1,37 2,40 47.303,41 2,42 4.119,43 3.721,44 92.973,45 2.458,47 1,50 1.732,51 48.144,52 1,53 3.101,54 2,55 2.104,56 391.086,57 1,58 1,59 7,60 235.534,61 2,62 3.917,63 44,64 3.434,65 3.434,66 30,67 7.097}
{0 CHEMBL157277,1 1,2 9.189,3 1,4 1,5 1.173,6 6.173,9 5.215,11 2.796,12 3,14 2.754,15 1.689,17 1.638,18 1,19 4,20 2,21 5.215,22 2,23 2,24 0.565,25 0.43,26 1.379,27 0.793,28 0.793,29 3.689,30 5.088,31 3.98,33 114.678,35 1,36 1,37 2,40 43.898,41 1.794,42 3.924,43 3.712,44 103.973,45 2.274,47 0.787,50 1.652,51 44.069,52 1,53 3.062,54 1,55 1.863,56 331.459,57 0.79,58 0.79,59 7,60 214.228,61 2,62 3.834,63 41,64 3.367,65 3.367,66 28,67 6.509}
{0 CHEMBL1599552,2 9.785,3 1,4 1,5 0.489,6 5.043,8 1,9 4.736,10 1,11 2.2,13 1,14 2.232,15 0.752,16 4,17 1.302,20 1,21 4.736,24 -0.657,25 -0.521,26 0.403,27 -1.321,28 -1.321,29 3.361,30 4.79,31 3.453,32 1,33 68.529,34 1,38 1,39 3,40 34.13,41 0.708,42 3.541,43 3.015,44 42.683,45 2.088,46 1,47 -0.098,48 3,49 3,50 1.409,51 36.107,53 2.67,55 1.024,56 199.543,57 -0.137,58 -0.137,59 4,60 148.699,62 3.144,63 29,64 3.135,65 3.135,66 22,67 4.921}
{0 CHEMBL160,1 1,2 12.089,3 1,5 3.574,6 7.911,9 5.791,11 3.918,12 12,14 3.574,15 3.499,16 7,17 1.782,21 6.194,22 11,23 11,24 2.564,25 2.322,26 3.34,27 7.001,28 7.001,29 3.712,30 6.314,31 5.6,33 296.82,34 11,40 141.064,41 3.494,42 5.304,43 5.704,44 319.278,45 3.793,46 11,47 2.485,50 3.673,51 138.631,53 3.642,55 3.612,56 1567.01,57 2.496,58 2.496,60 1137.18,62 5.589,63 150,64 4.454,65 4.454,66 85,67 4.301}
{0 CHEMBL1704856,2 9.778,3 1,4 1,5 0.563,6 5.024,8 1,9 4.478,10 1,11 2.201,13 1,14 2.236,15 0.752,16 4,17 1.303,20 1,21 4.478,24 -0.657,25 -0.521,26 0.403,27 -1.322,28 -1.322,29 3.368,30 4.789,31 3.445,32 1,33 68.529,34 1,38 1,39 3,40 33.957,41 0.715,42 3.523,43 3.023,44 42.683,45 2.163,46 1,47 -0.097,48 3,49 3,50 1,51 36.051,53 2.687,55 1.034,56 199.543,57 -0.135,58 -0.135,59 4,60 147.316,62 3.135,63 28,64 3.135,65 3.135,66 22,67 4.409}
{0 CHEMBL1714424,5 0.084,6 5.152,7 1,8 1,9 4.514,10 1,11 2.207,13 1,14 2.331,15 0.721,16 4,17 1.352,20 1,21 4.514,24 -0.77,25 -0.603,26 0.356,27 -1.434,28 -1.434,29 3.26,30 4.748,31 3.209,32 1,33 88.498,34 1,38 1,39 3,40 32.007,41 0.924,42 3.515,43 3.22,45 1.149,46 1,47 -0.03,48 3,49 3,50 0.897,51 31.011,53 2.541,55 0.925,56 164.795,57 -0.032,58 -0.032,59 4,60 139.837,62 3.326,63 27,64 3.091,65 3.091,66 21,67 4}
{0 CHEMBL1738786,5 0.899,6 5.775,7 1,8 1,9 4.554,10 1,11 2.707,13 1,14 2.38,15 0.989,16 4,17 1.497,20 1,21 4.554,24 -0.503,25 -0.358,26 0.551,27 -1.029,28 -1.029,29 3.413,30 5.072,31 3.71,32 1,33 89.257,34 1,38 1,39 3,40 43.035,41 1.741,42 3.685,43 3.518,45 2.157,46 1,47 0.749,48 3,49 3,50 1.579,51 41.663,53 2.687,55 1.358,56 129.482,57 0.794,58 0.794,59 4,60 209.261,62 3.524,63 39,64 3.332,65 3.332,66 27,67 4}
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{0 CHEMBL1784556,5 0.528,6 5.303,7 1,8 1,9 4.734,10 1,11 2.478,13 1,14 2.494,15 0.932,16 4,17 1.563,20 1,21 4.734,24 -0.528,25 -0.383,26 0.534,27 -0.983,28 -0.983,29 3.479,30 4.835,31 3.38,32 1,33 93.567,34 1,38 1,39 3,40 34.642,41 1.381,42 3.645,43 3.453,45 1.424,46 1,47 0.387,48 3,49 3,50 1,51 33.566,53 2.687,55 1.217,56 211.88,57 0.391,58 0.391,59 4,60 156.811,62 3.525,63 29,64 3.178,65 3.178,66 23,67 4}
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{0 CHEMBL1784562,5 0.312,6 5.184,7 1,8 1,9 4.479,10 1,11 2.5,13 1,14 2.33,15 0.786,16 4,17 1.195,20 1,21 4.479,24 -0.586,25 -0.462,26 0.478,27 -1.17,28 -1.17,29 3.579,30 4.759,31 3.258,32 1,33 82.208,34 1,38 1,39 3,40 35.263,41 1.095,42 3.57,43 3.258,45 1.693,46 1,47 0.124,48 3,49 3,50 1,51 34.721,53 2.576,55 1.033,56 164.795,57 0.129,58 0.129,59 4,60 155.97,62 3.388,63 29,64 3.178,65 3.178,66 23,67 4}
{0 CHEMBL1784563,5 0.083,6 5.125,7 1,8 1,9 4.539,10 1,11 2.321,12 1,13 1,14 2.323,15 0.751,16 4,17 1.323,19 2,20 1,21 4.539,24 -0.83,25 -0.603,26 0.356,27 -1.434,28 -1.434,29 3.257,30 4.772,31 3.198,32 1,33 102.382,34 1,38 1,39 3,40 32.007,41 0.924,42 3.483,43 3.196,45 1.148,46 1,47 -0.03,48 3,49 3,50 0.87,51 30.915,53 2.505,55 0.984,56 141.253,57 -0.032,58 -0.032,59 4,60 139.837,62 3.287,63 27,64 3.091,65 3.091,66 21,67 4}
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{0 CHEMBL1784566,5 0.9,6 5.669,7 1,8 1,9 4.453,10 1,11 2.5,13 1,14 2.332,15 0.815,16 4,17 1.186,20 1,21 4.453,24 -0.579,25 -0.433,26 0.472,27 -1.16,28 -1.16,29 3.236,30 4.914,31 3.59,32 1,33 81.628,34 1,38 1,39 3,40 36.486,41 1.127,42 3.52,43 3.282,45 2.014,46 1,47 0.202,48 3,49 3,50 1.148,51 37.647,53 2.687,55 1.093,56 105.94,57 0.232,58 0.232,59 4,60 169.875,62 3.403,63 30,64 3.219,65 3.219,66 24,67 4.301}
{0 CHEMBL1784567,5 0.535,6 5.651,7 1,8 1,9 4.306,10 1,11 2.5,13 1,14 2.314,15 0.743,16 4,17 1.4,20 1,21 4.306,24 -0.747,25 -0.568,26 0.364,27 -1.537,28 -1.537,29 3.52,30 4.839,31 3.527,32 1,33 75.504,34 1,38 1,39 3,40 41.902,41 0.992,42 3.592,43 3.233,45 1.935,46 1,47 0.046,48 3,49 3,50 1,51 40.222,53 2.527,55 0.976,56 105.94,57 0.049,58 0.049,59 4,60 189.952,62 3.353,63 35,64 3.258,65 3.258,66 25,67 4}
{0 CHEMBL1784575,5 0.15,6 5.142,7 1,8 1,9 4.638,10 1,11 2.202,13 1,14 2.048,15 0.717,16 4,17 1.173,20 1,21 4.638,24 -0.84,25 -0.563,26 0.276,27 -1.741,28 -1.741,29 3.233,30 4.769,31 3.291,32 1,33 77.098,34 1,38 1,39 3,40 32.661,41 0.692,42 3.43,43 3.155,45 1.951,46 1,47 -0.153,48 3,49 3,50 0.898,51 32.454,53 2.462,55 0.861,56 133.317,57 -0.181,58 -0.181,59 3,60 142.173,62 3.184,63 28,64 3.091,65 3.091,66 21,67 4.301}
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{0 CHEMBL1784577,5 0.827,6 5.621,7 1,8 1,9 4.389,10 1,11 2.598,13 1,14 2.294,15 1,16 4,17 1.189,20 1,21 4.389,24 -0.445,25 -0.303,26 0.557,27 -0.898,28 -0.898,29 3.234,30 5.031,31 3.462,32 1,33 84.188,34 1,38 1,39 3,40 40.046,41 1.055,42 3.576,43 3.238,45 2.339,46 1,47 0.121,48 3,49 3,50 1.146,51 38.796,53 2.582,55 1.094,56 82.398,57 0.135,58 0.135,59 2,60 188.753,62 3.319,63 37,64 3.258,65 3.258,66 25,67 4.523}
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{0 CHEMBL1784579,5 0.752,6 5.134,7 1,8 1,9 4.736,10 1,11 2.243,13 1,14 2.313,15 0.887,16 5,17 1.174,20 1,21 4.736,24 -0.564,25 -0.416,26 0.5,27 -1.095,28 -1.095,29 3.233,30 4.81,31 3.27,32 1,33 81.614,34 1,38 1,39 3,40 35.066,41 1.398,42 3.482,43 3.215,44 22,45 1.987,46 1,47 0.429,48 3,49 3,50 1.147,51 35.434,53 2.461,55 1.225,56 139.711,57 0.464,58 0.464,59 3,60 159.565,62 3.27,63 29,64 3.178,65 3.178,66 23,67 4}
{0 CHEMBL1784590,5 0.762,6 5.361,7 1,8 1,9 4.765,10 1,11 2.596,13 1,14 2.31,15 0.893,16 4,17 1.494,20 1,21 4.879,24 -0.504,25 -0.366,26 0.514,27 -1.042,28 -1.042,29 3.336,30 4.84,31 3.398,32 1,33 82.281,34 1,38 1,39 3,40 37.231,41 1.456,42 3.666,43 3.379,45 1.854,46 1,47 0.461,48 3,49 3,50 1.145,51 36.985,53 2.501,55 1.206,56 153.024,57 0.472,58 0.472,59 3,60 170.888,62 3.44,63 31,64 3.219,65 3.219,66 24,67 4.301}
{0 CHEMBL1784591,5 0.759,6 5.234,7 1,8 1,9 4.765,10 1,11 2.596,13 1,14 2.323,15 0.893,16 4,17 1.494,20 1,21 4.879,24 -0.504,25 -0.248,26 0.499,27 -1.042,28 -1.042,29 3.389,30 4.768,31 3.711,32 1,33 122.169,34 1,38 1,39 3,40 37.231,41 1.439,42 3.707,43 3.413,45 1.854,46 1,47 0.43,48 3,49 3,50 1.145,51 36.964,53 2.763,55 1.206,56 153.024,57 0.472,58 0.472,59 3,60 170.888,62 3.491,63 31,64 3.219,65 3.219,66 24,67 4.301}
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{0 CHEMBL1784713,5 0.51,6 5.399,7 1,8 1,9 4.352,10 1,11 2.5,13 1,14 2.206,15 0.741,16 4,17 1.164,20 1,21 4.352,24 -0.751,25 -0.508,26 0.223,27 -1.531,28 -1.531,29 3.165,30 4.871,31 3.522,32 1,33 76.388,34 1,38 1,40 35.51,41 0.979,42 3.468,43 3.089,45 1.821,46 1,47 0.037,48 3,49 3,50 1,51 34.838,53 2.575,55 0.97,56 109.775,57 0.039,58 0.039,59 4,60 162.062,62 3.216,63 31,64 3.178,65 3.178,66 23,67 4}
{0 CHEMBL1784714,5 0.78,6 5.584,7 1,8 1,9 4.565,10 1,11 2.468,13 1,14 2.57,15 0.962,16 4,17 1.46,20 1,21 4.565,24 -0.516,25 -0.385,26 0.531,27 -0.897,28 -0.897,29 3.376,30 4.891,31 3.567,32 1,33 99.858,34 1,38 1,39 3,40 38.01,41 1.626,42 3.787,43 3.627,45 1.428,46 1,47 0.641,48 3,49 3,50 1.13,51 36.073,53 2.687,55 1.262,56 235.422,57 0.677,58 0.677,59 4,60 174.822,62 3.741,63 35,64 3.219,65 3.219,66 24,67 4}
{0 CHEMBL1784715,5 0.881,6 5.902,7 1,8 1,9 4.609,10 1,11 2.5,13 1,14 2.547,15 1.082,16 4,17 1.316,20 1,21 4.609,24 -0.207,25 -0.163,26 0.743,27 -0.386,28 -0.386,29 3.363,30 5.027,31 3.778,32 1,33 94.083,34 1,38 1,39 3,40 40.573,41 1.652,42 3.67,43 3.606,44 11,45 2.066,46 1,47 0.667,48 3,49 3,50 1.134,51 39.065,53 2.687,55 1.422,56 164.024,57 0.713,58 0.713,59 4,60 195.22,62 3.711,63 36,64 3.296,65 3.296,66 26,67 4}
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{0 CHEMBL193371,1 1,2 9.08,3 1,4 1,5 1.606,6 6.013,9 5.249,11 2.894,12 3,14 2.765,15 1.856,17 1.649,18 1,19 4,20 2,21 5.249,22 2,23 2,24 0.776,25 0.674,26 1.67,27 1.741,28 1.741,29 3.719,30 5.176,31 3.864,33 109.928,35 1,36 1,37 1,40 46.935,41 1.8,42 3.899,43 3.679,44 114.973,45 2.607,47 0.788,50 2.237,51 47.722,53 3.107,54 1,55 2.081,56 334.523,57 0.904,58 0.904,59 6,60 231.14,62 3.658,63 43,64 3.434,65 3.434,66 30,67 7.387}
{0 CHEMBL194023,1 1,2 9.123,3 1,4 1,5 1.61,6 6.165,9 5.184,11 2.789,12 3,14 2.732,15 1.584,17 1.637,18 1,19 4,20 2,21 5.184,22 2,23 2,24 0.481,25 0.367,26 1.294,27 0.624,28 0.624,29 3.676,30 5.114,31 3.85,33 114.494,35 1,36 1,37 1,40 43.679,41 1.7,42 3.865,43 3.612,44 103.973,45 2.545,47 0.695,50 2.145,51 46.5,52 1,53 2.864,54 1,55 1.862,56 268.769,57 0.787,58 0.787,59 7,60 212.463,61 1,62 3.718,63 40,64 3.367,65 3.367,66 28,67 6.883}
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{0 CHEMBL194395,1 2,2 18.848,3 2,4 1,5 1.171,6 6.377,9 5.297,11 2.831,12 3,14 2.733,15 1.584,17 1.636,18 1,19 4,20 2,21 5.297,22 2,23 2,24 0.481,25 0.367,26 1.294,27 0.624,28 0.624,29 3.677,30 5.194,31 3.901,33 117.764,35 1,36 1,37 1,40 46.135,41 2.055,42 3.934,43 3.651,44 146.656,45 2.539,47 1.048,50 1.862,51 45.753,52 1,53 2.862,54 1,55 1.991,56 323.223,57 1.052,58 1.052,59 7,60 225.509,61 2,62 3.784,63 43,64 3.401,65 3.401,66 29,67 6.167}
{0 CHEMBL194776,1 1,2 9.196,3 1,4 1,5 2.152,6 5.995,9 5.059,11 2.933,12 3,14 2.785,15 1.857,17 1.65,18 1,19 4,20 2,21 5.059,22 2,23 2,24 0.776,25 0.629,26 1.622,27 1.741,28 1.741,29 3.803,30 5.142,31 4.293,33 187.584,35 1,36 1,37 1,40 49.128,41 1.888,42 3.988,43 3.809,44 103.973,45 2.607,47 0.824,50 2.54,51 52.245,53 3.331,54 2,55 2.101,56 272.604,57 1.051,58 1.051,59 5,60 246.201,61 1,62 3.767,63 46,64 3.466,65 3.466,66 31,67 6.979}
{0 CHEMBL194954,1 1,2 8.985,3 1,4 1,5 1.86,6 6.812,9 4.993,11 3.052,12 3,14 2.746,15 1.877,17 1.633,18 1,19 4,20 2,21 4.993,22 2,23 2,24 0.8,25 0.675,26 1.673,27 1.743,28 1.743,29 3.663,30 5.409,31 4.334,33 119.748,35 1,36 1,37 1,40 55.367,41 2.164,42 3.949,43 3.768,44 114.973,45 2.912,47 1.158,50 2.625,51 54.787,52 1,53 3.047,54 1,55 2.109,56 209.142,57 1.177,58 1.177,59 4,60 295.647,62 3.877,63 54,64 3.555,65 3.555,66 34,67 7.237}
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{0 CHEMBL195622,1 1,2 9.117,3 1,4 1,5 1.398,6 6.417,9 5.033,11 2.866,12 3,14 2.753,15 1.662,17 1.636,18 1,19 4,20 2,21 5.033,22 2,23 2,24 0.483,25 0.37,26 1.311,27 0.905,28 0.905,29 3.676,30 5.185,31 3.961,33 119.943,35 1,36 1,37 2,40 45.87,41 1.827,42 3.914,43 3.669,44 103.973,45 2.568,47 0.823,50 1.632,51 46.205,52 1,53 2.913,54 1,55 1.876,56 280.54,57 0.843,58 0.843,59 6,60 227.408,61 2,62 3.783,63 43,64 3.401,65 3.401,66 29,67 7.959}
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{0 CHEMBL1956268,5 0.862,6 5.61,7 1,8 1,9 4.446,10 1,11 2.5,13 1,14 2.57,15 0.986,16 4,17 1.624,20 1,21 4.446,24 -0.505,25 -0.361,26 0.55,27 -1.028,28 -1.028,29 3.503,30 5.009,31 3.608,32 1,33 96.258,34 1,38 1,39 4,40 41.145,41 1.729,42 3.727,43 3.556,45 2.09,46 1,47 0.738,48 3,49 3,50 1.095,51 39.905,53 2.687,55 1.356,56 176.567,57 0.782,58 0.782,59 4,60 196.003,62 3.562,63 37,64 3.296,65 3.296,66 26,67 4}
{0 CHEMBL1956269,5 0.892,6 5.8,7 1,8 1,9 4.395,10 1,11 2.5,13 1,14 2.57,15 0.992,16 4,17 1.624,20 1,21 4.395,24 -0.503,25 -0.356,26 0.549,27 -1.027,28 -1.027,29 3.543,30 4.964,31 3.75,32 1,33 86.863,34 1,38 1,39 4,40 47.754,41 1.731,42 3.798,43 3.59,45 2.211,46 1,47 0.74,48 3,49 3,50 1.098,51 45.29,53 2.687,55 1.367,56 176.567,57 0.784,58 0.784,59 4,60 224.988,62 3.621,63 41,64 3.367,65 3.367,66 28,67 4}
{0 CHEMBL1956272,5 0.889,6 5.664,7 1,8 1,9 4.245,10 1,11 2.707,13 1,14 2.57,15 0.989,16 4,17 1.705,20 1,21 4.245,24 -0.503,25 -0.359,26 0.552,27 -1.029,28 -1.029,29 3.577,30 5.053,31 3.674,32 1,33 105.083,34 1,38 1,39 3,40 43.035,41 1.743,42 3.833,43 3.649,45 2.133,46 1,47 0.751,48 3,49 3,50 1.369,51 42.158,53 2.687,55 1.358,56 200.109,57 0.794,58 0.794,59 4,60 209.261,62 3.636,63 39,64 3.332,65 3.332,66 27,67 4}
{0 CHEMBL1956273,5 0.921,6 5.844,7 1,8 1,9 4.211,10 1,11 2.707,13 1,14 2.57,15 0.995,16 4,17 1.705,20 1,21 4.211,24 -0.501,25 -0.354,26 0.551,27 -1.027,28 -1.027,29 3.593,30 5.01,31 3.808,32 1,33 95.689,34 1,38 1,39 3,40 49.409,41 1.746,42 3.897,43 3.68,45 2.264,46 1,47 0.754,48 3,49 3,50 1.369,51 47.429,53 2.687,55 1.368,56 200.109,57 0.797,58 0.797,59 4,60 238.6,62 3.69,63 43,64 3.401,65 3.401,66 29,67 4}
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{0 CHEMBL1956283,5 0.552,6 5.486,7 1,8 1,9 4.514,10 1,11 2.5,13 1,14 2.319,15 0.776,16 4,17 1.496,20 1,21 4.514,24 -0.625,25 -0.454,26 0.409,27 -1.28,28 -1.28,29 3.412,30 4.9,31 3.627,32 1,33 81.812,34 1,38 1,39 3,40 37.752,41 1.042,42 3.588,43 3.477,45 2.008,46 1,47 0.118,48 3,49 3,50 1,51 37.399,53 2.687,55 1.056,56 168.631,57 0.144,58 0.144,59 4,60 175.897,62 3.435,63 33,64 3.219,65 3.219,66 24,67 4}
{0 CHEMBL1956285,5 0.93,6 5.938,7 1,8 1,9 4.487,10 1,11 2.707,13 1,14 2.459,15 0.995,16 4,17 1.497,20 1,21 4.487,24 -0.501,25 -0.353,26 0.55,27 -1.027,28 -1.027,29 3.527,30 5.03,31 3.839,32 1,33 79.862,34 1,38 1,39 3,40 49.409,41 1.744,42 3.759,43 3.553,45 2.28,46 1,47 0.752,48 3,49 3,50 1.58,51 47.537,53 2.687,55 1.368,56 129.482,57 0.797,58 0.797,59 4,60 238.6,62 3.584,63 43,64 3.401,65 3.401,66 29,67 4}
{0 CHEMBL1956286,5 0.605,6 5.563,7 1,8 1,9 4.628,10 1,11 2.5,13 1,14 2.561,15 1.052,16 4,17 1.583,20 1,21 4.628,24 -0.428,25 -0.262,26 0.57,27 -0.87,28 -0.87,29 3.483,30 4.939,31 3.693,32 1,33 84.347,34 1,38 1,39 3,40 39.643,41 1.31,42 3.665,43 3.557,45 2.01,46 1,47 0.341,48 3,49 3,50 1,51 38.41,53 2.757,55 1.385,56 192.173,57 0.369,58 0.369,59 4,60 186.84,62 3.512,63 36,64 3.258,65 3.258,66 25,67 4}
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{0 CHEMBL1957366,2 10.443,3 1,4 1,5 1.45,6 6.159,9 5.089,11 3.053,14 2.715,15 2.5,17 1.718,20 2,21 5.089,24 1.371,25 0.888,26 1.889,27 2.275,28 2.275,29 3.68,30 5.25,31 4.115,33 155.26,40 51.675,41 2.156,42 4.01,43 3.842,44 53.683,45 2.374,47 1.154,48 2,49 2,50 1.747,51 52.606,53 2.924,55 2.597,56 183.165,57 1.165,58 1.165,59 8,60 275.994,62 3.992,63 51,64 3.526,65 3.526,66 33,67 6.699}
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{0 CHEMBL1957380,2 10.413,3 1,4 1,5 1.031,6 5.663,9 4.993,11 2.854,14 2.699,15 2.382,17 1.668,20 1,21 4.993,24 1.225,25 0.694,26 1.681,27 1.452,28 1.452,29 3.627,30 5.047,31 3.709,33 139.341,40 43.374,41 1.956,42 3.882,43 3.562,44 42.683,45 1.949,47 0.954,48 3,49 3,50 1.45,51 45.21,53 2.761,55 2.5,56 172.165,57 1,58 1,59 4,60 215.013,62 3.733,63 43,64 3.367,65 3.367,66 28,67 5.244}
{0 CHEMBL1957381,2 10.445,3 1,4 1,5 1.133,6 5.724,9 5.003,11 2.907,14 2.715,15 2.384,17 1.69,20 1,21 5.003,24 1.225,25 0.694,26 1.681,27 1.453,28 1.453,29 3.65,30 5.082,31 3.768,33 141.876,39 3,40 45.512,41 2,42 3.947,43 3.658,44 42.683,45 2.315,47 1,48 3,49 3,50 1.451,51 46.919,53 2.915,55 2.5,56 195.708,57 1,58 1,59 4,60 226.997,62 3.823,63 45,64 3.401,65 3.401,66 29,67 5.004}
{0 CHEMBL1957460,2 10.464,3 1,4 1,5 1.442,6 5.789,9 5.003,11 2.907,14 2.715,15 2.395,17 1.691,20 1,21 5.003,24 1.225,25 0.698,26 1.686,27 1.464,28 1.464,29 3.661,30 5.105,31 3.907,33 135.9,39 3,40 47.717,41 2,42 4.005,43 3.69,44 42.683,45 2.322,47 1,48 3,49 3,50 1.758,51 49.22,53 2.928,55 2.5,56 223.085,57 1,58 1,59 4,60 240.871,62 3.872,63 49,64 3.434,65 3.434,66 30,67 5.886}
{0 CHEMBL1957461,2 10.413,3 1,4 1,5 1.044,6 5.667,9 4.912,11 2.871,14 2.715,15 2.174,17 1.466,20 1,21 4.912,24 1.013,25 0.632,26 1.615,27 1.443,28 1.443,29 3.594,30 5.059,31 3.718,33 128.785,38 1,40 44.22,41 1.895,42 3.87,43 3.563,44 42.683,45 2.266,47 0.894,48 3,49 3,50 1.45,51 45.62,53 2.819,55 2.388,56 183.937,57 0.935,58 0.935,59 4,60 216.174,62 3.722,63 42,64 3.367,65 3.367,66 28,67 5.004}
{0 CHEMBL1957462,2 10.486,3 1,4 1,5 1.441,6 5.866,9 4.953,11 3.042,14 2.789,15 2.392,17 1.55,20 1,21 4.953,24 1.225,25 0.7,26 1.688,27 1.465,28 1.465,29 3.65,30 5.132,31 3.854,33 133.854,38 1,39 6,40 48.714,41 2,42 4.017,43 3.755,44 42.683,45 2.311,47 1,48 3,49 3,50 1.751,51 49.109,53 2.923,55 2.5,56 231.021,57 1,58 1,59 4,60 243.2,62 3.947,63 49,64 3.434,65 3.434,66 30,67 5.959}
{0 CHEMBL196173,1 1,2 9.091,3 1,4 1,5 1,6 6.489,9 4.772,11 2.617,12 5,14 2.715,15 1.322,16 1,17 1.741,18 3,19 4,20 2,21 4.772,22 4,23 4,24 -0.064,25 -0.049,26 0.944,27 -0.122,28 -0.122,29 3.684,30 5.016,31 3.89,33 108.199,35 1,36 1,37 1,40 41.857,41 2,42 3.85,43 3.475,44 137.286,45 2.46,47 1,50 1.823,51 44.261,52 1,53 2.687,54 1,55 1.858,56 290.31,57 1,58 1,59 9,60 201.824,62 3.651,63 37,64 3.332,65 3.332,66 27,67 5.42}
{0 CHEMBL196181,1 1,2 9.21,3 1,4 1,5 1.493,6 6.098,9 5.096,11 2.933,12 3,14 2.785,15 1.857,17 1.65,18 1,19 4,20 2,21 5.096,22 2,23 2,24 0.776,25 0.716,26 1.726,27 1.741,28 1.741,29 3.809,30 5.154,31 4.279,33 193.389,35 1,36 1,37 2,40 49.128,41 1.904,42 4.011,43 3.818,44 103.973,45 2.587,47 0.853,50 2.401,51 49.44,53 3.237,54 2,55 2.101,56 296.146,57 1.051,58 1.051,59 5,60 246.201,61 2,62 3.795,63 46,64 3.466,65 3.466,66 31,67 6.959}
{0 CHEMBL196256,1 2,2 19.023,3 2,4 1,5 1.171,6 6.414,9 5.297,11 2.811,12 3,14 2.733,15 1.584,17 1.636,18 1,19 4,20 2,21 5.297,22 2,23 2,24 0.481,25 0.367,26 1.294,27 0.624,28 0.624,29 3.677,30 5.194,31 3.93,33 117.764,35 1,36 1,37 2,40 46.138,41 2.075,42 3.934,43 3.669,44 146.656,45 2.538,47 1.055,50 1.874,51 45.795,52 1,53 2.858,54 1,55 2.002,56 323.223,57 1.088,58 1.088,59 7,60 226.016,61 1,62 3.794,63 43,64 3.401,65 3.401,66 29,67 5.836}
{0 CHEMBL197194,1 1,2 9.136,3 1,4 1,5 1.146,6 6.253,9 5.215,11 2.789,12 3,14 2.733,15 1.584,17 1.637,18 1,19 4,20 2,21 5.215,22 2,23 2,24 0.481,25 0.367,26 1.294,27 0.624,28 0.624,29 3.677,30 5.126,31 3.827,33 120.298,35 1,36 1,37 2,40 43.679,41 1.793,42 3.89,43 3.624,44 103.973,45 2.527,47 0.786,50 1.61,51 44.118,52 1,53 2.858,54 1,55 1.862,56 292.311,57 0.787,58 0.787,59 7,60 212.463,61 2,62 3.747,63 40,64 3.367,65 3.367,66 28,67 6.873}
{0 CHEMBL197455,1 1,2 9.056,3 1,4 1,5 1.587,6 6.177,9 5.184,11 2.789,12 3,14 2.73,15 1.584,17 1.637,18 1,19 4,20 2,21 5.184,22 2,23 2,24 0.481,25 0.367,26 1.294,27 0.624,28 0.624,29 3.665,30 5.144,31 3.816,33 121.88,35 1,36 1,37 1,40 43.679,41 1.722,42 3.845,43 3.586,44 114.973,45 2.538,47 0.723,50 1.612,51 44.254,52 1,53 2.853,54 1,55 1.862,56 279.768,57 0.787,58 0.787,59 7,60 212.463,62 3.7,63 40,64 3.367,65 3.367,66 28,67 6.444}
{0 CHEMBL197553,1 1,2 9.207,3 1,4 1,5 1.475,6 6.041,9 4.914,11 2.891,12 3,14 2.715,15 1.854,17 1.65,18 1,19 4,20 2,21 4.914,22 2,23 2,24 0.771,25 0.68,26 1.704,27 1.741,28 1.741,29 3.808,30 5.071,31 4.211,33 199.72,35 1,36 1,37 2,40 44.673,41 1.849,42 3.937,43 3.763,44 103.973,45 2.573,47 0.824,50 1.893,51 45.353,53 3.152,54 2,55 2.087,56 280.54,57 0.976,58 0.976,59 7,60 220.152,61 2,62 3.76,63 40,64 3.401,65 3.401,66 29,67 6.896}
{0 CHEMBL199347,1 1,2 9.034,3 1,4 1,5 1.439,6 6.535,9 5.003,11 3.081,12 2,14 2.753,15 2.248,17 1.607,18 1,19 2,20 2,21 5.003,22 2,23 2,24 1.066,25 0.635,26 1.631,27 1.743,28 1.743,29 3.679,30 5.296,31 4.226,33 126.572,35 1,36 1,37 1,40 50.586,41 2.13,42 3.887,43 3.769,44 103.973,45 2.592,47 1.124,50 2.173,51 49.878,52 1,53 2.913,54 1,55 2.305,56 198.142,57 1.147,58 1.147,59 6,60 265.727,61 1,62 3.858,63 47,64 3.497,65 3.497,66 32,67 8}
{0 CHEMBL199361,1 1,2 9.029,3 1,4 1,5 1.485,6 6.716,9 5.003,11 2.917,12 2,14 2.77,15 1.801,17 1.59,18 1,19 2,20 2,21 5.003,22 2,23 2,24 0.686,25 0.479,26 1.446,27 1.464,28 1.464,29 3.678,30 5.291,31 4.289,33 126.927,35 1,36 1,37 2,40 51.14,41 1.746,42 3.919,43 3.752,44 103.973,45 2.629,47 0.739,50 1.86,51 50.377,52 1,53 3.047,54 1,55 2.248,56 209.913,57 0.851,58 0.851,59 4,60 261.387,61 1,62 3.863,63 52,64 3.466,65 3.466,66 31,67 9}
{0 CHEMBL199501,1 1,2 9.059,3 1,4 1,5 1,6 5.78,9 4.725,11 2.5,12 2,14 2.715,15 1.322,17 1.608,18 1,19 2,20 2,21 4.725,22 2,23 2,24 -0.076,25 -0.058,26 0.938,27 -0.141,28 -0.141,29 3.679,30 4.958,31 3.544,33 121.698,35 1,36 1,37 1,40 38.215,41 1.693,42 3.714,43 3.374,44 92.973,45 1.823,47 0.687,50 1.058,51 38.943,52 1,53 2.687,54 1,55 2.243,56 222.455,57 0.778,58 0.778,59 9,60 176.461,61 1,62 3.502,63 33,64 3.258,65 3.258,66 25,67 6}
{0 CHEMBL199574,1 1,2 9.161,3 1,4 1,5 0.776,6 5.678,9 5.129,11 2.715,12 2,14 2.452,15 1.246,17 1.508,19 2,20 3,21 5.129,22 2,23 2,24 -0.282,25 -0.158,26 0.718,27 -0.486,28 -0.486,29 3.497,30 4.943,31 3.832,33 163.66,35 1,36 1,37 1,40 38.8,41 1.696,42 3.787,43 3.383,44 92.973,45 1.837,47 0.685,50 1.538,51 39.332,52 2,53 2.854,54 2,55 1.301,56 210.684,57 0.708,58 0.708,59 10,60 181.483,61 2,62 3.528,63 36,64 3.258,65 3.258,66 25,67 5.518}
{0 CHEMBL200536,1 1,2 9.139,3 1,4 1,5 0.688,6 5.652,9 4.958,11 2.686,12 2,14 2.447,15 1.031,17 1.504,19 2,20 3,21 5.072,22 2,23 2,24 -0.694,25 -0.482,26 0.54,27 -1.132,28 -1.132,29 3.454,30 4.934,31 3.48,33 124.127,35 1,36 1,37 1,40 36.85,41 1.649,42 3.727,43 3.328,44 92.973,45 1.618,47 0.648,50 1.379,51 37.635,52 2,53 2.673,54 2,55 1.289,56 222.455,57 0.648,58 0.648,59 11,60 170.265,61 2,62 3.458,63 34,64 3.219,65 3.219,66 24,67 4.86}
{0 CHEMBL200699,1 1,2 9.074,3 1,4 1,5 1.249,6 6.351,9 5.083,11 2.909,12 2,14 2.753,15 2.132,17 1.593,18 1,19 2,20 2,21 5.083,22 2,23 2,24 1.066,25 0.641,26 1.639,27 1.731,28 1.731,29 3.682,30 5.206,31 4.019,33 130.172,35 1,36 1,37 2,40 47.231,41 1.936,42 3.89,43 3.728,44 103.973,45 2.57,47 0.926,50 1.712,51 47.393,52 1,53 2.913,54 1,55 2.247,56 256.997,57 1,58 1,59 6,60 237.574,61 1,62 3.812,63 44,64 3.434,65 3.434,66 30,67 8.523}
{0 CHEMBL200856,1 1,2 9.081,3 1,4 1,5 1.264,6 6.364,9 5.083,11 2.938,12 2,14 2.753,15 2.149,17 1.592,18 1,19 2,20 2,21 5.083,22 2,23 2,24 1.066,25 0.642,26 1.64,27 1.734,28 1.734,29 3.68,30 5.206,31 4.061,33 130.172,35 1,36 1,37 2,40 47.419,41 1.938,42 3.897,43 3.796,44 103.973,45 2.352,47 0.928,50 1.742,51 47.288,52 1,53 2.913,54 1,55 2.248,56 256.997,57 1,58 1,59 6,60 239.992,61 1,62 3.868,63 45,64 3.434,65 3.434,66 30,67 8.046}
{0 CHEMBL200858,1 1,2 9.123,3 1,4 1,5 1.058,6 6.043,9 5.203,11 2.906,12 2,14 2.761,15 1.702,17 1.593,18 1,19 2,20 2,21 5.203,22 2,23 2,24 0.581,25 0.438,26 1.389,27 0.818,28 0.818,29 3.688,30 5.085,31 4,33 122.373,35 1,36 1,37 2,40 43.906,41 1.716,42 3.87,43 3.665,44 103.973,45 2.275,47 0.708,50 1.596,51 43.66,52 1,53 3.063,54 2,55 2.243,56 284.375,57 0.781,58 0.781,59 7,60 214.263,61 1,62 3.796,63 41,64 3.367,65 3.367,66 28,67 7.921}
{0 CHEMBL200894,1 2,2 18.304,3 2,4 2,5 1.411,6 6.505,9 5.316,11 2.897,12 3,14 2.734,15 2.274,17 1.636,18 3,19 3,20 2,21 5.316,22 3,23 3,24 1.093,25 0.632,26 1.627,27 1.831,28 1.831,29 3.681,30 5.274,31 4.079,33 122.612,35 2,36 2,37 3,40 49.554,41 2.103,42 3.949,43 3.695,44 171.801,45 2.542,47 1.1,50 1.875,51 49.379,52 2,53 3.059,54 3,55 2.358,56 301.283,57 1.11,58 1.11,59 7,60 249.9,61 2,62 3.827,63 47,64 3.466,65 3.466,66 31,67 6}
{0 CHEMBL200895,1 1,2 9.003,3 1,4 1,5 1.249,6 6.341,9 5.083,11 2.909,12 2,14 2.738,15 2.132,17 1.608,18 1,19 2,20 2,21 5.083,22 2,23 2,24 1.066,25 0.723,26 1.733,27 1.731,28 1.731,29 3.674,30 5.241,31 3.989,33 138.353,35 1,36 1,37 1,40 47.231,41 1.937,42 3.872,43 3.703,44 113.48,45 2.57,47 0.926,50 1.712,51 47.393,52 1,53 2.913,54 1,55 2.247,56 266.505,57 1,58 1,59 6,60 237.574,62 3.79,63 44,64 3.434,65 3.434,66 30,67 7.796}
{0 CHEMBL2012820,5 0.448,6 4.959,9 4.694,10 1,11 2.173,12 1,14 2.149,15 0.624,16 1,17 1.507,19 1,20 1,21 4.694,22 1,23 1,24 -1.271,25 -0.838,26 0.123,27 -2.126,28 -2.126,29 3.224,30 4.673,31 3.244,33 85.153,40 31.522,41 1.131,42 3.442,43 2.981,44 25.145,45 1.36,47 0.138,48 1,49 1,50 1.001,51 31.241,53 2.68,55 0.699,56 142.856,57 0.143,58 0.143,59 4,60 132.164,62 3.203,63 26,64 3.045,65 3.045,66 20,67 4.523}
{0 CHEMBL2012821,5 0.449,6 5.135,9 4.789,10 1,11 2.194,12 1,14 2.152,15 0.669,16 1,17 1.508,19 1,20 1,21 4.789,22 1,23 1,24 -1.056,25 -0.721,26 0.197,27 -1.873,28 -1.873,29 3.347,30 4.716,31 3.387,33 87.688,40 32.58,41 1.359,42 3.503,43 3.14,44 25.145,45 1.511,47 0.397,48 1,49 1,50 1.008,51 32.285,53 2.682,55 0.701,56 166.398,57 0.43,58 0.43,59 4,60 140.838,62 3.316,63 27,64 3.091,65 3.091,66 21,67 4.523}
{0 CHEMBL2012822,5 0.626,6 5.218,9 4.879,10 1,11 2.339,12 1,14 2.278,15 0.699,16 1,17 1.51,19 1,20 1,21 4.879,22 1,23 1,24 -1.029,25 -0.714,26 0.197,27 -1.801,28 -1.801,29 3.461,30 4.762,31 3.465,33 90.222,40 34.069,41 1.36,42 3.565,43 3.261,44 25.145,45 1.546,47 0.401,48 1,49 1,50 1.009,51 33.737,53 2.682,55 1.291,56 189.94,57 0.439,58 0.439,59 4,60 149.27,62 3.395,63 28,64 3.135,65 3.135,66 22,67 4.523}
{0 CHEMBL2012823,5 0.453,6 5.293,9 4.629,10 1,11 2.399,12 1,14 2.28,15 0.698,16 1,17 1.51,19 1,20 1,21 4.629,22 1,23 1,24 -1,25 -0.719,26 0.197,27 -1.873,28 -1.873,29 3.474,30 4.771,31 3.512,33 94.407,40 34.478,41 1.36,42 3.592,43 3.277,44 25.145,45 1.546,47 0.399,48 1,49 1,50 1.009,51 34.256,53 2.682,55 0.823,56 189.94,57 0.435,58 0.435,59 4,60 150.939,62 3.419,63 28,64 3.135,65 3.135,66 22,67 4.523}
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{0 CHEMBL2012825,5 0.712,6 5.279,9 4.837,10 1,11 2.423,12 1,14 2.246,15 1,16 1,17 1.519,19 1,20 1,21 4.837,22 1,23 1,26 1,29 3.732,30 4.772,31 3.574,33 84.361,40 36.459,41 1.506,42 3.62,43 3.348,44 25.145,45 1.546,47 0.518,48 1,49 1,50 1.049,51 36.694,53 2.682,55 1.766,56 189.94,57 0.572,58 0.572,59 4,60 166.227,62 3.466,63 29,64 3.219,65 3.219,66 24,67 4.523}
{0 CHEMBL2012826,5 0.712,6 5.281,9 4.965,10 1,11 2.409,12 1,14 2.281,15 0.765,16 1,17 1.516,19 1,20 1,21 4.965,22 1,23 1,24 -0.44,25 -0.4,26 0.6,27 -0.651,28 -0.651,29 3.535,30 4.806,31 3.506,33 92.757,40 35.227,41 1.472,42 3.629,43 3.344,44 25.145,45 1.546,47 0.482,48 1,49 1,50 1.047,51 34.894,53 2.739,55 1.73,56 213.483,57 0.528,58 0.528,59 4,60 157.564,62 3.458,63 29,64 3.178,65 3.178,66 23,67 4.523}
{0 CHEMBL2012827,5 0.714,6 5.368,9 4.773,10 1,11 2.432,12 1,14 2.556,15 1.618,16 1,17 1.51,19 1,20 1,21 4.773,22 1,23 1,24 0.618,25 0.399,26 1.36,27 1.071,28 1.071,29 3.734,30 4.816,31 3.642,33 86.895,40 38.073,41 1.618,42 3.72,43 3.451,44 25.145,45 1.546,47 0.618,48 1,49 1,50 1.318,51 38.544,53 2.682,55 1.928,56 213.483,57 0.658,58 0.658,59 4,60 176.878,62 3.538,63 30,64 3.258,65 3.258,66 25,67 4.523}
{0 CHEMBL2012829,5 0.712,6 5.349,9 4.76,10 1,11 2.573,12 1,14 2.218,15 0.926,16 1,17 1.554,19 1,20 1,21 4.76,22 1,23 1,24 -0.49,25 -0.376,26 0.564,27 -0.981,28 -0.981,29 3.732,30 4.776,31 3.65,33 84.361,39 3,40 37.801,41 1.366,42 3.634,43 3.416,44 25.145,45 1.809,47 0.408,48 1,49 1,50 1.359,51 37.85,53 2.691,55 1.31,56 189.94,57 0.451,58 0.451,59 4,60 169.709,62 3.596,63 31,64 3.219,65 3.219,66 24,67 4.523}
{0 CHEMBL2012830,5 0.718,6 5.429,9 4.856,10 1,11 2.584,12 1,14 2.269,15 1.31,16 1,17 1.554,19 1,20 1,21 4.856,22 1,23 1,24 0.108,25 0.092,26 1.087,27 0.226,28 0.226,29 3.732,30 4.818,31 3.793,33 86.895,39 2,40 39.177,41 1.397,42 3.694,43 3.619,44 25.145,45 1.841,47 0.433,48 1,49 1,50 1.36,51 39.026,53 2.779,55 1.563,56 213.483,57 0.48,58 0.48,59 4,60 181.067,62 3.736,63 33,64 3.258,65 3.258,66 25,67 4.523}
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{0 CHEMBL2012941,5 0.787,6 5.905,9 4.76,10 1,11 2.698,12 1,14 2.221,15 1.31,16 1,17 1.549,19 1,20 1,21 4.76,22 1,23 1,24 0.108,25 0.093,26 1.087,27 0.228,28 0.228,29 3.732,30 4.951,31 4.158,33 83.295,40 42.886,41 1.592,42 3.679,43 3.582,44 25.145,45 1.983,47 0.606,48 1,49 1,50 1.361,51 42.561,53 2.779,55 1.934,56 154.627,57 0.689,58 0.689,59 4,60 208.055,62 3.72,63 37,64 3.332,65 3.332,66 27,67 4.523}
{0 CHEMBL2012951,5 0.961,6 5.883,9 4.903,10 1,11 2.857,12 1,14 2.65,15 1.31,16 1,17 1.554,19 1,20 1,21 4.903,22 1,23 1,24 0.116,25 0.099,26 1.089,27 0.248,28 0.248,29 3.732,30 5.001,31 4.005,33 90.3,39 3,40 44.487,41 1.659,42 3.757,43 3.657,44 36.145,45 2.321,46 1,47 0.669,48 1,49 1,50 1.682,51 44.104,53 2.76,55 2.091,56 200.94,57 0.738,58 0.738,59 3,60 215.061,62 3.811,63 38,64 3.367,65 3.367,66 28,67 4.523}
{0 CHEMBL2012961,5 0.755,6 5.49,9 4.76,10 1,11 2.532,12 1,14 2.216,15 1.135,16 1,17 1.51,19 1,20 1,21 4.76,22 1,23 1,24 -0.327,25 -0.224,26 0.691,27 -0.641,28 -0.641,29 3.734,30 4.86,31 3.657,33 84.005,40 39.773,41 1.51,42 3.665,43 3.407,44 25.145,45 2.265,47 0.543,48 1,49 1,50 1.166,51 39.851,53 2.682,55 1.31,56 178.169,57 0.644,58 0.644,59 2,60 180.789,62 3.531,63 33,64 3.258,65 3.258,66 25,67 5.509}
{0 CHEMBL2012962,5 0.771,6 5.58,9 4.76,10 1,11 2.667,12 1,14 2.22,15 1.263,16 1,17 1.554,19 1,20 1,21 4.76,22 1,23 1,24 -0.101,25 -0.066,26 0.826,27 -0.212,28 -0.212,29 3.733,30 4.884,31 3.895,33 78.03,39 3,40 41.871,41 1.522,42 3.722,43 3.53,44 25.145,45 2.362,47 0.548,48 1,49 1,50 1.702,51 41.712,53 2.74,55 1.311,56 205.547,57 0.658,58 0.658,59 2,60 194.726,62 3.674,63 36,64 3.296,65 3.296,66 26,67 4.523}
{0 CHEMBL2012963,5 0.756,6 5.451,9 4.741,10 1,11 2.532,12 1,14 2.165,15 1.135,16 1,17 1.506,19 1,20 1,21 4.741,22 1,23 1,24 -0.327,25 -0.189,26 0.628,27 -0.641,28 -0.641,29 3.733,30 4.841,31 3.719,33 75.495,40 39.773,41 1.504,42 3.636,43 3.336,44 25.145,45 2.279,47 0.535,48 1,49 1,50 1.207,51 39.961,53 2.682,55 1.31,56 182.005,57 0.644,58 0.644,59 2,60 180.789,62 3.464,63 33,64 3.258,65 3.258,66 25,67 5.252}
{0 CHEMBL2012964,5 0.761,6 5.554,9 4.76,10 1,11 2.434,12 1,14 2.157,15 1.108,16 1,17 1.52,19 1,20 1,21 4.76,22 1,23 1,24 -0.353,25 -0.244,26 0.673,27 -0.727,28 -0.727,29 3.734,30 4.86,31 3.733,33 84.005,40 39.763,41 1.521,42 3.665,43 3.351,44 25.145,45 2.283,47 0.551,48 1,49 1,50 1.1,51 39.814,53 2.682,55 1.31,56 178.169,57 0.652,58 0.652,59 2,60 180.965,62 3.522,63 33,64 3.258,65 3.258,66 25,67 5.137}
{0 CHEMBL2012965,5 0.77,6 5.749,9 4.76,10 1,11 2.716,12 1,14 2.159,15 1.31,16 1,17 1.517,19 1,20 1,21 4.76,22 1,23 1,24 0.109,25 0.093,26 1.087,27 0.229,28 0.229,29 3.734,30 4.953,31 3.824,33 83.295,40 42.678,41 1.582,42 3.694,43 3.391,44 25.145,45 2.033,47 0.598,48 1,49 1,50 1.466,51 42.549,53 2.73,55 1.961,56 154.627,57 0.683,58 0.683,59 3,60 201.833,62 3.551,63 36,64 3.332,65 3.332,66 27,67 4.764}
{0 CHEMBL2012966,5 0.754,6 5.309,9 4.741,10 1,11 2.433,12 1,14 2.153,15 1.063,16 1,17 1.505,19 1,20 1,21 4.741,22 1,23 1,24 -0.395,25 -0.266,26 0.599,27 -0.69,28 -0.69,29 3.732,30 4.812,31 3.552,33 81.471,40 37.838,41 1.483,42 3.573,43 3.265,44 25.145,45 1.731,47 0.521,48 1,49 1,50 1.012,51 38.15,53 2.682,55 1.31,56 154.627,57 0.618,58 0.618,59 3,60 168.674,62 3.408,63 31,64 3.219,65 3.219,66 24,67 4.827}
{0 CHEMBL202431,1 1,2 9.036,3 1,4 1,5 1.371,6 6.512,9 5.003,11 3.093,12 2,14 2.753,15 2.247,17 1.592,18 1,19 2,20 2,21 5.003,22 2,23 2,24 1.066,25 0.641,26 1.639,27 1.743,28 1.743,29 3.68,30 5.295,31 4.142,33 126.572,35 1,36 1,37 2,40 50.399,41 2.104,42 3.879,43 3.702,44 103.973,45 2.592,47 1.101,50 2.339,51 49.9,52 1,53 2.913,54 1,55 2.304,56 198.142,57 1.115,58 1.115,59 6,60 262.194,61 1,62 3.8,63 46,64 3.497,65 3.497,66 32,67 8.699}
{0 CHEMBL202667,1 1,2 9.335,3 1,4 1,5 1.099,6 5.919,9 4.745,11 2.798,12 2,14 2.715,15 2.5,17 1.743,19 2,20 3,21 4.784,22 2,23 2,24 1.462,25 0.996,26 2,27 2.275,28 2.275,29 3.704,30 5.184,31 3.906,33 158.628,35 1,36 1,37 2,40 47.317,41 2.018,42 4.128,43 3.894,44 92.973,45 2.159,47 1.008,50 1.58,51 48.002,52 2,53 2.759,54 2,55 2.51,56 328.395,57 1,58 1,59 11,60 240.75,61 2,62 4.02,63 45,64 3.434,65 3.434,66 30,67 4.046}
{0 CHEMBL203836,1 1,2 9.203,3 1,4 1,5 1,6 5.681,9 4.619,11 2.551,12 2,14 2.715,15 1.109,17 1.677,19 2,20 3,21 4.721,22 2,23 2,24 -0.366,25 -0.275,26 0.725,27 -0.683,28 -0.683,29 3.637,30 5.038,31 3.709,33 138.443,35 1,36 1,37 2,40 40.126,41 2,42 3.851,43 3.591,44 92.973,45 1.85,47 1,50 1.374,51 40.782,52 2,53 2.687,54 1,55 2.5,56 234.226,57 1,58 1,59 12,60 191.9,61 2,62 3.737,63 37,64 3.296,65 3.296,66 26,67 5.553}
{0 CHEMBL205773,1 1,2 9.269,3 1,4 1,5 1.044,6 5.731,9 4.946,11 2.609,12 2,14 2.642,15 1.178,17 1.702,19 2,20 3,21 4.993,22 2,23 2,24 -0.189,25 -0.15,26 0.85,27 -0.333,28 -0.333,29 3.662,30 5.076,31 3.803,33 140.977,35 1,36 1,37 2,40 42.278,41 2.003,42 3.922,43 3.768,44 92.973,45 2.121,47 1,50 1.58,51 42.457,52 2,53 2.704,54 2,55 2.5,56 257.769,57 1,58 1,59 11,60 205.933,61 2,62 3.835,63 39,64 3.332,65 3.332,66 27,67 5.398}
{0 CHEMBL2172226,5 0.51,6 5.425,7 1,8 1,9 4.453,10 1,11 2.5,14 2.328,15 0.741,16 3,17 1.336,20 1,21 4.453,24 -0.751,25 -0.58,26 0.368,27 -1.531,28 -1.531,29 3.316,30 4.875,31 3.335,32 1,33 94.374,39 3,40 35.51,41 0.987,42 3.545,43 3.248,45 1.82,47 0.037,48 2,49 2,50 1,51 34.77,53 2.508,55 0.97,56 117.711,57 0.039,58 0.039,59 4,60 162.062,62 3.327,63 31,64 3.178,65 3.178,66 23,67 4}
{0 CHEMBL2172233,5 0.686,6 5.182,7 1,8 1,9 4.771,11 2.598,14 2.405,15 1.01,16 2,17 1.439,20 2,21 4.889,24 -0.543,25 -0.382,26 0.536,27 -1.029,28 -1.029,29 3.397,30 4.822,31 3.324,33 100.195,34 2,39 3,40 36.565,41 1.633,42 3.644,43 3.326,45 1.618,47 0.645,48 3,49 3,50 1.146,51 36.069,53 2.531,55 1.358,56 129.482,57 0.668,58 0.668,59 7,60 169.573,62 3.405,63 32,64 3.219,65 3.219,66 24,67 4}
{0 CHEMBL2172234,5 0.686,6 5.203,7 1,8 1,9 4.822,10 1,11 2.598,14 2.371,15 1.01,16 1,17 1.449,20 2,21 4.936,24 -0.543,25 -0.385,26 0.542,27 -1.029,28 -1.029,29 3.407,30 4.809,31 3.332,33 117.862,34 1,38 1,39 3,40 36.565,41 1.663,42 3.683,43 3.363,45 1.618,46 1,47 0.664,48 2,49 2,50 1.146,51 36.069,53 2.548,55 1.358,56 153.024,57 0.668,58 0.668,59 7,60 169.573,62 3.455,63 32,64 3.219,65 3.219,66 24,67 4}
{0 CHEMBL2172236,5 0.686,6 5.2,7 1,8 1,9 4.822,10 1,11 2.598,14 2.435,15 1.01,16 3,17 1.441,20 2,21 4.936,24 -0.543,25 -0.385,26 0.543,27 -1.029,28 -1.029,29 3.401,30 4.806,31 3.32,32 1,33 117.004,39 3,40 36.565,41 1.637,42 3.689,43 3.38,45 1.618,47 0.648,48 2,49 2,50 1.146,51 36.069,53 2.541,55 1.358,56 153.024,57 0.668,58 0.668,59 7,60 169.573,62 3.458,63 32,64 3.219,65 3.219,66 24,67 4}
{0 CHEMBL2172237,5 0.911,6 5.683,8 1,9 4.514,10 1,11 2.59,12 1,13 1,14 2.337,15 0.92,16 4,17 1.263,19 1,20 1,21 4.514,22 1,23 1,24 -0.578,25 -0.438,26 0.499,27 -1.123,28 -1.123,29 3.238,30 4.993,31 3.495,32 1,33 90.032,34 1,38 1,39 3,40 39.133,41 1.668,42 3.596,43 3.255,44 25.145,45 2.121,46 1,47 0.677,48 3,49 3,50 1.155,51 38.669,53 2.687,55 1.218,56 131.085,57 0.71,58 0.71,59 4,60 183.058,62 3.347,63 35,64 3.258,65 3.258,66 25,67 4}
{0 CHEMBL2172238,5 0.338,6 5.34,8 1,9 4.482,10 1,11 2.5,12 1,13 1,14 2.271,15 0.746,16 4,17 1.222,19 1,20 1,21 4.482,22 1,23 1,24 -1.051,25 -0.753,26 0.28,27 -1.611,28 -1.611,29 3.235,30 4.776,31 3.276,32 1,33 88.563,34 1,38 1,39 3,40 31.95,41 0.769,42 3.424,43 3.13,44 25.145,45 1.323,46 1,47 -0.185,48 3,49 3,50 1,51 32.417,53 2.459,55 0.846,56 142.856,57 -0.194,58 -0.194,59 5,60 140.543,62 3.208,63 27,64 3.091,65 3.091,66 21,67 4}
{0 CHEMBL2177115,5 1,6 5.394,7 1,9 4.631,11 2.5,12 1,14 2.715,15 1.304,16 1,17 1.471,19 1,20 2,21 4.631,22 1,23 1,24 -0.054,25 -0.039,26 0.905,27 -0.094,28 -0.094,29 3.687,30 4.953,31 3.749,32 1,33 119.954,39 3,40 40.551,41 1.842,42 3.767,43 3.5,44 36.145,45 2.019,47 0.821,48 1,49 1,50 1.461,51 40.124,53 2.747,55 1.487,56 240.089,57 0.965,58 0.965,59 8,60 187.288,62 3.617,63 35,64 3.296,65 3.296,66 26,67 5.896}
{0 CHEMBL2177491,5 0.294,6 5.108,9 4.582,11 2.375,12 2,14 2.221,15 0.5,17 1.447,19 3,20 1,21 4.582,22 1,23 1,24 -1.469,25 -0.97,27 -2.347,28 -2.347,29 3.386,30 4.746,31 3.043,33 113.673,40 27.481,41 0.684,42 3.312,43 2.892,44 25.145,45 1.003,47 -0.282,48 1,49 1,50 1,51 28.224,53 2.614,55 0.505,56 142.856,57 -0.297,58 -0.297,59 4,60 113.762,62 2.983,63 21,64 2.996,65 2.996,66 19,67 4.886}
{0 CHEMBL2177492,1 1,2 8.868,3 1,4 1,5 0.768,6 5.208,9 4.735,11 2.545,12 2,14 2.557,15 0.939,17 1.451,19 2,20 3,21 4.852,22 1,23 1,24 -0.851,25 -0.57,26 0.411,27 -1.345,28 -1.345,29 3.398,30 4.868,31 3.173,33 128.47,35 1,36 1,37 2,40 34.792,41 1.513,42 3.669,43 3.211,44 67.828,45 1.618,47 0.525,50 1.233,51 35.243,52 3,53 2.687,54 2,55 1.15,56 209.081,57 0.543,58 0.543,59 11,60 155.68,61 2,62 3.308,63 31,64 3.178,65 3.178,66 23,67 4.806}
{0 CHEMBL2177493,2 9.449,3 1,4 1,5 0.173,6 5.38,9 4.482,11 1.675,12 1,14 2.084,15 0.627,17 1.176,19 1,20 2,21 4.482,22 1,23 1,24 -1.216,25 -0.814,26 0.165,27 -2.015,28 -2.015,29 3.106,30 4.768,31 3.298,33 86.516,40 31.551,41 0.522,42 3.569,43 3.121,44 67.828,45 1.511,47 -0.229,50 1.309,51 31.676,53 2.65,55 0.936,56 252.065,57 -0.347,58 -0.347,59 6,60 133.203,62 3.187,63 29,64 3.045,65 3.045,66 20,67 4.794}
{0 CHEMBL2177494,2 19.043,3 2,4 2,5 -0.203,6 5.112,9 4.756,11 1.453,12 1,14 2.278,15 0.21,17 1.272,19 1,20 2,21 4.756,24 -1.232,25 -1,27 -2.499,28 -2.499,29 3.184,30 4.79,31 2.985,33 95.869,40 29.211,41 0.565,42 3.517,43 3.131,44 85.367,45 1.557,47 -0.39,50 0.637,51 28.638,53 2.552,55 0.684,56 238.391,57 -0.405,58 -0.405,59 6,60 121.225,62 3.145,63 26,64 2.996,65 2.996,66 19,67 4.751}
{0 CHEMBL2177495,5 -0.04,6 4.854,7 1,9 4.533,11 2.421,14 2.149,15 0.753,16 1,17 1.346,20 2,21 4.681,24 -0.94,25 -0.641,26 0.299,27 -1.732,28 -1.732,29 3.294,30 4.656,31 3.11,33 95.241,34 2,40 31.775,41 0.673,42 3.485,43 2.909,44 11,45 1.476,46 2,47 -0.226,48 2,49 2,50 1.113,51 31.876,53 2.406,55 1.045,56 105.169,57 -0.247,58 -0.247,59 8,60 141.962,62 3.079,63 30,64 3.091,65 3.091,66 21,67 4.738}
{0 CHEMBL2177853,2 9.787,3 1,4 1,5 0.543,6 5.011,8 1,9 4.478,10 1,11 2.201,13 1,14 2.241,15 0.752,16 4,17 1.304,20 1,21 4.478,24 -0.657,25 -0.521,26 0.403,27 -1.322,28 -1.322,29 3.376,30 4.77,31 3.557,32 1,33 114.037,34 1,38 1,39 3,40 33.957,41 0.707,42 3.538,43 3.039,44 42.683,45 2.161,46 1,47 -0.085,48 3,49 3,50 1,51 35.998,53 2.687,55 1.034,56 160.394,57 -0.135,58 -0.135,59 4,60 147.316,62 3.143,63 28,64 3.135,65 3.135,66 22,67 4.495}
{0 CHEMBL2177854,2 9.806,3 1,4 1,5 0.955,6 5.173,8 1,9 4.572,10 1,11 2.201,13 1,14 2.418,15 0.824,16 4,17 1.318,20 1,21 4.572,24 -0.556,25 -0.407,26 0.449,27 -0.974,28 -0.974,29 3.365,30 4.884,31 3.448,32 1,33 81.155,34 1,38 1,39 3,40 35.243,41 1.248,42 3.576,43 3.096,44 53.683,45 2.165,46 1,47 0.34,48 3,49 3,50 1.104,51 37.222,53 2.687,55 1.118,56 206.708,57 0.412,58 0.412,59 4,60 156.414,62 3.263,63 30,64 3.178,65 3.178,66 23,67 4.201}
{0 CHEMBL2177855,2 9.789,3 1,4 1,5 1,6 5.557,8 1,9 4.779,10 1,11 2.609,12 2,13 1,14 2.356,15 1,16 5,17 1.303,20 1,21 4.779,22 2,24 -0.556,25 -0.398,26 0.485,27 -1.086,28 -1.086,29 3.363,30 4.975,31 3.697,32 1,33 67.785,34 1,38 3,39 3,40 37.571,41 1.441,42 3.591,43 3.077,44 93.43,45 2.283,46 1,47 0.488,48 3,49 3,50 1.409,51 40.035,53 2.67,55 1.135,56 211.141,57 0.586,58 0.586,59 4,60 170.271,62 3.311,63 33,64 3.219,65 3.219,66 24,67 5.022}
{0 CHEMBL2177856,2 9.797,3 1,4 1,5 0.757,6 5.115,8 1,9 4.736,10 1,11 2.201,13 1,14 2.236,15 0.76,16 4,17 1.303,20 1,21 4.736,24 -0.655,25 -0.408,26 0.403,27 -1.319,28 -1.319,29 3.372,30 4.819,31 3.682,32 1,33 62.553,34 1,38 1,39 3,40 36.077,41 0.842,42 3.602,43 3.062,44 42.683,45 2.189,46 1,47 0.058,48 3,49 3,50 1.943,51 38.442,53 2.899,55 1.099,56 226.921,57 0.094,58 0.094,59 3,60 158.687,62 3.203,63 31,64 3.178,65 3.178,66 23,67 5.187}
{0 CHEMBL2177857,2 9.808,3 1,4 1,5 0.948,6 5.083,8 1,9 4.478,10 1,11 2.202,13 1,14 2.244,15 1,16 4,17 1.302,20 1,21 4.478,24 -0.445,25 -0.269,26 0.473,27 -0.839,28 -0.839,29 3.362,30 4.819,31 3.547,32 1,33 62.553,34 1,38 1,39 3,40 36.274,41 0.773,42 3.616,43 3.075,44 42.683,45 2.306,46 1,47 -0.015,48 3,49 3,50 1.409,51 38.432,53 2.918,55 1.032,56 226.921,57 -0.022,58 -0.022,59 3,60 160.665,62 3.188,63 32,64 3.178,65 3.178,66 23,67 4.745}
{0 CHEMBL2177858,2 9.804,3 1,4 1,5 0.871,6 5.188,8 1,9 4.736,10 1,11 2.2,13 1,14 2.232,15 0.753,16 4,17 1.302,20 1,21 4.736,24 -0.655,25 -0.432,26 0.403,27 -1.319,28 -1.319,29 3.366,30 4.819,31 3.875,32 1,33 62.553,34 1,38 1,39 3,40 36.093,41 0.843,42 3.6,43 3.055,44 42.683,45 2.307,46 1,47 0.058,48 3,49 3,50 1.562,51 38.434,53 2.836,55 1.102,56 226.921,57 0.095,58 0.095,59 3,60 159.708,62 3.239,63 31,64 3.178,65 3.178,66 23,67 7.292}
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{0 CHEMBL2177862,5 0.395,6 5.002,8 1,9 4.476,10 1,11 2.199,13 1,14 2.247,15 0.75,16 4,17 1.303,20 1,21 4.476,24 -0.697,25 -0.532,26 0.379,27 -1.345,28 -1.345,29 3.363,30 4.748,31 3.345,32 1,33 76.832,34 1,38 1,39 3,40 31.771,41 0.654,42 3.478,43 2.98,45 1.977,46 1,47 -0.24,48 3,49 3,50 1,51 34.119,53 2.67,55 0.778,56 129.482,57 -0.264,58 -0.264,59 5,60 137.314,62 3.143,63 26,64 3.091,65 3.091,66 21,67 4}
{0 CHEMBL2178104,5 1,6 5.322,9 4.729,11 2.5,12 2,14 2.55,15 1.259,17 1.345,19 2,20 2,21 4.901,22 1,23 1,24 -0.084,25 -0.063,26 0.93,27 -0.134,28 -0.134,29 3.655,30 4.889,31 3.48,32 1,33 126.221,40 35.404,41 1.595,42 3.595,43 3.152,44 25.145,45 1.68,46 1,47 0.55,48 1,49 1,50 1.247,51 36.437,53 2.687,55 2.168,56 166.398,57 0.672,58 0.672,59 9,60 160.417,62 3.303,63 29,64 3.219,65 3.219,66 24,67 6.959}
{0 CHEMBL2178105,5 0.413,6 5.303,9 4.801,11 2.601,12 1,14 2.379,15 0.794,17 1.381,19 1,20 2,21 4.801,22 1,23 1,24 -0.911,25 -0.4,26 0.332,27 -1.6,28 -1.6,29 3.35,30 4.776,31 3.8,32 1,33 90.276,40 36.951,41 1.241,42 3.655,43 3.253,44 25.145,45 1.546,47 0.304,48 1,49 1,50 1.395,51 36.859,53 2.951,55 1.077,56 236.76,57 0.347,58 0.347,59 8,60 170.674,62 3.346,63 32,64 3.219,65 3.219,66 24,67 6.469}
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{0 CHEMBL2178107,2 18.991,3 2,4 2,5 0.297,6 5.145,9 4.923,11 2.587,12 1,14 2.46,15 0.882,17 1.448,19 1,20 3,21 5.044,24 -0.665,25 -0.461,26 0.398,27 -1.243,28 -1.243,29 3.395,30 4.855,31 3.126,33 114.898,40 33.321,41 0.974,42 3.63,43 3.188,44 85.367,45 1.618,47 0.023,50 1.226,51 32.826,53 2.562,55 1.036,56 214.849,57 0.024,58 0.024,59 10,60 148.133,62 3.261,63 30,64 3.135,65 3.135,66 22,67 6.108}
{0 CHEMBL2178108,5 0.16,6 5.122,7 1,9 4.494,11 1.531,12 1,14 2.163,15 0.384,17 1.333,19 1,20 1,21 4.494,22 1,23 1,24 -1.326,25 -1.086,26 0.094,27 -2.015,28 -2.015,29 3.178,30 4.665,31 3.257,32 1,33 74.097,39 6,40 30.306,41 0.283,42 3.494,43 3.039,44 25.145,45 1.868,47 -0.563,48 1,49 1,50 0.629,51 29.74,53 2.523,55 0.621,56 205.547,57 -0.636,58 -0.636,59 3,60 122.808,62 3.143,63 25,64 2.996,65 2.996,66 19,67 6.032}
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{0 CHEMBL2178110,1 1,2 9.133,3 1,4 1,5 1.202,6 5.926,9 5.17,11 2.955,12 4,14 2.715,15 2.447,16 1,17 1.682,19 5,20 2,21 5.17,22 2,23 2,24 1.381,25 0.993,26 1.995,27 2.136,28 2.136,29 3.72,30 5.167,31 3.922,33 154.123,35 1,36 1,37 2,38 1,39 3,40 48.514,41 2.006,42 3.911,43 3.747,44 102.481,45 2.372,46 1,47 1,50 1.721,51 49.082,53 2.875,54 1,55 2.5,56 279.047,57 1,58 1,59 9,60 244.294,61 2,62 3.846,63 43,64 3.466,65 3.466,66 31,67 5.562}
{0 CHEMBL2178111,2 9.208,3 1,4 1,5 0.214,6 4.911,9 4.563,11 2.464,12 1,14 2.399,15 0.882,17 1.493,19 1,20 3,21 4.688,24 -0.927,25 -0.618,26 0.382,27 -1.598,28 -1.598,29 3.447,30 4.749,31 2.992,33 124.374,40 31.133,41 0.856,42 3.565,43 3.05,44 42.683,45 1.446,47 -0.09,50 1,51 31.119,53 2.657,55 1.008,56 183.937,57 -0.096,58 -0.096,59 11,60 134.125,62 3.137,63 26,64 3.091,65 3.091,66 21,67 5.402}
{0 CHEMBL2178112,1 1,2 18.31,3 2,4 2,5 0.499,6 5.486,9 4.75,11 2.5,12 3,14 2.383,15 0.687,17 1.43,19 4,20 2,21 4.75,22 2,23 2,24 -1.019,25 -0.778,26 0.234,27 -2,28 -2,29 3.379,30 4.933,31 3.335,33 104.387,35 1,36 1,37 1,40 34.162,41 0.866,42 3.607,43 3.144,44 135.657,45 1.969,47 -0.072,50 1,51 34.411,52 2,53 2.687,54 2,55 1.114,56 280.745,57 -0.082,58 -0.082,59 7,60 147.941,61 2,62 3.254,63 30,64 3.135,65 3.135,66 22,67 5.218}
{0 CHEMBL2178511,5 0.756,6 5.115,8 1,9 4.726,10 1,11 2.201,13 1,14 2.262,15 0.76,16 4,17 1.304,20 1,21 4.726,24 -0.655,25 -0.41,26 0.416,27 -1.319,28 -1.319,29 3.375,30 4.808,31 3.679,32 1,33 64.881,34 1,38 1,39 3,40 36.077,41 0.843,42 3.618,43 3.088,45 2.169,46 1,47 0.058,48 3,49 3,50 1.922,51 38.411,53 2.947,55 1.099,56 184.237,57 0.094,58 0.094,59 3,60 158.687,62 3.244,63 31,64 3.178,65 3.178,66 23,67 4}
{0 CHEMBL2178512,5 1.079,6 5.423,7 1,8 1,9 4.764,10 1,11 2.906,13 1,14 2.715,15 1.796,16 4,17 1.779,20 2,21 4.897,24 0.686,25 0.481,26 1.435,27 1.377,28 1.377,29 3.799,30 5.005,31 3.795,32 1,33 129.505,34 1,38 1,39 3,40 42.929,41 2,42 3.842,43 3.671,45 2.232,46 1,47 1,48 3,49 3,50 1.597,51 45.609,53 2.776,55 2.304,56 211.88,57 1,58 1,59 10,60 214.106,62 3.675,63 36,64 3.401,65 3.401,66 29,67 4}
{0 CHEMBL2178513,2 9.781,3 1,4 1,5 0.398,6 5.095,8 1,9 4.736,10 1,11 2.199,13 1,14 2.221,15 0.753,16 4,17 1.302,20 1,21 4.736,24 -0.655,25 -0.512,26 0.402,27 -1.319,28 -1.319,29 3.365,30 4.789,31 3.607,32 1,33 68.529,34 1,38 1,39 3,40 33.947,41 0.644,42 3.523,43 2.994,44 42.683,45 2.141,46 1,47 -0.232,48 3,49 3,50 1.231,51 36.148,53 2.669,55 0.939,56 199.543,57 -0.262,58 -0.262,59 4,60 147.867,62 3.169,63 28,64 3.135,65 3.135,66 22,67 4.538}
{0 CHEMBL2178514,2 9.792,3 1,4 1,5 0.428,6 5.074,8 1,9 4.514,10 1,11 2.201,13 1,14 2.319,15 0.752,16 4,17 1.349,20 1,21 4.514,24 -0.657,25 -0.521,26 0.403,27 -1.322,28 -1.322,29 3.383,30 4.809,31 3.391,32 1,33 77.039,34 1,38 1,39 3,40 33.957,41 0.803,42 3.562,43 3.053,44 42.683,45 2.132,46 1,47 -0.125,48 3,49 3,50 1,51 35.783,53 2.687,55 1.034,56 195.708,57 -0.135,58 -0.135,59 4,60 147.316,62 3.182,63 28,64 3.135,65 3.135,66 22,67 4.337}
{0 CHEMBL217893,5 0.559,6 5.764,9 4.478,11 2.612,12 3,14 2.278,15 1,16 1,17 1.259,19 1,20 2,21 4.478,22 3,23 1,24 -0.672,25 -0.34,26 0.341,27 -1.345,28 -1.345,29 3.167,30 4.889,31 3.542,33 89.273,38 2,40 34.902,41 0.751,42 3.625,43 3.219,44 75.892,45 2.249,47 -0.229,50 1.51,51 35.183,53 2.897,55 1,56 260.129,57 -0.26,58 -0.26,59 6,60 154.269,62 3.357,63 32,64 3.135,65 3.135,66 22,67 4.191}
{0 CHEMBL217894,5 0.926,6 6.044,9 4.501,11 2.127,12 4,14 2.781,15 0.971,17 1.582,19 6,21 4.803,22 2,23 2,24 -0.114,25 -0.109,26 0.894,27 -0.195,28 -0.195,29 3.491,30 4.973,31 3.607,33 89.352,40 35.295,41 1.319,42 3.866,43 3.672,44 72.29,45 1.905,46 3,47 0.315,50 1.418,51 34.703,53 2.916,55 1.379,56 425.423,57 0.316,58 0.316,60 158.695,62 3.819,63 35,64 3.178,65 3.178,66 23,67 4.854}
{0 CHEMBL217897,1 1,2 9.882,3 1,4 1,5 1,6 5.685,9 4.866,11 2.5,12 3,14 2.715,15 1.401,16 1,17 1.614,19 4,20 2,21 5.056,22 1,23 1,24 0.107,25 0.083,26 1.063,27 0.187,28 0.187,29 3.553,30 5.085,31 3.706,33 141.693,40 38.788,41 1.865,42 3.762,43 3.721,44 89.828,45 1.815,47 0.854,50 1.452,51 38.71,53 2.818,55 2.065,56 325.25,57 0.914,58 0.914,59 9,60 187.503,62 3.749,63 35,64 3.296,65 3.296,66 26,67 4.893}
{0 CHEMBL217918,1 1,2 19.856,3 2,4 2,5 0.647,6 5.824,9 4.712,11 2.5,12 1,14 2.523,15 1.04,17 1.487,18 1,19 1,20 2,21 4.712,22 1,23 1,24 -0.388,25 -0.223,26 0.565,27 -0.691,28 -0.691,29 3.437,30 4.943,31 3.783,33 96.6,34 1,35 1,36 1,37 1,40 38.449,41 1.056,42 3.786,43 3.541,44 110.512,45 2.177,47 0.11,48 1,49 1,50 1.046,51 37.641,53 2.687,54 1,55 1.331,56 267.371,57 0.125,58 0.125,59 7,60 180.834,61 1,62 3.657,63 38,64 3.219,65 3.219,66 24,67 6.664}
{0 CHEMBL217919,1 1,2 19.923,3 2,4 2,5 0.703,6 5.925,9 4.712,11 2.5,12 1,14 2.501,15 0.948,17 1.45,18 1,19 1,20 2,21 4.712,22 1,23 1,24 -0.534,25 -0.382,26 0.542,27 -1.011,28 -1.011,29 3.4,30 4.944,31 3.834,33 96.6,34 1,35 1,36 1,37 1,40 38.658,41 1.135,42 3.798,43 3.521,44 110.512,45 2.069,47 0.183,48 1,49 1,50 1.231,51 37.734,53 2.687,54 1,55 1.255,56 267.371,57 0.204,58 0.204,59 7,60 182.083,61 1,62 3.704,63 39,64 3.219,65 3.219,66 24,67 4.292}
{0 CHEMBL217951,5 0.679,6 5.406,9 4.822,11 2.704,12 1,14 2.436,15 0.882,17 1.504,19 1,20 3,21 4.936,22 1,23 1,24 -0.624,25 -0.452,26 0.425,27 -1.242,28 -1.242,29 3.457,30 4.78,31 3.585,33 171.575,40 35.347,41 1.195,42 3.747,43 3.302,44 25.145,45 1.653,47 0.211,50 1.379,51 35.662,53 2.889,55 1.031,56 178.169,57 0.253,58 0.253,59 10,60 159.101,62 3.426,63 32,64 3.178,65 3.178,66 23,67 4.293}
{0 CHEMBL217959,1 1,2 19.813,3 2,4 2,5 0.714,6 5.842,9 4.712,11 2.5,12 1,14 2.551,15 1.003,17 1.496,18 1,19 1,20 2,21 4.712,22 1,23 1,24 -0.487,25 -0.344,26 0.575,27 -0.983,28 -0.983,29 3.446,30 4.943,31 3.759,33 96.6,34 1,35 1,36 1,37 1,40 38.5,41 1.128,42 3.786,43 3.52,44 110.512,45 2.117,47 0.172,48 1,49 1,50 1.037,51 37.725,53 2.767,54 1,55 1.242,56 267.371,57 0.19,58 0.19,59 7,60 180.842,61 1,62 3.637,63 38,64 3.219,65 3.219,66 24,67 4.77}
{0 CHEMBL218051,1 1,2 20.007,3 2,4 2,5 0.673,6 5.866,9 4.712,11 2.594,12 1,14 2.49,15 1.051,17 1.472,18 1,19 1,20 2,21 4.712,22 1,23 1,24 -0.37,25 -0.192,26 0.556,27 -0.672,28 -0.672,29 3.446,30 4.953,31 4.198,33 136.133,34 1,35 1,36 1,37 1,40 40.644,41 1.139,42 3.851,43 3.66,44 110.512,45 2.331,47 0.191,48 1,49 1,50 1.429,51 39.596,53 2.899,54 1,55 1.363,56 255.6,57 0.237,58 0.237,59 6,60 194.535,61 1,62 3.774,63 41,64 3.258,65 3.258,66 25,67 4.387}
{0 CHEMBL218052,1 1,2 19.795,3 2,4 2,5 1,6 6.166,9 4.765,11 2.964,12 1,14 2.657,15 1.348,17 1.444,18 1,19 1,20 2,21 4.765,22 1,23 1,26 0.935,29 3.393,30 5.142,31 4.04,33 99.65,34 1,35 1,36 1,37 1,40 44.49,41 1.866,42 3.822,43 3.653,44 121.512,45 2.396,47 0.856,48 1,49 1,50 1.671,51 43.209,53 2.785,54 1,55 1.49,56 243.058,57 0.909,58 0.909,59 7,60 225.448,61 1,62 3.769,63 43,64 3.367,65 3.367,66 28,67 5.398}
{0 CHEMBL218062,1 1,2 29.499,3 3,4 3,5 1,6 5.999,9 5.011,11 2.908,12 1,14 2.715,15 2.309,17 1.726,18 1,19 1,20 3,21 5.011,22 1,23 1,24 1.201,25 0.803,26 1.804,27 2.179,28 2.179,29 3.688,30 5.167,31 3.9,33 134.841,34 1,35 1,36 1,37 1,40 47.25,41 2,42 3.998,43 3.72,44 153.195,45 2.231,47 1,48 1,49 1,50 1.445,51 46.451,52 2,53 2.785,54 1,55 2.5,56 294.448,57 1,58 1,59 12,60 239.727,61 1,62 3.883,63 47,64 3.434,65 3.434,66 30,67 8.222}
{0 CHEMBL218084,1 1,2 20.013,3 2,4 2,5 1.036,6 6.061,9 5.011,11 2.975,12 1,14 2.715,15 2.368,17 1.795,18 1,19 1,20 3,21 5.011,22 1,23 1,24 1.291,25 0.865,26 1.869,27 2.136,28 2.136,29 3.76,30 5.202,31 4.003,33 148.078,34 1,35 1,36 1,37 1,40 48.074,41 2,42 3.958,43 3.791,44 121.512,45 2.357,47 1,48 1,49 1,50 1.674,51 47.882,53 2.821,55 2.5,56 262.765,57 1,58 1,59 12,60 249.223,61 1,62 3.894,63 47,64 3.466,65 3.466,66 31,67 8.222}
{0 CHEMBL218085,1 1,2 20.056,3 2,4 2,5 1.114,6 6.05,9 5.011,11 2.975,12 1,14 2.715,15 2.368,17 1.795,18 1,19 1,20 3,21 5.011,22 1,23 1,24 1.291,25 0.863,26 1.867,27 2.136,28 2.136,29 3.76,30 5.171,31 4.03,33 140.692,34 1,35 1,36 1,37 1,40 48.074,41 2,42 4.003,43 3.81,44 110.512,45 2.498,47 1,48 1,49 1,50 1.761,51 49.879,53 2.832,54 1,55 2.5,56 251.765,57 1,58 1,59 12,60 249.223,61 1,62 3.906,63 47,64 3.466,65 3.466,66 31,67 7.745}
{0 CHEMBL218169,1 1,2 20.076,3 2,4 2,5 1,6 5.969,9 5.011,11 2.892,12 1,14 2.715,15 2.325,17 1.795,18 1,19 1,20 3,21 5.011,22 1,23 1,24 1.226,25 0.825,26 1.827,27 2.136,28 2.136,29 3.76,30 5.146,31 3.913,33 148.433,34 1,35 1,36 1,37 1,40 46.174,41 2,42 3.939,43 3.764,44 121.512,45 2.165,47 1,48 1,49 1,50 1.499,51 46.058,53 2.785,55 2.5,56 274.536,57 1,58 1,59 13,60 236.322,61 1,62 3.872,63 45,64 3.434,65 3.434,66 30,67 8.155}
{0 CHEMBL218249,1 1,2 9.588,3 1,4 1,5 1,6 6.057,9 4.964,11 2.974,12 1,14 2.715,15 2.344,17 1.727,18 1,19 1,20 3,21 4.964,22 1,23 1,24 1.255,25 0.835,26 1.836,27 2.136,28 2.136,29 3.69,30 5.144,31 3.963,33 146.719,34 1,35 1,36 1,37 1,40 47.015,41 2,42 3.998,43 3.756,44 67.828,45 2.16,47 1,48 1,49 1,50 1.601,51 46.692,52 2,53 2.814,54 1,55 2.5,56 209.081,57 1,58 1,59 12,60 241.107,61 1,62 3.921,63 47,64 3.434,65 3.434,66 30,67 7.921}
{0 CHEMBL218464,1 1,2 19.611,3 2,4 2,5 0.647,6 5.896,9 4.696,11 2.5,12 1,14 2.477,15 1.04,17 1.428,18 1,19 1,20 2,21 4.696,22 1,23 1,24 -0.388,25 -0.216,26 0.543,27 -0.691,28 -0.691,29 3.383,30 4.971,31 3.813,33 93.71,34 1,35 1,36 1,37 1,40 38.449,41 1.035,42 3.728,43 3.441,44 110.512,45 2.207,47 0.107,48 1,49 1,50 1.058,51 37.843,53 2.687,54 1,55 1.331,56 232.058,57 0.125,58 0.125,59 7,60 180.834,61 1,62 3.583,63 38,64 3.219,65 3.219,66 24,67 6.506}
{0 CHEMBL218467,1 1,2 9.931,3 1,4 1,5 1.372,6 5.65,9 5.058,11 2.699,12 3,14 2.719,15 1.874,16 1,17 1.629,19 4,20 2,21 5.192,22 1,23 1,24 0.597,25 0.386,26 1.352,27 1.004,28 1.004,29 3.547,30 5.082,31 3.755,33 123.007,40 43.252,41 1.867,42 3.865,43 3.698,44 89.828,45 1.858,47 0.856,50 1.743,51 42.731,53 2.92,55 2.066,56 301.708,57 0.914,58 0.914,59 7,60 212.314,62 3.731,63 40,64 3.367,65 3.367,66 28,67 4.529}
{0 CHEMBL218583,1 1,2 20.397,3 2,4 2,5 1.002,6 6.021,9 4.967,11 2.977,12 1,14 2.715,15 2.368,17 1.782,18 1,19 1,20 3,21 4.967,22 1,23 1,24 1.287,25 0.852,26 1.861,27 2.136,28 2.136,29 3.752,30 5.114,31 4.078,33 138.342,34 1,35 1,36 1,37 1,40 47.262,41 2,42 4.013,43 3.97,44 110.512,45 2.179,47 1,48 1,49 1,50 1.553,51 46.818,53 2.872,54 2,55 2.5,56 290.913,57 1,58 1,59 12,60 248.743,61 1,62 4.006,63 48,64 3.434,65 3.434,66 30,67 4.585}
{0 CHEMBL218700,1 1,2 19.825,3 2,4 2,5 0.647,6 5.8,9 4.696,11 2.5,12 1,14 2.485,15 1.04,17 1.437,18 1,19 1,20 2,21 4.696,22 1,23 1,24 -0.388,25 -0.193,26 0.519,27 -0.691,28 -0.691,29 3.425,30 4.909,31 4.116,33 133.598,34 1,35 1,36 1,37 1,40 38.449,41 1.021,42 3.766,43 3.504,44 110.512,45 2.207,47 0.098,48 1,49 1,50 1.058,51 37.827,53 2.739,54 1,55 1.331,56 232.058,57 0.125,58 0.125,59 7,60 180.834,61 1,62 3.631,63 38,64 3.219,65 3.219,66 24,67 6.676}
{0 CHEMBL218703,1 1,2 9.676,3 1,4 1,5 1.146,6 5.654,9 5.152,11 2.713,12 2,14 2.717,15 1.547,17 1.61,19 3,20 2,21 5.152,24 0.309,25 0.241,26 1.222,27 0.397,28 0.397,29 3.536,30 5.065,31 3.666,33 132.728,40 42.147,41 1.827,42 3.877,43 3.669,44 53.683,45 2.178,47 0.827,50 1.458,51 43.237,53 2.854,55 2.173,56 265.563,57 0.888,58 0.888,59 7,60 204.628,62 3.829,63 41,64 3.332,65 3.332,66 27,67 4.219}
{0 CHEMBL219174,1 1,2 19.944,3 2,4 2,5 1,6 6.119,9 4.765,11 2.863,12 1,14 2.715,15 1.4,17 1.526,18 1,19 1,20 2,21 4.765,22 1,23 1,24 0.113,25 0.085,26 1.033,27 0.241,28 0.241,29 3.477,30 5.145,31 3.916,33 106.579,34 1,35 1,36 1,37 1,40 45.808,41 1.975,42 3.952,43 3.719,44 110.512,45 2.192,47 0.965,48 1,49 1,50 1.744,51 43.853,53 2.849,55 1.601,56 251.765,57 1,58 1,59 6,60 229.545,61 1,62 3.839,63 48,64 3.367,65 3.367,66 28,67 4.495}
{0 CHEMBL219376,1 1,2 19.615,3 2,4 2,5 0.603,6 5.776,9 4.696,11 2.5,12 1,14 2.45,15 0.677,17 1.434,18 1,19 1,20 2,21 4.696,22 1,23 1,24 -1.118,25 -0.781,26 0.203,27 -1.814,28 -1.814,29 3.379,30 4.873,31 3.629,33 100.041,34 1,35 1,36 1,37 1,40 34.395,41 0.953,42 3.651,43 3.352,44 110.512,45 1.44,47 0.014,48 1,49 1,50 1,51 34.16,53 2.687,55 1.163,56 216.452,57 0.015,58 0.015,59 9,60 158.12,61 1,62 3.529,63 34,64 3.135,65 3.135,66 22,67 4.921}
{0 CHEMBL219489,1 1,2 28.862,3 3,4 3,5 0.638,6 5.914,9 4.75,11 2.5,12 1,14 2.473,15 1.04,17 1.428,18 1,19 1,20 2,21 4.75,22 1,23 1,24 -0.388,25 -0.275,26 0.615,27 -0.691,28 -0.691,29 3.378,30 5.033,31 3.778,33 90.21,34 1,35 1,36 1,37 1,40 38.449,41 1.056,42 3.718,43 3.428,44 153.195,45 2.177,47 0.115,48 1,49 1,50 1.037,51 37.658,53 2.687,55 1.331,56 235.593,57 0.125,58 0.125,59 7,60 180.834,61 1,62 3.584,63 38,64 3.219,65 3.219,66 24,67 5.678}
{0 CHEMBL219520,1 1,2 19.919,3 2,4 2,5 0.979,6 5.888,9 4.765,11 2.5,12 1,14 2.636,15 1.208,17 1.448,18 1,19 1,20 2,21 4.765,22 1,23 1,24 -0.192,25 -0.123,26 0.763,27 -0.355,28 -0.355,29 3.393,30 5.009,31 3.852,33 100.716,34 1,35 1,36 1,37 1,40 39.983,41 1.39,42 3.797,43 3.583,44 121.512,45 2.208,47 0.445,48 1,49 1,50 1.153,51 39.096,53 2.727,54 1,55 1.38,56 278.371,57 0.518,58 0.518,59 7,60 191.409,61 1,62 3.7,63 40,64 3.258,65 3.258,66 25,67 4.367}
{0 CHEMBL219648,1 1,2 20.094,3 2,4 2,5 1,6 5.972,9 4.967,11 2.887,12 1,14 2.715,15 2.3,17 1.728,18 1,19 1,20 3,21 4.967,22 1,23 1,24 1.187,25 0.79,26 1.79,27 2.136,28 2.136,29 3.69,30 5.092,31 3.872,33 144.317,34 1,35 1,36 1,37 1,40 45.123,41 2,42 3.967,43 3.691,44 110.512,45 1.887,47 1,48 1,49 1,50 1.439,51 44.957,52 2,53 2.785,54 1,55 2.5,56 263.536,57 1,58 1,59 13,60 228.313,61 1,62 3.866,63 45,64 3.401,65 3.401,66 29,67 8}
{0 CHEMBL219856,1 1,2 9.693,3 1,4 1,5 0.246,6 5.433,9 4.458,11 2.066,12 3,14 2.54,15 0.5,16 1,17 1.404,19 4,20 1,21 4.612,22 1,23 1,24 -0.738,25 -0.613,26 0.365,27 -1.047,28 -1.047,29 3.27,30 4.908,31 3.382,33 99.952,40 29.923,41 0.67,42 3.472,43 3.39,44 89.828,45 1.781,47 -0.299,50 1,51 29.583,53 2.687,55 0.661,56 301.708,57 -0.308,58 -0.308,59 4,60 129.305,62 3.383,63 26,64 3.045,65 3.045,66 20,67 4.747}
{0 CHEMBL220467,1 1,2 9.668,3 1,4 1,5 1,6 6.051,9 4.944,11 2.974,12 1,14 2.715,15 2.344,17 1.729,18 1,19 1,20 3,21 4.944,22 1,23 1,24 1.255,25 0.838,26 1.839,27 2.136,28 2.136,29 3.692,30 5.113,31 3.96,33 155.973,35 1,36 1,37 2,40 47.015,41 2,42 4.024,43 3.805,44 67.828,45 2.204,47 1,48 1,49 1,50 1.611,51 46.803,52 2,53 2.828,54 1,55 2.5,56 244.395,57 1,58 1,59 12,60 241.107,61 2,62 3.972,63 47,64 3.434,65 3.434,66 30,67 8.155}
{0 CHEMBL222556,2 18.749,3 2,4 2,5 0.48,6 5.32,9 4.789,11 2.475,12 2,14 2.186,15 0.698,17 1.386,19 3,20 2,21 4.858,22 1,23 1,24 -0.872,25 -0.639,26 0.28,27 -1.762,28 -1.762,29 3.328,30 4.837,31 3.254,33 97.801,40 32.845,41 0.801,42 3.566,43 3.069,44 121.512,45 1.702,47 -0.177,50 1.305,51 33.181,53 2.48,55 0.812,56 215.68,57 -0.184,58 -0.184,59 7,60 143.841,62 3.223,63 31,64 3.091,65 3.091,66 21,67 4.907}
{0 CHEMBL264901,1 1,2 9.243,3 1,4 1,5 1.135,6 5.951,9 4.946,11 2.798,12 2,14 2.657,15 2.5,17 1.697,19 2,20 3,21 4.993,22 2,23 2,24 1.462,25 0.996,26 2,27 2.275,28 2.275,29 3.662,30 5.209,31 3.914,33 139.912,35 1,36 1,37 2,40 47.317,41 2.018,42 3.967,43 3.794,44 92.973,45 2.203,47 1.008,50 1.58,51 47.171,52 2,53 2.72,54 2,55 2.51,56 222.455,57 1,58 1,59 11,60 240.75,61 2,62 3.873,63 45,64 3.434,65 3.434,66 30,67 4.046}
{0 CHEMBL267210,1 1,2 19.994,3 2,4 2,5 0.74,6 5.916,9 4.736,11 2.5,12 1,14 2.589,15 1.06,17 1.518,18 1,19 1,20 2,21 4.736,22 1,23 1,24 -0.327,25 -0.206,26 0.67,27 -0.632,28 -0.632,29 3.47,30 4.986,31 3.841,33 99.135,34 1,35 1,36 1,37 1,40 40.783,41 1.297,42 3.88,43 3.675,44 110.512,45 2.117,47 0.302,48 1,49 1,50 1.31,51 39.576,53 2.828,54 1,55 1.444,56 290.913,57 0.307,58 0.307,59 6,60 194.781,61 1,62 3.775,63 42,64 3.258,65 3.258,66 25,67 4.143}
{0 CHEMBL287730,1 1,2 9.635,3 1,4 1,5 1,6 6.029,9 5.003,11 2.961,12 1,14 2.675,15 2.118,16 1,17 1.512,18 1,19 1,20 2,21 5.003,22 1,23 1,24 0.927,25 0.577,26 1.553,27 1.372,28 1.372,29 3.582,30 5.1,31 3.927,33 131.691,35 1,36 1,37 2,40 45.306,41 1.934,42 3.926,43 3.699,44 67.828,45 2.207,47 0.931,48 2,49 2,50 1.593,51 45.167,53 2.731,55 2.28,56 220.853,57 0.975,58 0.975,59 7,60 230.51,61 2,62 3.898,63 44,64 3.401,65 3.401,66 29,67 6.301}
{0 CHEMBL288137,5 1.183,6 5.928,9 5.053,11 3.052,12 1,14 2.795,15 2.457,16 1,17 1.729,20 3,21 5.053,22 1,23 1,24 1.434,25 1,26 2,27 2.136,28 2.136,29 3.692,30 5.155,31 4.023,33 175.672,39 3,40 49.504,41 2.018,42 4.085,43 4.029,44 36.145,45 2.342,47 1.013,48 1,49 1,50 1.748,51 49.448,53 2.884,55 2.5,56 271.567,57 1.036,58 1.036,59 12,60 261.551,62 4.09,63 48,64 3.497,65 3.497,66 32,67 6.301}
{0 CHEMBL288381,1 1,2 9.662,3 1,4 1,5 1,6 5.976,9 5.003,11 2.944,12 1,14 2.715,15 2.155,17 1.582,18 1,19 1,20 2,21 5.003,22 1,23 1,24 0.984,25 0.563,26 1.539,27 1.624,28 1.624,29 3.697,30 5.06,31 4.061,33 133.366,35 1,36 1,37 2,40 45.606,41 2,42 3.953,43 3.751,44 67.828,45 2.197,47 1,48 1,49 1,50 1.542,51 45.375,52 2,53 2.727,54 2,55 2.282,56 220.853,57 1,58 1,59 8,60 231.833,61 2,62 3.922,63 44,64 3.401,65 3.401,66 29,67 6.409}
{0 CHEMBL288708,1 1,2 9.668,3 1,4 1,5 1,6 6.051,9 4.944,11 2.974,12 1,14 2.715,15 2.344,17 1.729,18 1,19 1,20 3,21 4.944,22 1,23 1,24 1.255,25 0.838,26 1.839,27 2.136,28 2.136,29 3.692,30 5.113,31 3.96,33 155.973,35 1,36 1,37 2,40 47.015,41 2,42 4.024,43 3.805,44 67.828,45 2.204,47 1,48 1,49 1,50 1.611,51 46.803,52 2,53 2.828,54 1,55 2.5,56 244.395,57 1,58 1,59 12,60 241.107,61 2,62 3.972,63 47,64 3.434,65 3.434,66 30,67 8.097}
{0 CHEMBL288852,1 1,2 9.479,3 1,4 1,5 1,6 5.704,9 4.803,11 2.693,12 1,14 2.715,15 2.202,16 2,17 1.673,18 2,19 1,20 2,21 4.803,22 1,23 1,24 1.033,25 0.678,26 1.67,27 1.805,28 1.805,29 3.674,30 5.034,31 3.756,33 132.046,35 1,36 1,37 1,40 43.853,41 2,42 3.883,43 3.624,44 67.828,45 1.905,46 1,47 1,48 2,49 2,50 1.318,51 43.753,52 2,53 2.694,54 1,55 2.5,56 232.624,57 1,58 1,59 9,60 214.846,62 3.746,63 41,64 3.367,65 3.367,66 28,67 6.301}
{0 CHEMBL289071,1 1,2 9.661,3 1,4 1,5 1.163,6 6.101,9 5.089,11 2.887,12 1,14 2.733,15 2.303,16 1,17 1.718,18 2,19 1,20 2,21 5.089,22 1,23 1,24 1.192,25 0.785,26 1.782,27 2.147,28 2.147,29 3.682,30 5.123,31 3.947,33 145.639,35 1,36 1,37 2,40 47.435,41 2.13,42 4,43 3.742,44 67.828,45 2.14,47 1.128,48 2,49 2,50 1.569,51 46.763,52 1,53 2.831,54 1,55 2.5,56 232.624,57 1.136,58 1.136,59 8,60 241.541,61 2,62 3.935,63 48,64 3.434,65 3.434,66 30,67 6.678}
{0 CHEMBL289470,1 1,2 9.82,3 1,4 1,5 1.189,6 6.086,9 5.187,11 3.046,12 1,14 2.715,15 2.389,17 1.769,18 1,19 1,20 3,21 5.187,22 1,23 1,24 1.335,25 0.924,26 1.925,27 2.136,28 2.136,29 3.734,30 5.117,31 4.08,33 145.926,35 1,36 1,37 2,40 50.198,41 2.165,42 4.13,43 3.928,44 67.828,45 2.329,47 1.165,48 1,49 1,50 1.818,51 50.418,52 2,53 2.815,54 1,55 2.5,56 244.395,57 1.166,58 1.166,59 11,60 268.802,61 2,62 4.073,63 52,64 3.497,65 3.497,66 32,67 7.77}
{0 CHEMBL289555,1 1,2 9.647,3 1,4 1,5 1.008,6 5.977,9 5.01,11 2.99,12 1,14 2.659,15 1.414,17 1.562,18 1,19 1,20 3,21 5.112,22 1,23 1,24 0.081,25 0.061,26 1.04,27 0.158,28 0.158,29 3.523,30 5.038,31 3.891,33 135.795,35 1,36 1,37 2,40 44.378,41 1.892,42 3.965,43 3.731,44 67.828,45 2.152,47 0.89,48 1,49 1,50 1.618,51 44.064,52 1,53 2.909,54 2,55 2.15,56 220.853,57 0.913,58 0.913,59 10,60 223.346,61 2,62 3.866,63 45,64 3.367,65 3.367,66 28,67 6.523}
{0 CHEMBL289854,1 1,2 9.649,3 1,4 1,5 1.163,6 6.043,9 5.089,11 2.887,12 1,14 2.733,15 2.303,17 1.716,18 1,19 1,20 2,21 5.089,22 1,23 1,24 1.192,25 0.785,26 1.783,27 2.147,28 2.147,29 3.679,30 5.123,31 3.93,33 145.639,35 1,36 1,37 1,40 47.435,41 2.13,42 3.996,43 3.766,44 67.828,45 2.14,46 1,47 1.128,48 2,49 2,50 1.569,51 46.763,52 1,53 2.826,54 1,55 2.5,56 232.624,57 1.136,58 1.136,59 8,60 241.541,61 1,62 3.944,63 48,64 3.434,65 3.434,66 30,67 6.301}
{0 CHEMBL290674,1 1,2 9.7,3 1,4 1,5 1.22,6 6.072,9 5.107,11 2.975,12 1,14 2.715,15 2.334,17 1.795,18 1,19 1,20 3,21 5.17,22 1,23 1,24 1.24,25 0.824,26 1.825,27 2.136,28 2.136,29 3.76,30 5.165,31 4.042,33 160.088,35 1,36 1,37 2,40 47.995,41 2.171,42 3.998,43 3.932,44 78.828,45 2.334,47 1.169,48 1,49 1,50 1.666,51 47.775,52 2,53 2.908,55 2.5,56 255.395,57 1.176,58 1.176,59 12,60 252.562,61 2,62 4,63 47,64 3.466,65 3.466,66 31,67 7.201}
{0 CHEMBL290910,1 1,2 9.791,3 1,4 1,5 1,6 5.99,9 4.969,11 2.974,12 1,14 2.715,15 2.344,17 1.737,18 1,19 1,20 3,21 4.969,22 1,23 1,24 1.255,25 0.843,26 1.844,27 2.136,28 2.136,29 3.699,30 5.088,31 3.935,33 158.863,35 1,36 1,37 2,40 47.015,41 2,42 4.067,43 3.878,44 67.828,45 2.165,47 1,48 1,49 1,50 1.61,51 46.385,52 2,53 2.836,54 1,55 2.5,56 279.708,57 1,58 1,59 12,60 241.107,61 2,62 4.023,63 47,64 3.434,65 3.434,66 30,67 8}
{0 CHEMBL291268,5 1,6 6.009,9 4.942,11 2.974,12 1,14 2.715,15 2.344,17 1.729,19 1,20 3,21 4.942,22 1,23 1,24 1.255,25 0.841,26 1.842,27 2.136,28 2.136,29 3.692,30 5.105,31 3.952,33 159.768,40 47.015,41 2,42 4.034,43 3.837,44 25.145,45 2.203,47 1,48 1,49 1,50 1.611,51 46.812,53 2.834,55 2.5,56 201.711,57 1,58 1,59 12,60 241.107,62 3.995,63 47,64 3.434,65 3.434,66 30,67 6.301}
{0 CHEMBL297497,1 1,2 9.919,3 1,4 1,5 1.64,6 6.304,9 5.491,11 3.337,12 1,14 2.879,15 2.665,17 1.758,18 1,19 1,20 3,21 5.491,22 1,23 1,24 1.742,25 1.173,26 2.177,27 2.735,28 2.735,29 3.779,30 5.318,31 4.347,33 175.308,35 1,36 1,37 2,40 60.041,41 2.464,42 4.269,43 4.294,44 78.828,45 2.535,47 1.448,48 1,49 1,50 2.099,51 58.572,52 2,53 3.075,54 2,55 2.698,56 314.25,57 1.474,58 1.474,59 10,60 338.513,61 2,62 4.351,63 62,64 3.638,65 3.638,66 37,67 7.495}
{0 CHEMBL298568,1 1,2 9.809,3 1,4 1,5 1.393,6 6.341,9 5.239,11 3.14,12 2,14 2.835,15 2.5,16 2,17 1.732,18 2,19 1,20 3,21 5.294,22 2,23 2,24 1.5,25 1,26 2,27 2.386,28 2.386,29 3.69,30 5.27,31 4.298,33 168.645,35 1,36 1,37 2,39 3,40 53.985,41 2.276,42 4.146,43 4.201,44 92.973,45 2.562,47 1.274,48 1,49 1,50 1.989,51 53.42,52 2,53 2.91,54 2,55 2.5,56 304.853,57 1.275,58 1.275,59 12,60 297.856,61 2,62 4.245,63 55,64 3.555,65 3.555,66 34,67 6.409}
{0 CHEMBL300058,1 1,2 9.657,3 1,4 1,5 1.17,6 6.157,9 5.13,11 2.975,12 1,14 2.734,15 2.347,17 1.726,18 1,19 1,20 3,21 5.13,22 1,23 1,24 1.259,25 0.842,26 1.844,27 2.275,28 2.275,29 3.691,30 5.172,31 4.023,33 155.618,35 1,36 1,37 2,40 49.359,41 2.135,42 4.046,43 3.818,44 67.828,45 2.352,47 1.134,48 1,49 1,50 1.688,51 48.61,52 1,53 2.859,54 1,55 2.5,56 232.624,57 1.137,58 1.137,59 11,60 254.496,61 2,62 3.992,63 50,64 3.466,65 3.466,66 31,67 7.921}
{0 CHEMBL303167,5 1,6 5.879,9 4.565,11 2.5,12 1,14 2.715,15 1.469,17 1.524,19 1,20 1,21 4.565,24 0.219,25 0.157,26 1.067,27 0.457,28 0.457,29 3.596,30 5.026,31 3.913,33 86.79,38 1,39 1,40 40.787,41 1.764,42 3.81,43 3.574,44 20.734,45 2.124,47 0.768,48 1,49 1,50 1.079,51 40.746,53 2.845,55 2,56 209.072,57 0.807,58 0.807,59 4,60 198.479,62 3.718,63 34,64 3.332,65 3.332,66 27,67 4.301}
{0 CHEMBL304401,5 0.51,6 5.408,9 4.325,11 2.271,12 1,14 2.205,15 0.5,17 1.339,19 1,20 1,21 4.325,24 -1,25 -0.7,27 -2.102,28 -2.102,29 3.267,30 4.845,31 3.408,33 81.362,38 1,39 2,40 32.526,41 0.82,42 3.482,43 3.057,44 9.734,45 1.526,47 -0.087,48 1,49 1,50 1,51 31.676,53 2.595,55 0.598,56 127.445,57 -0.097,58 -0.097,59 4,60 141.275,62 3.232,63 28,64 3.091,65 3.091,66 21,67 5.523}
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{0 CHEMBL305215,5 0.678,6 5.116,9 4.307,11 2.387,12 1,14 2.124,15 0.641,17 1.195,19 1,20 1,21 4.307,24 -1,25 -0.763,26 0.068,27 -1.908,28 -1.908,29 3.538,30 4.749,31 3.397,33 83.913,38 1,39 1,40 32.221,41 0.756,42 3.46,43 3.086,44 9.734,45 2.156,47 -0.151,48 1,49 1,50 1.056,51 35.207,53 2.519,55 0.75,56 127.445,57 -0.167,58 -0.167,59 4,60 136.426,62 3.253,63 26,64 3.091,65 3.091,66 21,67 5.032}
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{0 CHEMBL306100,5 0.032,6 4.902,9 4.21,11 2.272,12 1,14 1.792,15 0.5,17 1.213,19 1,20 1,21 4.21,24 -1.5,25 -1,27 -3,28 -3,29 3.178,30 4.691,31 3.075,33 87.669,38 1,39 3,40 27.619,41 0.3,42 3.321,43 2.874,44 9.734,45 1.345,47 -0.629,48 1,49 1,50 1,51 30.048,53 2.519,55 0.578,56 103.903,57 -0.663,58 -0.663,59 4,60 110.442,62 2.981,63 22,64 2.944,65 2.944,66 18,67 4.456}
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{0 CHEMBL306831,5 0.916,6 5.629,9 4.787,11 2.5,12 1,14 2.683,15 1.218,17 1.574,19 1,20 1,21 4.787,24 -0.121,25 -0.085,26 0.824,27 -0.231,28 -0.231,29 3.571,30 4.998,31 3.66,33 91.5,38 1,39 2,40 37.644,41 1.725,42 3.734,43 3.505,44 9.734,45 1.803,47 0.727,48 1,49 1,50 1.073,51 37.146,53 2.687,55 1.275,56 221.614,57 0.769,58 0.769,59 4,60 176.34,62 3.579,63 32,64 3.258,65 3.258,66 25,67 4.301}
{0 CHEMBL307768,5 0.54,6 5.268,9 4.25,11 2.385,12 1,14 2.523,15 0.575,17 1.323,19 1,20 1,21 4.25,24 -1,25 -0.748,26 0.069,27 -2,28 -2,29 3.537,30 4.784,31 3.47,33 83.675,38 1,39 1,40 34.336,41 0.821,42 3.607,43 3.216,44 9.734,45 1.479,47 -0.093,48 1,49 1,50 1.054,51 34.58,53 2.658,55 0.748,56 198.072,57 -0.103,58 -0.103,59 4,60 146.749,62 3.452,63 28,64 3.135,65 3.135,66 22,67 4.301}
{0 CHEMBL308141,5 0.823,6 5.689,9 4.355,11 2.387,12 1,14 2.124,15 0.741,17 1.185,19 1,20 1,21 4.355,24 -0.555,25 -0.419,26 0.413,27 -1.256,28 -1.256,29 3.533,30 4.916,31 3.698,33 79.187,38 1,39 1,40 36.929,41 1.069,42 3.512,43 3.206,44 20.734,45 2.158,47 0.158,48 1,49 1,50 1.057,51 36.892,53 2.687,55 0.854,56 138.445,57 0.182,58 0.182,59 4,60 166.267,62 3.432,63 29,64 3.219,65 3.219,66 24,67 6.097}
{0 CHEMBL318798,1 1,2 9.74,3 1,4 1,5 1.204,6 6.034,9 5.154,11 3.046,12 1,14 2.715,15 2.389,17 1.754,18 1,19 1,20 3,21 5.154,22 1,23 1,24 1.335,25 0.901,26 1.904,27 2.136,28 2.136,29 3.717,30 5.137,31 4.084,33 147.507,35 1,36 1,37 1,40 50.198,41 2.159,42 4.077,43 3.852,44 78.828,45 2.389,46 1,47 1.157,48 1,49 1,50 1.839,51 50.501,52 2,53 2.81,54 1,55 2.5,56 231.852,57 1.166,58 1.166,59 11,60 268.802,61 1,62 3.996,63 52,64 3.497,65 3.497,66 32,67 6.69}
{0 CHEMBL320204,1 1,2 9.809,3 1,4 1,5 1.576,6 6.184,9 5.369,11 3.046,12 1,14 2.734,15 2.392,17 1.766,18 1,19 1,20 3,21 5.369,22 1,23 1,24 1.339,25 0.927,26 1.928,27 2.474,28 2.474,29 3.733,30 5.176,31 4.135,33 145.571,35 1,36 1,37 2,40 52.672,41 2.382,42 4.15,43 3.945,44 67.828,45 2.388,47 1.354,48 1,49 1,50 2.044,51 52.301,52 1,53 2.85,54 1,55 2.616,56 232.624,57 1.414,58 1.414,59 10,60 282.765,61 2,62 4.091,63 55,64 3.526,65 3.526,66 33,67 7.469}
{0 CHEMBL320245,1 1,2 9.807,3 1,4 1,5 1.399,6 5.992,9 5.154,11 3.046,12 1,14 2.715,15 2.389,17 1.757,18 1,19 1,20 3,21 5.154,22 1,23 1,24 1.335,25 0.887,26 1.895,27 2.136,28 2.136,29 3.732,30 5.105,31 4.176,33 140.122,35 1,36 1,37 1,40 50.198,41 2.157,42 4.114,43 3.893,44 67.828,45 2.699,47 1.151,48 1,49 1,50 1.903,51 53.225,52 2,53 2.825,54 1,55 2.5,56 220.853,57 1.166,58 1.166,59 11,60 268.802,61 2,62 4.037,63 52,64 3.497,65 3.497,66 32,67 6.77}
{0 CHEMBL321060,1 1,2 9.851,3 1,4 1,5 1.495,6 6.15,9 5.368,11 3.046,12 1,14 2.784,15 2.392,17 1.784,18 1,19 1,20 3,21 5.368,22 1,23 1,24 1.339,25 0.927,26 1.928,27 2.474,28 2.474,29 3.75,30 5.153,31 4.127,33 148.461,35 1,36 1,37 2,40 52.672,41 2.414,42 4.192,43 4.001,44 67.828,45 2.359,47 1.414,48 1,49 1,50 2.016,51 51.994,52 2,53 2.964,54 1,55 2.616,56 267.937,57 1.414,58 1.414,59 10,60 282.765,61 2,62 4.152,63 55,64 3.526,65 3.526,66 33,67 8}
{0 CHEMBL321163,1 1,2 9.842,3 1,4 1,5 1.506,6 6.118,9 5.342,11 3.046,12 1,14 2.783,15 2.392,17 1.76,18 1,19 1,20 3,21 5.342,22 1,23 1,24 1.339,25 0.905,26 1.911,27 2.474,28 2.474,29 3.748,30 5.142,31 4.282,33 142.656,35 1,36 1,37 2,40 52.672,41 2.414,42 4.176,43 3.966,44 67.828,45 2.833,47 1.393,48 1,49 1,50 2.132,51 54.567,52 2,53 2.964,54 1,55 2.616,56 244.395,57 1.414,58 1.414,59 10,60 282.765,61 1,62 4.127,63 55,64 3.526,65 3.526,66 33,67 7.569}
{0 CHEMBL322100,1 1,2 9.789,3 1,4 1,5 1.189,6 6.068,8 1,9 5.107,11 3.046,12 1,14 2.715,15 2.389,16 1,17 1.741,18 1,19 1,20 2,21 5.107,22 1,23 1,24 1.335,25 0.892,26 1.892,27 2.136,28 2.136,29 3.704,30 5.135,31 4.087,33 125.258,35 1,36 1,37 2,39 2,40 50.198,41 2.137,42 4.06,43 3.847,44 67.828,45 2.329,47 1.13,48 3,49 3,50 1.818,51 50.418,52 2,53 2.803,54 1,55 2.5,56 220.853,57 1.166,58 1.166,59 8,60 268.802,61 2,62 3.988,63 52,64 3.497,65 3.497,66 32,67 6.42}
{0 CHEMBL322274,1 1,2 9.821,3 1,4 1,5 1.615,6 6.449,9 5.368,11 3.191,12 1,14 2.785,15 2.573,17 1.781,18 1,19 1,20 3,21 5.368,22 1,23 1,24 1.604,25 1.086,26 2.102,27 2.799,28 2.799,29 3.75,30 5.276,31 4.334,33 147.395,35 1,36 1,37 2,40 57.882,41 2.43,42 4.226,43 4.058,44 67.828,45 2.633,47 1.419,48 1,49 1,50 2.066,51 56.814,52 2,53 3.099,54 1,55 2.651,56 232.624,57 1.435,58 1.435,59 10,60 323.923,61 2,62 4.214,63 61,64 3.611,65 3.611,66 36,67 7.398}
{0 CHEMBL322855,1 1,2 9.814,3 1,4 1,5 1.086,6 5.993,9 5.065,11 3.032,12 1,14 2.685,15 2.248,17 1.71,18 1,19 1,20 2,21 5.065,22 1,23 1,24 1.117,25 0.693,26 1.69,27 2.109,28 2.109,29 3.733,30 5.064,31 4.148,33 123.319,35 1,36 1,37 2,40 49.073,41 2.011,42 4.069,43 3.868,44 67.828,45 2.325,47 1,48 1,49 1,50 1.776,51 49.19,52 2,53 2.779,54 2,55 2.5,56 220.853,57 1.051,58 1.051,59 8,60 258.547,61 2,62 3.994,63 49,64 3.466,65 3.466,66 31,67 6.74}
{0 CHEMBL322929,1 1,2 9.852,3 1,4 1,5 1.482,6 6.128,9 5.225,11 2.978,12 1,14 2.715,15 2.483,17 1.814,18 1,19 1,20 3,21 5.225,22 1,23 1,24 1.472,25 1,26 2,27 2.136,28 2.136,29 3.78,30 5.169,31 4.157,33 150.042,35 1,36 1,37 2,40 51.464,41 2.378,42 4.112,43 4.035,44 78.828,45 2.39,47 1.368,48 1,49 1,50 1.815,51 51.65,52 2,53 2.907,55 2.5,56 255.395,57 1.391,58 1.391,59 11,60 281.52,61 2,62 4.109,63 53,64 3.526,65 3.526,66 33,67 6.017}
{0 CHEMBL324668,1 1,2 9.808,3 1,4 1,5 1.456,6 6.191,9 5.194,11 3.167,12 2,14 2.715,15 2.5,17 1.771,18 1,19 1,20 3,21 5.194,22 2,23 2,24 1.5,25 0.99,26 1.999,27 2.189,28 2.189,29 3.773,30 5.144,31 4.337,33 140.122,35 1,36 1,37 2,40 52.447,41 2.163,42 4.153,43 3.967,44 89.985,45 2.734,47 1.161,48 1,49 1,50 1.919,51 54.197,52 2,53 2.836,54 1,55 2.535,56 243.009,57 1.166,58 1.166,59 11,60 285.007,61 1,62 4.107,63 55,64 3.526,65 3.526,66 33,67 6.686}
{0 CHEMBL326692,1 1,2 9.786,3 1,4 1,5 1.076,6 6.069,9 5.26,11 3.046,12 1,14 2.656,15 2.118,17 1.564,18 1,19 1,20 2,21 5.26,22 1,23 1,24 0.927,25 0.634,26 1.636,27 1.591,28 1.591,29 3.655,30 5.105,31 4.053,33 131.5,35 1,36 1,37 2,40 48.539,41 2.019,42 4.053,43 3.838,44 77.336,45 2.33,47 1.017,48 1,49 1,50 1.792,51 48.879,52 1,53 2.778,54 1,55 2.293,56 230.36,57 1.028,58 1.028,59 6,60 257.736,61 2,62 4.009,63 49,64 3.466,65 3.466,66 31,67 6.721}
{0 CHEMBL326960,5 0.83,6 5.615,7 1,9 4.52,11 2.5,14 2.659,15 0.923,17 1.48,20 2,21 4.52,24 -0.46,25 -0.367,26 0.598,27 -0.893,28 -0.893,29 3.586,30 4.961,31 3.598,33 119.269,39 3,40 38.516,41 1.801,42 3.696,43 3.475,45 1.776,47 0.802,48 1,49 1,50 1,51 37.52,53 2.687,55 1.372,56 141.253,57 0.814,58 0.814,59 9,60 181.897,62 3.564,63 34,64 3.258,65 3.258,66 25,67 4.301}
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{0 CHEMBL333276,2 9.231,3 1,4 1,5 0.51,6 5.336,7 1,9 4.21,10 1,11 2.406,14 1.904,15 0.408,17 1.198,20 1,21 4.21,24 -1,25 -0.7,27 -3,28 -3,29 3.043,30 4.891,31 3.141,33 73.722,34 1,40 31.404,41 0.419,42 3.317,43 2.844,44 42.683,45 1.81,47 -0.458,48 1,49 1,50 1,51 31.905,53 2.4,55 0.5,56 89.768,57 -0.503,58 -0.503,59 4,60 132.72,62 2.972,63 27,64 3.045,65 3.045,66 20,67 4.301}
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{0 CHEMBL334117,5 0.51,6 5.546,7 2,9 4.453,10 1,11 2.408,14 2.277,15 0.513,17 1.379,20 1,21 4.453,24 -0.935,25 -0.7,26 0.197,27 -1.606,28 -1.606,29 3.278,30 4.938,31 3.388,33 86.981,34 1,40 34.041,41 0.951,42 3.479,43 3.146,45 1.869,47 0.012,48 1,49 1,50 1.195,51 34.377,53 2.687,55 0.891,56 105.94,57 0.013,58 0.013,59 4,60 151.577,62 3.3,63 30,64 3.135,65 3.135,66 22,67 4.301}
{0 CHEMBL334317,5 0.51,6 5.366,7 1,9 4.182,11 2.406,14 2.035,15 0.408,17 1.271,20 1,21 4.182,24 -1,25 -0.7,27 -3,28 -3,29 3.061,30 4.84,31 3.142,33 85.304,39 3,40 31.404,41 0.458,42 3.38,43 2.914,45 1.788,47 -0.482,48 1,49 1,50 1,51 31.856,53 2.575,55 0.5,56 82.398,57 -0.503,58 -0.503,59 4,60 132.72,62 3.03,63 27,64 3.045,65 3.045,66 20,67 5.585}
{0 CHEMBL341694,5 1.646,6 6.245,9 4.995,11 3.156,12 2,14 2.98,15 2.504,17 1.867,19 2,20 4,21 5.118,22 2,23 2,24 1.5,25 1.034,26 2.045,27 2.88,28 2.88,29 3.839,30 5.456,31 4.354,33 234.993,34 2,38 1,40 65.145,41 2.454,42 4.304,43 4.377,44 61.29,45 2.709,46 2,47 1.449,48 1,49 1,50 2.093,51 65.865,53 3.215,55 2.781,56 367.338,57 1.452,58 1.452,59 19,60 388.944,62 4.353,63 60,64 3.784,65 3.784,66 43,67 4.301}
{0 CHEMBL341925,5 1.439,6 5.882,9 5.247,11 2.918,12 2,14 2.715,15 2.5,17 1.815,19 2,20 2,21 5.247,22 2,23 2,24 1.5,25 0.977,26 1.996,27 2.197,28 2.197,29 3.776,30 5.228,31 4.028,33 161.038,34 2,38 1,40 51.401,41 2,42 3.979,43 3.946,44 50.29,45 2.529,46 2,47 1,48 2,49 2,50 1.646,51 52.604,53 3.079,55 2.5,56 277.776,57 1.037,58 1.037,59 9,60 275.505,62 3.903,63 45,64 3.555,65 3.555,66 34,67 4.301}
{0 CHEMBL342220,5 1.646,6 6.027,9 5.236,11 3.049,12 3,14 2.817,15 2.5,17 1.865,19 3,20 3,21 5.236,22 3,23 3,24 1.5,25 1,26 2,27 2.275,28 2.275,29 3.842,30 5.348,31 4.102,33 169.786,34 2,38 1,40 56.886,41 2.261,42 4.101,43 4.013,44 75.435,45 2.72,46 2,47 1.252,48 1,49 1,50 2.089,51 58.139,53 3.208,55 2.5,56 302.921,57 1.244,58 1.244,59 13,60 311.378,62 3.997,63 51,64 3.638,65 3.638,66 37,67 4.301}
{0 CHEMBL345147,1 1,2 9.098,3 1,4 1,5 1.439,6 6.378,9 4.972,11 2.861,12 3,14 2.753,15 1.681,17 1.635,18 1,19 4,20 2,21 4.972,22 2,23 2,24 0.454,25 0.343,26 1.322,27 0.938,28 0.938,29 3.682,30 5.116,31 3.985,33 107.317,35 1,36 1,37 2,40 44.705,41 1.829,42 3.889,43 3.581,44 92.973,45 2.556,47 0.824,50 1.608,51 44.915,52 1,53 2.913,54 1,55 1.878,56 273.375,57 0.846,58 0.846,59 6,60 217.739,61 2,62 3.713,63 42,64 3.367,65 3.367,66 28,67 7.745}
{0 CHEMBL345446,1 1,2 9.12,3 1,4 1,5 1.03,6 6.182,9 4.972,11 2.78,12 3,14 2.715,15 1.529,17 1.637,18 1,19 4,20 2,21 4.972,22 2,23 2,24 0.239,25 0.172,26 1.147,27 0.448,28 0.448,29 3.701,30 5.038,31 3.856,33 153.181,35 1,36 1,37 2,40 42.335,41 1.797,42 3.863,43 3.536,44 92.973,45 2.548,47 0.79,50 1.549,51 42.711,52 1,53 2.838,54 1,55 1.862,56 245.998,57 0.793,58 0.793,59 7,60 201.256,61 2,62 3.642,63 38,64 3.332,65 3.332,66 27,67 6.134}
{0 CHEMBL345464,1 1,2 9.159,3 1,4 1,5 1.431,6 6.339,9 5.215,11 2.891,12 3,14 2.765,15 1.858,17 1.638,18 1,19 4,20 2,21 5.215,22 2,23 2,24 0.777,25 0.72,26 1.729,27 1.742,28 1.742,29 3.685,30 5.211,31 4.071,33 113.612,35 1,36 1,37 2,40 48.293,41 2.088,42 3.944,43 3.723,44 103.973,45 2.578,47 1.085,50 2.175,51 47.57,52 1,53 3.111,54 2,55 2.104,56 296.146,57 1.092,58 1.092,59 7,60 246.628,61 2,62 3.853,63 43,64 3.466,65 3.466,66 31,67 7.699}
{0 CHEMBL345652,1 1,2 9.15,3 1,4 1,5 1.475,6 6.488,9 4.97,11 2.928,12 3,14 2.753,15 1.787,17 1.636,18 1,19 4,20 2,21 5.095,22 2,23 2,24 0.64,25 0.494,26 1.469,27 1.134,28 1.134,29 3.678,30 5.268,31 4.086,33 126.593,35 1,36 1,37 2,40 49.352,41 1.844,42 3.996,43 3.817,44 114.973,45 2.592,47 0.84,50 2.247,51 49.277,52 1,53 2.986,54 1,55 1.891,56 315.082,57 0.87,58 0.87,59 5,60 252.615,61 2,62 3.93,63 48,64 3.466,65 3.466,66 31,67 7.046}
{0 CHEMBL345685,1 1,2 18.61,3 2,4 2,5 1.126,6 6.235,9 5.211,11 2.786,12 3,14 2.733,15 1.498,17 1.636,18 1,19 4,20 2,21 5.211,22 2,23 2,24 0.191,25 0.143,26 1.118,27 0.362,28 0.362,29 3.674,30 5.109,31 3.772,33 104.172,35 1,36 1,37 2,40 42.325,41 1.793,42 3.843,43 3.527,44 135.657,45 2.401,47 0.786,50 1.512,51 42.809,52 1,53 2.802,54 1,55 1.862,56 288.681,57 0.787,58 0.787,59 7,60 201.954,61 2,62 3.657,63 38,64 3.332,65 3.332,66 27,67 6.215}
{0 CHEMBL345701,1 1,2 9.09,3 1,4 1,5 1.486,6 6.779,9 5.033,11 2.917,12 3,14 2.787,15 1.782,17 1.633,18 1,19 4,20 2,21 5.033,22 2,23 2,24 0.686,25 0.485,26 1.456,27 1.464,28 1.464,29 3.675,30 5.294,31 4.281,33 119.233,35 1,36 1,37 2,40 51.14,41 1.832,42 3.974,43 3.782,44 103.973,45 2.645,47 0.827,50 1.86,51 50.478,52 1,53 3.047,54 1,55 1.886,56 256.997,57 0.851,58 0.851,59 4,60 261.387,61 2,62 3.907,63 52,64 3.466,65 3.466,66 31,67 8.097}
{0 CHEMBL347148,1 1,2 9.132,3 1,4 1,5 1.035,6 6.236,9 5.033,11 2.783,12 3,14 2.715,15 1.692,17 1.637,18 1,19 4,20 2,21 5.033,22 2,23 2,24 0.58,25 0.447,26 1.395,27 0.83,28 0.83,29 3.677,30 5.126,31 3.776,33 120.298,35 1,36 1,37 2,40 43.752,41 1.799,42 3.89,43 3.567,44 103.973,45 2.548,47 0.793,50 1.593,51 44.053,52 1,53 2.822,54 1,55 1.864,56 292.311,57 0.797,58 0.797,59 7,60 211.245,61 2,62 3.716,63 40,64 3.367,65 3.367,66 28,67 5.77}
{0 CHEMBL348270,1 1,2 9.123,3 1,4 1,5 1,6 5.966,9 4.772,11 2.5,12 3,14 2.715,15 1.321,17 1.637,18 1,19 4,20 2,21 4.772,22 2,23 2,24 -0.075,25 -0.058,26 0.941,27 -0.141,28 -0.141,29 3.676,30 4.961,31 3.528,33 114.003,35 1,36 1,37 2,40 38.215,41 1.787,42 3.781,43 3.419,44 92.973,45 1.824,47 0.779,50 1.191,51 39.021,52 1,53 2.687,54 1,55 1.858,56 269.54,57 0.778,58 0.778,59 9,60 176.461,61 2,62 3.572,63 33,64 3.258,65 3.258,66 25,67 6.387}
{0 CHEMBL348871,1 1,2 9.162,3 1,4 1,5 1.03,6 6.034,9 4.972,11 2.7,12 3,14 2.715,15 1.47,17 1.638,18 1,19 4,20 2,21 4.972,22 2,23 2,24 0.179,25 0.111,26 1.066,27 0.335,28 0.335,29 3.711,30 4.995,31 3.916,33 147.561,35 1,36 1,37 2,40 42.327,41 1.79,42 3.895,43 3.563,44 92.973,45 2.398,47 0.782,50 1.476,51 42.54,52 1,53 3.104,54 2,55 1.858,56 285.146,57 0.784,58 0.784,59 7,60 201.195,61 2,62 3.688,63 38,64 3.332,65 3.332,66 27,67 7.155}
{0 CHEMBL349577,1 1,2 9.214,3 1,4 1,5 1.476,6 6.436,9 5.314,11 3.046,12 3,14 2.895,15 2.243,17 1.651,18 1,19 4,20 3,21 5.395,22 2,23 2,24 1.125,25 0.823,26 1.825,27 2.046,28 2.046,29 3.788,30 5.257,31 4.147,33 139.571,35 1,36 1,37 2,40 53.533,41 2.258,42 4.121,43 3.971,44 92.973,45 2.544,47 1.258,50 1.618,51 53.382,52 1,53 3.143,54 1,55 2.583,56 281.311,57 1.258,58 1.258,59 10,60 290.857,61 2,62 4.058,63 52,64 3.555,65 3.555,66 34,67 6.745}
{0 CHEMBL351786,1 1,2 9.135,3 1,4 1,5 1.451,6 6.442,9 5.113,11 2.875,12 3,14 2.753,15 1.876,17 1.637,18 1,19 4,20 2,21 5.113,22 2,23 2,24 0.8,25 0.723,26 1.733,27 1.731,28 1.731,29 3.678,30 5.208,31 4.008,33 122.478,35 1,36 1,37 2,40 47.231,41 1.937,42 3.948,43 3.758,44 103.973,45 2.583,47 0.926,50 1.713,51 47.599,52 1,53 2.913,54 1,55 2.109,56 304.082,57 1,58 1,59 6,60 237.574,61 2,62 3.858,63 44,64 3.434,65 3.434,66 30,67 7.77}
{0 CHEMBL358435,1 1,2 9.18,3 1,4 1,5 1.035,6 6.126,9 5.033,11 2.783,12 3,14 2.715,15 1.692,17 1.638,18 1,19 4,20 2,21 5.033,22 2,23 2,24 0.58,25 0.446,26 1.394,27 0.83,28 0.83,29 3.69,30 5.087,31 3.906,33 114.678,35 1,36 1,37 2,40 43.752,41 1.799,42 3.918,43 3.622,44 103.973,45 2.549,47 0.792,50 1.594,51 44.071,52 1,53 3.016,54 1,55 1.864,56 331.459,57 0.797,58 0.797,59 7,60 211.245,61 2,62 3.758,63 40,64 3.367,65 3.367,66 28,67 5.076}
{0 CHEMBL359171,5 1.876,6 6.215,9 5.341,11 3.282,12 3,14 2.971,15 2.5,16 1,17 1.866,19 3,20 3,21 5.341,22 3,23 3,24 1.5,25 1.02,26 2.03,27 2.855,28 2.855,29 3.841,30 5.462,31 4.244,33 191.692,34 2,38 1,40 65.445,41 2.457,42 4.285,43 4.23,44 86.435,45 2.719,46 2,47 1.452,48 1,49 1,50 2.398,51 67.322,53 3.211,55 2.64,56 404.254,57 1.456,58 1.456,59 13,60 379.856,62 4.238,63 59,64 3.784,65 3.784,66 43,67 4.301}
{0 CHEMBL36047,1 1,2 9.8,3 1,4 1,5 1,6 6.138,9 5.029,11 2.974,12 1,14 2.715,15 2.367,17 1.73,18 1,19 1,20 3,21 5.029,22 1,23 1,24 1.298,25 0.89,26 1.891,27 2.136,28 2.136,29 3.693,30 5.143,31 4.088,33 158.507,35 1,36 1,37 2,40 48.689,41 2,42 4.071,43 3.969,44 67.828,45 2.288,47 1,48 1,49 1,50 1.637,51 48.152,52 2,53 2.841,54 1,55 2.5,56 267.937,57 1,58 1,59 12,60 254.659,61 2,62 4.095,63 49,64 3.466,65 3.466,66 31,67 7.523}
{0 CHEMBL36981,1 1,2 9.661,3 1,4 1,5 1,6 6.084,9 5.133,11 2.736,12 1,14 2.782,15 1.475,17 1.668,18 1,19 1,20 2,21 5.133,22 1,23 1,24 0.308,25 0.276,26 1.272,27 0.526,28 0.526,29 3.594,30 5.113,31 3.956,33 126.904,35 1,36 1,37 2,40 45.106,41 2,42 4.044,43 3.892,44 67.828,45 2.168,47 1,48 1,49 1,50 1.631,51 43.877,52 1,53 2.91,54 1,55 2.093,56 338.564,57 1,58 1,59 7,60 227.178,61 2,62 4.013,63 44,64 3.401,65 3.401,66 29,67 7.222}
{0 CHEMBL370008,1 1,2 9.134,3 1,4 1,5 1.029,6 5.999,9 4.914,11 2.5,12 3,14 2.715,15 1.845,17 1.649,18 1,19 4,20 2,21 4.914,22 2,23 2,24 0.747,25 0.594,26 1.574,27 1.53,28 1.53,29 3.775,30 5.054,31 3.603,33 120.654,35 1,36 1,37 2,40 40.658,41 1.809,42 3.81,43 3.569,44 103.973,45 2.34,47 0.805,50 1.476,51 41.487,53 2.687,55 1.912,56 304.082,57 0.822,58 0.822,59 9,60 191.849,61 2,62 3.603,63 34,64 3.332,65 3.332,66 27,67 5.699}
{0 CHEMBL370228,1 1,2 9.005,3 1,4 1,5 1.058,6 6.13,9 5.203,11 2.816,12 2,14 2.727,15 1.584,17 1.608,18 1,19 2,20 2,21 5.203,22 2,23 2,24 0.481,25 0.367,26 1.294,27 0.624,28 0.624,29 3.673,30 5.162,31 3.805,33 136.174,35 1,36 1,37 1,40 43.679,41 1.793,42 3.811,43 3.56,44 113.48,45 2.342,47 0.786,50 1.61,51 43.997,52 1,53 2.854,54 1,55 2.244,56 254.734,57 0.787,58 0.787,59 7,60 212.463,62 3.671,63 40,64 3.367,65 3.367,66 28,67 6.469}
{0 CHEMBL370865,1 1,2 9.16,3 1,4 1,5 1,6 5.735,9 4.805,11 2.533,12 2,14 2.715,15 1.289,17 1.737,19 2,20 3,21 4.875,22 2,23 2,24 -0.089,25 -0.07,26 0.918,27 -0.175,28 -0.175,29 3.696,30 5.017,31 3.575,33 144.305,35 1,36 1,37 1,40 39.559,41 2,42 3.801,43 3.489,44 92.973,45 1.715,47 1,50 1.312,51 40.351,52 1,53 2.687,54 1,55 2.5,56 245.998,57 1,58 1,59 13,60 187.144,61 2,62 3.619,63 36,64 3.296,65 3.296,66 26,67 5.301}
{0 CHEMBL371482,1 2,2 18.374,3 2,4 2,5 1.411,6 6.439,9 5.316,11 2.899,12 3,14 2.733,15 2.288,17 1.632,18 2,19 3,20 2,21 5.316,22 3,23 3,24 1.133,25 0.664,26 1.662,27 2,28 2,29 3.681,30 5.274,31 4.089,33 122.612,35 2,36 2,37 3,40 49.55,41 2.104,42 3.949,43 3.746,44 171.801,45 2.542,47 1.101,50 1.874,51 49.395,52 2,53 3.064,54 2,55 2.348,56 301.283,57 1.111,58 1.111,59 7,60 251.191,61 2,62 3.843,63 47,64 3.466,65 3.466,66 31,67 6}
{0 CHEMBL371732,1 1,2 9.075,3 1,4 1,5 1.058,6 6.143,9 5.203,11 2.816,12 2,14 2.732,15 1.584,17 1.593,18 1,19 2,20 2,21 5.203,22 2,23 2,24 0.481,25 0.367,26 1.294,27 0.624,28 0.624,29 3.68,30 5.124,31 3.84,33 127.993,35 1,36 1,37 2,40 43.679,41 1.719,42 3.83,43 3.589,44 103.973,45 2.342,47 0.711,50 1.61,51 43.997,52 1,53 2.867,54 1,55 2.244,56 245.226,57 0.787,58 0.787,59 7,60 212.463,61 1,62 3.695,63 40,64 3.367,65 3.367,66 28,67 7.357}
{0 CHEMBL372101,1 1,2 9.11,3 1,4 1,5 1,6 5.847,9 4.722,11 2.5,12 3,14 2.715,15 1.321,17 1.637,18 1,19 4,20 2,21 4.722,22 2,23 2,24 -0.075,25 -0.058,26 0.938,27 -0.141,28 -0.141,29 3.675,30 4.947,31 3.56,33 108.199,35 1,36 1,37 1,40 38.215,41 1.693,42 3.752,43 3.405,44 92.973,45 2.453,47 0.687,50 1.823,51 41.281,52 1,53 2.687,54 1,55 1.858,56 245.998,57 0.778,58 0.778,59 9,60 176.461,61 1,62 3.537,63 33,64 3.258,65 3.258,66 25,67 6.176}
{0 CHEMBL374432,1 1,2 20.029,3 2,4 2,5 0.74,6 5.91,9 4.736,11 2.5,12 1,14 2.604,15 1.06,17 1.518,18 1,19 1,20 2,21 4.736,22 1,23 1,24 -0.327,25 -0.183,26 0.669,27 -0.632,28 -0.632,29 3.475,30 4.971,31 3.918,33 144.643,34 1,35 1,36 1,37 1,40 40.783,41 1.296,42 3.89,43 3.683,44 110.512,45 2.116,47 0.302,48 1,49 1,50 1.308,51 39.537,53 2.857,54 1,55 1.444,56 251.765,57 0.307,58 0.307,59 6,60 194.781,61 1,62 3.78,63 42,64 3.258,65 3.258,66 25,67 4.252}
{0 CHEMBL375425,1 1,2 20.037,3 2,4 2,5 0.673,6 5.891,9 4.736,11 2.594,12 1,14 2.535,15 1.051,17 1.502,18 1,19 1,20 2,21 4.736,22 1,23 1,24 -0.37,25 -0.206,26 0.568,27 -0.672,28 -0.672,29 3.454,30 4.986,31 3.872,33 99.135,34 1,35 1,36 1,37 1,40 40.644,41 1.176,42 3.868,43 3.708,44 110.512,45 2.3,47 0.212,48 1,49 1,50 1.415,51 39.444,53 2.733,54 1,55 1.363,56 290.913,57 0.237,58 0.237,59 6,60 194.535,61 1,62 3.804,63 41,64 3.258,65 3.258,66 25,67 5.31}
{0 CHEMBL381043,1 1,2 9.062,3 1,4 1,5 1,6 5.817,9 4.725,11 2.5,12 2,14 2.715,15 1.322,17 1.593,18 1,19 2,20 2,21 4.725,22 2,23 2,24 -0.076,25 -0.058,26 0.938,27 -0.141,28 -0.141,29 3.679,30 4.958,31 3.547,33 121.698,35 1,36 1,37 2,40 38.215,41 1.715,42 3.713,43 3.376,44 92.973,45 1.823,47 0.706,50 1.058,51 38.943,52 1,53 2.687,54 1,55 2.243,56 222.455,57 0.778,58 0.778,59 9,60 176.461,61 1,62 3.51,63 33,64 3.258,65 3.258,66 25,67 6.519}
{0 CHEMBL382039,1 1,2 9.273,3 1,4 1,5 1.052,6 5.749,9 5.071,11 2.707,12 2,14 2.63,15 0.992,17 1.699,19 2,20 3,21 5.184,22 2,23 2,24 -0.494,25 -0.384,26 0.616,27 -0.861,28 -0.861,29 3.659,30 5.076,31 3.83,33 140.977,35 1,36 1,37 2,40 42.28,41 2.003,42 3.922,43 3.8,44 92.973,45 2.103,47 1,50 1.58,51 42.584,52 2,53 2.8,54 2,55 2.5,56 257.769,57 1,58 1,59 11,60 206.678,61 2,62 3.868,63 39,64 3.332,65 3.332,66 27,67 4.301}
{0 CHEMBL38242,1 1,2 9.687,3 1,4 1,5 1,6 6.054,9 4.944,11 2.998,12 1,14 2.715,15 2.353,17 1.731,18 1,19 1,20 3,21 4.944,22 1,23 1,24 1.269,25 0.849,26 1.854,27 2.275,28 2.275,29 3.716,30 5.12,31 4.078,33 195.506,35 1,36 1,37 2,40 49.174,41 2,42 4.069,43 3.85,44 67.828,45 2.479,47 1,48 1,49 1,50 1.759,51 48.564,52 2,53 2.91,54 1,55 2.5,56 232.624,57 1,58 1,59 11,60 252.66,61 2,62 3.991,63 49,64 3.466,65 3.466,66 31,67 7.42}
{0 CHEMBL383046,1 1,2 9.243,3 1,4 1,5 1,6 5.693,9 4.824,11 2.551,12 2,14 2.63,15 0.965,17 1.681,19 2,20 3,21 4.978,22 2,23 2,24 -0.612,25 -0.449,26 0.552,27 -1.109,28 -1.109,29 3.64,30 5.038,31 3.776,33 138.443,35 1,36 1,37 2,40 40.133,41 2,42 3.851,43 3.714,44 92.973,45 1.827,47 1,50 1.423,51 40.842,52 2,53 2.704,54 2,55 2.5,56 234.226,57 1,58 1,59 12,60 194.698,61 2,62 3.793,63 37,64 3.296,65 3.296,66 26,67 4.699}
{0 CHEMBL383165,1 1,2 9.078,3 1,4 1,5 1.264,6 6.343,9 5.083,11 2.938,12 2,14 2.753,15 2.149,17 1.608,18 1,19 2,20 2,21 5.083,22 2,23 2,24 1.066,25 0.635,26 1.631,27 1.734,28 1.734,29 3.68,30 5.206,31 4.059,33 130.172,35 1,36 1,37 1,40 47.419,41 1.938,42 3.898,43 3.794,44 103.973,45 2.352,47 0.928,50 1.742,51 47.288,52 1,53 2.913,54 1,55 2.248,56 256.997,57 1,58 1,59 6,60 239.992,61 1,62 3.863,63 45,64 3.434,65 3.434,66 30,67 8}
{0 CHEMBL38421,1 1,2 9.691,3 1,4 1,5 1,6 6.077,9 4.969,11 2.998,12 1,14 2.715,15 2.353,17 1.752,18 1,19 1,20 3,21 4.969,22 1,23 1,24 1.269,25 0.854,26 1.856,27 2.275,28 2.275,29 3.717,30 5.148,31 3.983,33 158.507,35 1,36 1,37 2,40 49.174,41 2,42 4.084,43 3.854,44 67.828,45 2.43,47 1,48 1,49 1,50 1.74,51 48.339,52 2,53 2.91,54 1,55 2.5,56 267.937,57 1,58 1,59 11,60 252.66,61 2,62 4.008,63 49,64 3.466,65 3.466,66 31,67 7.62}
{0 CHEMBL38434,1 1,2 9.657,3 1,4 1,5 1.17,6 6.157,9 5.13,11 2.975,12 1,14 2.734,15 2.347,17 1.726,18 1,19 1,20 3,21 5.13,22 1,23 1,24 1.259,25 0.842,26 1.844,27 2.275,28 2.275,29 3.691,30 5.172,31 4.023,33 155.618,35 1,36 1,37 2,40 49.359,41 2.135,42 4.046,43 3.818,44 67.828,45 2.352,47 1.134,48 1,49 1,50 1.688,51 48.61,52 1,53 2.859,54 1,55 2.5,56 232.624,57 1.137,58 1.137,59 11,60 254.496,61 2,62 3.992,63 50,64 3.466,65 3.466,66 31,67 8.16}
{0 CHEMBL38440,5 1.183,6 6.018,9 4.969,11 3.004,12 1,14 2.77,15 2.355,16 1,17 1.729,19 1,20 3,21 4.969,22 1,23 1,24 1.282,25 0.86,26 1.861,27 2.136,28 2.136,29 3.692,30 5.13,31 4.037,33 173.137,40 48.854,41 2,42 4.06,43 3.944,44 36.145,45 2.208,47 1,48 1,49 1,50 1.612,51 48.518,53 2.86,55 2.5,56 248.025,57 1,58 1,59 12,60 253.337,62 4.054,63 49,64 3.466,65 3.466,66 31,67 6.398}
{0 CHEMBL38476,1 1,2 9.668,3 1,4 1,5 1.361,6 6.237,9 4.969,11 3.101,12 1,14 2.715,15 2.5,17 1.748,18 1,19 1,20 3,21 4.969,22 1,23 1,24 1.5,25 1,26 2,27 2.275,28 2.275,29 3.716,30 5.272,31 4.076,33 157.442,35 1,36 1,37 2,40 54.18,41 2.232,42 4.122,43 3.879,44 67.828,45 2.495,47 1.207,48 1,49 1,50 2.076,51 53.136,52 2,53 2.91,54 1,55 2.5,56 232.624,57 1.258,58 1.258,59 11,60 288.429,61 2,62 4.039,63 55,64 3.555,65 3.555,66 34,67 6.638}
{0 CHEMBL38614,1 1,2 9.664,3 1,4 1,5 1.026,6 6.048,9 4.988,11 2.975,12 1,14 2.715,15 2.368,17 1.795,18 1,19 1,20 3,21 4.988,22 1,23 1,24 1.291,25 0.876,26 1.879,27 2.136,28 2.136,29 3.76,30 5.165,31 3.998,33 160.088,35 1,36 1,37 2,40 48.074,41 2,42 3.998,43 3.87,44 78.828,45 2.346,47 1,48 1,49 1,50 1.669,51 47.825,53 2.89,55 2.5,56 255.395,57 1,58 1,59 12,60 249.223,61 2,62 3.978,63 47,64 3.466,65 3.466,66 31,67 7.538}
{0 CHEMBL386159,1 1,2 29.429,3 3,4 3,5 1,6 6.088,9 5.011,11 2.998,12 1,14 2.715,15 2.353,17 1.726,18 1,19 1,20 3,21 5.011,22 1,23 1,24 1.269,25 0.845,26 1.847,27 2.275,28 2.275,29 3.688,30 5.223,31 3.992,33 134.486,34 1,35 1,36 1,37 1,40 49.174,41 2,42 4.016,43 3.749,44 153.195,45 2.454,47 1,48 1,49 1,50 1.745,51 48.408,52 2,53 2.821,54 1,55 2.5,56 282.677,57 1,58 1,59 11,60 252.66,61 1,62 3.905,63 49,64 3.466,65 3.466,66 31,67 8.155}
{0 CHEMBL38620,1 1,2 9.885,3 1,4 1,5 1.183,6 6.14,9 5.134,11 3.113,12 2,14 2.791,15 2.5,17 1.733,18 1,19 1,20 3,21 5.134,22 2,23 2,24 1.5,25 1,26 2,27 2.274,28 2.274,29 3.696,30 5.218,31 4.077,33 163.138,35 1,36 1,37 2,39 3,40 51.583,41 2.155,42 4.128,43 4.002,44 92.973,45 2.317,47 1.155,48 1,49 1,50 1.884,51 51.398,52 2,53 2.867,54 1,55 2.5,56 304.853,57 1.156,58 1.156,59 12,60 275.308,61 2,62 4.13,63 51,64 3.526,65 3.526,66 33,67 6.301}
{0 CHEMBL38639,1 1,2 9.68,3 1,4 1,5 1,6 6.06,9 4.944,11 2.998,12 1,14 2.715,15 2.353,17 1.729,18 1,19 1,20 3,21 4.944,22 1,23 1,24 1.269,25 0.85,26 1.854,27 2.275,28 2.275,29 3.704,30 5.134,31 4.013,33 149.997,35 1,36 1,37 2,40 49.174,41 2,42 4.061,43 3.842,44 67.828,45 2.48,47 1,48 1,49 1,50 1.761,51 48.621,52 2,53 2.91,54 1,55 2.5,56 271.772,57 1,58 1,59 11,60 252.66,61 2,62 3.987,63 49,64 3.466,65 3.466,66 31,67 6.854}
{0 CHEMBL38669,1 1,2 9.442,3 1,4 1,5 1,6 5.668,9 4.777,11 2.631,12 1,14 2.715,15 2.001,17 1.684,18 1,19 1,20 2,21 4.777,22 1,23 1,24 0.735,25 0.444,26 1.41,27 1.334,28 1.334,29 3.692,30 4.951,31 3.841,33 131.187,35 1,36 1,37 2,40 41.57,41 2,42 3.842,43 3.51,44 67.828,45 1.807,47 1,48 1,49 1,50 1.153,51 41.944,52 2,53 2.692,54 1,55 2.5,56 209.081,57 1,58 1,59 9,60 201.554,61 1,62 3.698,63 38,64 3.332,65 3.332,66 27,67 6.678}
{0 CHEMBL386700,1 1,2 19.699,3 2,4 2,5 1,6 6.051,9 4.712,11 2.903,12 1,14 2.54,15 1.284,17 1.474,18 1,19 1,20 2,21 4.712,22 1,23 1,24 -0.156,25 -0.104,26 0.822,27 -0.319,28 -0.319,29 3.435,30 5.093,31 3.976,33 95.534,34 1,35 1,36 1,37 1,40 43.561,41 1.84,42 3.837,43 3.629,44 110.512,45 2.228,47 0.831,48 1,49 1,50 1.661,51 42.14,53 2.726,54 1,55 1.408,56 232.058,57 0.882,58 0.882,59 7,60 216.834,61 1,62 3.722,63 44,64 3.332,65 3.332,66 27,67 6.569}
{0 CHEMBL38692,1 1,2 9.712,3 1,4 1,5 1.181,6 6.185,9 4.969,11 3.018,12 1,14 2.715,15 2.5,17 1.735,18 1,19 1,20 3,21 4.969,22 1,23 1,24 1.5,25 1,26 2,27 2.253,28 2.253,29 3.699,30 5.22,31 4.103,33 157.797,35 1,36 1,37 2,40 51.915,41 2.155,42 4.106,43 3.942,44 67.828,45 2.238,47 1.154,48 1,49 1,50 1.864,51 51.283,52 2,53 2.844,54 1,55 2.5,56 244.395,57 1.155,58 1.155,59 12,60 279.588,61 2,62 4.068,63 53,64 3.526,65 3.526,66 33,67 8.076}
{0 CHEMBL387254,1 1,2 9.563,3 1,4 1,5 1,6 5.399,9 4.787,11 2.5,12 2,14 2.604,15 0.924,17 1.59,19 3,20 2,21 4.86,24 -0.591,25 -0.493,26 0.5,27 -0.909,28 -0.909,29 3.543,30 4.964,31 3.425,33 137.686,40 34.133,41 1.645,42 3.624,43 3.445,44 53.683,45 1.803,47 0.661,50 1.285,51 36.192,53 2.783,55 1.496,56 230.25,57 0.705,58 0.705,59 9,60 155.296,62 3.53,63 30,64 3.178,65 3.178,66 23,67 7.569}
{0 CHEMBL38820,1 1,2 9.356,3 1,4 1,5 1,6 5.725,9 4.725,11 2.631,12 1,14 2.704,15 2.001,16 2,17 1.668,18 2,19 1,20 2,21 4.725,22 1,23 1,24 0.735,25 0.482,26 1.471,27 1.334,28 1.334,29 3.661,30 5.004,31 3.691,33 129.034,35 1,36 1,37 1,40 41.57,41 2,42 3.787,43 3.444,44 77.336,45 1.807,46 1,47 1,48 2,49 2,50 1.153,51 41.944,52 2,53 2.687,54 1,55 2.5,56 206.818,57 1,58 1,59 9,60 201.554,62 3.628,63 38,64 3.332,65 3.332,66 27,67 6.301}
{0 CHEMBL38953,5 1.154,6 5.926,9 5.031,11 3.046,14 2.751,15 2.5,16 3,17 1.729,20 3,21 5.031,24 1.5,25 1,26 2,27 2.136,28 2.136,29 3.692,30 5.165,31 4.1,33 163.253,38 3,40 50.627,41 2.078,42 4.049,43 3.967,45 2.126,47 1.074,48 4,49 4,50 1.621,51 50.356,53 2.86,55 2.5,56 188.338,57 1.096,58 1.096,59 12,60 274.244,62 4.091,63 49,64 3.526,65 3.526,66 33,67 6.301}
{0 CHEMBL38978,1 1,2 9.659,3 1,4 1,5 1.139,6 6.125,9 5.13,11 2.994,12 1,14 2.733,15 2.345,17 1.725,18 1,19 1,20 3,21 5.13,22 1,23 1,24 1.257,25 0.839,26 1.841,27 2.275,28 2.275,29 3.691,30 5.171,31 4.018,33 155.618,35 1,36 1,37 2,40 49.176,41 2.107,42 4.041,43 3.827,44 67.828,45 2.468,47 1.106,48 1,49 1,50 1.749,51 48.483,52 2,53 2.876,54 1,55 2.5,56 232.624,57 1.11,58 1.11,59 11,60 253.399,61 2,62 3.988,63 49,64 3.466,65 3.466,66 31,67 7.301}
{0 CHEMBL38986,1 1,2 9.748,3 1,4 1,5 1,6 5.991,9 4.944,11 2.974,12 1,14 2.715,15 2.344,17 1.73,18 1,19 1,20 3,21 4.944,22 1,23 1,24 1.255,25 0.829,26 1.836,27 2.136,28 2.136,29 3.695,30 5.073,31 4.04,33 150.352,35 1,36 1,37 2,40 47.015,41 2,42 4.044,43 3.839,44 67.828,45 2.205,47 1,48 1,49 1,50 1.612,51 46.838,52 2,53 2.841,54 1,55 2.5,56 283.543,57 1,58 1,59 12,60 241.107,61 2,62 3.995,63 47,64 3.434,65 3.434,66 30,67 7.699}
{0 CHEMBL38997,1 1,2 9.871,3 1,4 1,5 1.461,6 6.116,9 5.094,11 2.996,12 2,14 2.79,15 2.5,16 1,17 1.736,18 1,19 2,20 3,21 5.094,22 2,23 2,24 1.5,25 1,26 2,27 2.242,28 2.242,29 3.699,30 5.226,31 4.075,33 168.112,35 1,36 1,37 2,40 52.177,41 2.154,42 4.13,43 3.996,44 103.973,45 2.236,47 1.154,48 1,49 1,50 1.845,51 52.017,52 2,53 2.856,54 1,55 2.5,56 315.853,57 1.155,58 1.155,59 12,60 276.841,61 2,62 4.117,63 53,64 3.526,65 3.526,66 33,67 6.301}
{0 CHEMBL39128,1 1,2 9.821,3 1,5 1,6 5.887,9 4.942,11 2.635,14 2.715,15 1.882,17 1.729,20 3,21 4.942,24 0.8,25 0.633,26 1.617,27 1.417,28 1.417,29 3.692,30 5.051,31 3.855,33 155.063,40 45.315,41 2,42 4.016,43 3.789,44 42.683,45 1.988,47 1,48 1,49 1,50 1.374,51 44.428,53 2.806,55 2.454,56 242.792,57 1,58 1,59 12,60 227.202,62 3.955,63 45,64 3.401,65 3.401,66 29,67 6.301}
{0 CHEMBL39151,1 1,2 9.662,3 1,4 1,5 1,6 6.053,9 5.089,11 2.974,12 1,14 2.715,15 2.344,17 1.679,18 1,19 1,20 2,21 5.089,22 1,23 1,24 1.255,25 0.836,26 1.838,27 2.136,28 2.136,29 3.64,30 5.125,31 3.964,33 145.639,35 1,36 1,37 2,40 47.015,41 2,42 4.002,43 3.782,44 67.828,45 2.204,47 1,48 2,49 2,50 1.611,51 46.803,52 1,53 2.82,54 1,55 2.5,56 232.624,57 1,58 1,59 7,60 241.107,61 2,62 3.949,63 47,64 3.434,65 3.434,66 30,67 6.699}
{0 CHEMBL39162,1 1,2 9.488,3 1,4 1,5 1,6 5.874,9 4.922,11 2.929,12 1,14 2.715,15 2.267,17 1.727,18 1,19 1,20 3,21 4.922,22 1,23 1,24 1.118,25 0.742,26 1.746,27 1.919,28 1.919,29 3.69,30 5.074,31 3.846,33 153.438,35 1,36 1,37 2,40 44.692,41 2,42 3.943,43 3.648,44 67.828,45 1.904,47 1,48 1,49 1,50 1.484,51 45.247,52 2,53 2.767,54 1,55 2.5,56 220.853,57 1,58 1,59 12,60 225.195,61 1,62 3.808,63 43,64 3.401,65 3.401,66 29,67 8}
{0 CHEMBL39167,1 1,2 9.549,3 1,4 1,5 1,6 5.976,9 5.031,11 2.604,12 1,14 2.715,15 1.332,17 1.625,18 1,19 1,20 2,21 5.031,22 1,23 1,24 0.044,25 0.035,26 1.02,27 0.086,28 0.086,29 3.566,30 5.043,31 3.784,33 121.835,35 1,36 1,37 2,39 2,40 41.324,41 2,42 3.929,43 3.682,44 67.828,45 2.069,47 1,48 1,49 1,50 1.442,51 40.94,52 2,53 2.885,54 1,55 1.699,56 291.479,57 1,58 1,59 8,60 200.57,61 2,62 3.834,63 39,64 3.332,65 3.332,66 27,67 6.301}
{0 CHEMBL39188,1 1,2 9.66,3 1,4 1,5 1,6 6.075,9 4.944,11 2.998,12 1,14 2.715,15 2.353,17 1.725,18 1,19 1,20 3,21 4.944,22 1,23 1,24 1.269,25 0.853,26 1.855,27 2.275,28 2.275,29 3.691,30 5.171,31 3.988,33 155.618,35 1,36 1,37 2,40 49.174,41 2,42 4.041,43 3.822,44 67.828,45 2.479,47 1,48 1,49 1,50 1.759,51 48.585,52 2,53 2.898,54 1,55 2.5,56 232.624,57 1,58 1,59 11,60 252.66,61 2,62 3.979,63 49,64 3.466,65 3.466,66 31,67 6.678}
{0 CHEMBL39191,2 10.451,3 1,4 1,5 1,6 5.811,9 4.851,11 2.632,14 2.715,15 1.551,17 1.729,20 3,21 4.851,24 0.377,25 0.299,26 1.256,27 0.775,28 0.775,29 3.692,30 5.022,31 3.739,33 151.877,40 43.664,41 2,42 3.951,43 3.646,44 42.683,45 1.95,47 1,48 1,49 1,50 1.184,51 43.25,53 2.752,55 2.415,56 219.25,57 1,58 1,59 12,60 214.726,62 3.813,63 43,64 3.367,65 3.367,66 28,67 6.301}
{0 CHEMBL39325,1 1,2 9.661,3 1,4 1,5 1.163,6 6.095,9 5.089,11 2.887,12 1,14 2.715,15 2.303,17 1.716,18 2,19 1,20 2,21 5.089,22 1,23 1,24 1.192,25 0.79,26 1.789,27 2.147,28 2.147,29 3.679,30 5.125,31 3.944,33 145.639,35 1,36 1,37 2,40 47.435,41 2.133,42 4.007,43 3.757,44 67.828,45 2.14,47 1.131,48 2,49 2,50 1.569,51 46.763,52 1,53 2.821,54 1,55 2.5,56 232.624,57 1.136,58 1.136,59 8,60 241.541,61 1,62 3.942,63 48,64 3.434,65 3.434,66 30,67 6.377}
{0 CHEMBL39396,1 1,2 9.69,3 1,4 1,5 1,6 6.099,9 4.905,11 2.888,12 1,14 2.832,15 2,17 1.717,18 1,19 1,20 2,21 4.905,22 1,23 1,24 1,25 0.838,26 1.839,27 2.136,28 2.136,29 3.658,30 5.089,31 3.978,33 118.079,35 1,36 1,37 2,40 47.015,41 2,42 4.115,43 3.868,44 67.828,45 2.207,47 1,48 1,49 1,50 1.632,51 46.665,52 2,53 2.908,54 1,55 2.211,56 315.021,57 1,58 1,59 7,60 241.107,61 2,62 4.038,63 47,64 3.434,65 3.434,66 30,67 7.553}
{0 CHEMBL39397,1 1,2 9.708,3 1,4 1,5 1,6 6.061,9 5.066,11 2.974,12 1,14 2.715,15 2.333,17 1.727,18 1,19 1,20 3,21 5.13,22 1,23 1,24 1.238,25 0.822,26 1.823,27 2.136,28 2.136,29 3.69,30 5.113,31 4.015,33 155.973,35 1,36 1,37 2,40 46.992,41 2,42 4.024,43 3.907,44 67.828,45 2.198,47 1,48 1,49 1,50 1.591,51 46.837,52 2,53 2.842,54 2,55 2.5,56 244.395,57 1,58 1,59 12,60 244.418,61 2,62 4.013,63 47,64 3.434,65 3.434,66 30,67 6.301}
{0 CHEMBL39448,1 1,2 9.7,3 1,4 1,5 1,6 5.955,9 4.944,11 2.887,12 1,14 2.715,15 2.3,17 1.73,18 1,19 1,20 3,21 4.944,22 1,23 1,24 1.187,25 0.796,26 1.796,27 2.136,28 2.136,29 3.692,30 5.051,31 3.865,33 156.328,35 1,36 1,37 2,40 45.123,41 2,42 4.007,43 3.776,44 67.828,45 1.887,47 1,48 1,49 1,50 1.433,51 44.862,52 2,53 2.798,54 1,55 2.5,56 256.166,57 1,58 1,59 13,60 228.313,61 2,62 3.952,63 45,64 3.401,65 3.401,66 29,67 8.77}
{0 CHEMBL39472,1 1,2 9.786,3 1,4 1,5 1.289,6 6.054,9 4.988,11 2.974,12 1,14 2.715,15 2.367,17 1.728,18 1,19 1,20 3,21 4.988,22 1,23 1,24 1.298,25 0.856,26 1.862,27 2.136,28 2.136,29 3.692,30 5.133,31 4.186,33 152.703,35 1,36 1,37 1,40 48.689,41 2,42 4.058,43 3.931,44 67.828,45 2.492,47 1,48 1,49 1,50 1.888,51 51.137,52 2,53 2.842,54 1,55 2.5,56 244.395,57 1,58 1,59 12,60 254.659,61 2,62 4.063,63 49,64 3.466,65 3.466,66 31,67 7.886}
{0 CHEMBL39971,1 1,2 9.668,3 1,4 1,5 1.163,6 6.075,9 5.089,11 2.887,12 1,14 2.734,15 2.303,17 1.716,18 1,19 1,20 2,21 5.089,22 1,23 1,24 1.192,25 0.792,26 1.791,27 2.147,28 2.147,29 3.68,30 5.125,31 3.94,33 145.639,35 1,36 1,37 2,40 47.435,41 2.132,42 4.008,43 3.746,44 67.828,45 2.14,46 1,47 1.13,48 2,49 2,50 1.569,51 46.763,52 1,53 2.836,54 1,55 2.5,56 232.624,57 1.136,58 1.136,59 8,60 241.541,61 2,62 3.948,63 48,64 3.434,65 3.434,66 30,67 7.319}
{0 CHEMBL40093,1 1,2 9.72,3 1,4 1,5 1.065,6 6.098,9 4.988,11 2.974,12 1,14 2.715,15 2.367,17 1.727,18 1,19 1,20 3,21 4.988,22 1,23 1,24 1.298,25 0.868,26 1.87,27 2.136,28 2.136,29 3.69,30 5.168,31 4.093,33 160.088,35 1,36 1,37 1,40 48.689,41 2,42 4.026,43 3.898,44 78.828,45 2.376,46 1,47 1,48 1,49 1,50 1.672,51 48.243,52 2,53 2.84,54 1,55 2.5,56 255.395,57 1,58 1,59 12,60 254.659,61 1,62 4.021,63 49,64 3.466,65 3.466,66 31,67 7.886}
{0 CHEMBL40182,1 1,2 9.748,3 1,4 1,5 1.095,6 5.986,9 4.944,11 2.968,12 1,14 2.715,15 2.448,17 1.73,18 1,19 1,20 3,21 4.944,22 1,23 1,24 1.399,25 0.895,26 1.921,27 2.136,28 2.136,29 3.694,30 5.074,31 4.035,33 150.352,35 1,36 1,37 2,40 47.214,41 2,42 4.051,43 3.856,44 67.828,45 2.058,47 1,48 1,49 1,50 1.561,51 46.886,52 2,53 2.835,54 1,55 2.5,56 283.543,57 1,58 1,59 12,60 242.502,61 2,62 4.002,63 48,64 3.434,65 3.434,66 30,67 6.824}
{0 CHEMBL40220,1 1,2 9.736,3 1,4 1,5 1,6 5.977,9 4.944,11 3.017,12 1,14 2.715,15 2.333,17 1.73,18 1,19 1,20 3,21 4.944,22 1,23 1,24 1.231,25 0.816,26 1.822,27 2.136,28 2.136,29 3.695,30 5.073,31 3.979,33 150.352,35 1,36 1,37 2,40 47.029,41 2,42 4.044,43 3.831,44 67.828,45 2.175,47 1,48 1,49 1,50 1.624,51 46.864,52 2,53 2.862,54 1,55 2.5,56 283.543,57 1,58 1,59 12,60 241.193,61 2,62 3.983,63 47,64 3.434,65 3.434,66 30,67 6.658}
{0 CHEMBL40846,1 1,2 9.766,3 1,4 1,5 1.094,6 6.084,9 4.944,11 2.894,12 1,14 2.715,15 2.446,17 1.73,18 1,19 1,20 3,21 4.944,22 1,23 1,24 1.393,25 0.892,26 1.918,27 2.136,28 2.136,29 3.694,30 5.074,31 4.116,33 150.352,35 1,36 1,37 2,40 47.217,41 2,42 4.054,43 3.814,44 67.828,45 2.198,47 1,48 1,49 1,50 1.531,51 46.91,52 2,53 2.832,54 1,55 2.5,56 283.543,57 1,58 1,59 12,60 242.435,61 1,62 4.009,63 48,64 3.434,65 3.434,66 30,67 7.602}
{0 CHEMBL413583,1 1,2 9.719,3 1,4 1,5 0.242,6 5.464,9 4.663,11 2.065,12 3,14 2.475,15 0.637,16 1,17 1.404,19 4,20 1,21 4.817,22 1,23 1,24 -0.73,25 -0.607,26 0.369,27 -1.042,28 -1.042,29 3.27,30 4.909,31 3.391,33 99.952,40 30.093,41 0.664,42 3.483,43 3.435,44 89.828,45 1.658,47 -0.305,50 1.285,51 29.615,53 2.782,55 0.664,56 301.708,57 -0.314,58 -0.314,59 4,60 130.698,62 3.428,63 27,64 3.045,65 3.045,66 20,67 4.445}
{0 CHEMBL416057,1 1,2 9.626,3 1,4 1,5 0.985,6 6.062,9 4.469,11 2.822,12 1,14 2.66,15 1.331,17 1.585,18 1,19 1,20 2,21 4.469,22 1,23 1,24 -0.078,25 -0.057,26 0.898,27 -0.162,28 -0.162,29 3.53,30 5.064,31 3.874,33 131.882,35 1,36 1,37 2,40 43.572,41 1.853,42 4.036,43 3.721,44 67.828,45 2.218,47 0.851,48 1,49 1,50 1.479,51 43.121,52 3,53 2.699,54 1,55 1.414,56 291.479,57 0.879,58 0.879,59 7,60 214.912,61 2,62 3.927,63 44,64 3.332,65 3.332,66 27,67 7.398}
{0 CHEMBL41719,1 1,2 20.031,3 2,4 2,5 1,6 6.063,9 4.967,11 2.974,12 1,14 2.715,15 2.344,17 1.727,18 1,19 1,20 3,21 4.967,22 1,23 1,24 1.255,25 0.831,26 1.833,27 2.136,28 2.136,29 3.69,30 5.152,31 3.966,33 143.962,34 1,35 1,36 1,37 1,40 47.015,41 2,42 3.985,43 3.721,44 110.512,45 2.237,47 1,48 1,49 1,50 1.619,51 46.891,52 2,53 2.797,54 1,55 2.5,56 251.765,57 1,58 1,59 12,60 241.107,61 1,62 3.887,63 47,64 3.434,65 3.434,66 30,67 7.398}
{0 CHEMBL417722,1 1,2 9.882,3 1,4 1,5 1.404,6 6.236,9 5.294,11 3.278,12 1,14 2.833,15 2.5,17 1.756,18 1,19 1,20 3,21 5.294,22 1,23 1,24 1.5,25 1,26 2,27 2.582,28 2.582,29 3.778,30 5.239,31 4.276,33 168.657,35 1,36 1,37 2,40 56.312,41 2.359,42 4.213,43 4.217,44 67.828,45 2.379,47 1.356,48 1,49 1,50 1.958,51 55.413,52 2,53 2.925,54 2,55 2.671,56 279.708,57 1.365,58 1.365,59 11,60 312.494,61 2,62 4.28,63 58,64 3.584,65 3.584,66 35,67 7.569}
{0 CHEMBL41799,1 1,2 9.646,3 1,4 1,5 1,6 6.006,9 5.003,11 2.961,12 1,14 2.704,15 2.118,17 1.519,18 1,19 1,20 2,21 5.003,22 1,23 1,24 0.927,25 0.506,26 1.462,27 1.372,28 1.372,29 3.701,30 5.059,31 3.954,33 133.366,35 1,36 1,37 2,40 45.306,41 1.943,42 3.95,43 3.73,44 67.828,45 2.206,47 0.935,48 1,49 1,50 1.581,51 45.258,52 2,53 2.737,55 2.28,56 220.853,57 0.975,58 0.975,59 7,60 230.51,61 2,62 3.918,63 44,64 3.401,65 3.401,66 29,67 7.252}
{0 CHEMBL418062,1 1,2 19.441,3 2,4 2,5 1,6 6.031,9 4.988,11 2.974,12 1,14 2.715,15 2.344,17 1.729,18 1,19 1,20 3,21 4.988,22 1,23 1,24 1.255,25 0.84,26 1.841,27 2.136,28 2.136,29 3.691,30 5.129,31 3.948,33 146.852,35 1,36 1,37 2,40 47.015,41 2,42 4.036,43 3.826,44 110.512,45 2.18,47 1,48 1,49 1,50 1.61,51 46.433,52 2,53 2.827,54 1,55 2.5,56 287.078,57 1,58 1,59 12,60 241.107,61 2,62 3.987,63 47,64 3.434,65 3.434,66 30,67 6.301}
{0 CHEMBL418870,5 0.687,6 5.497,7 1,9 4.476,10 1,11 2.369,12 1,14 2.275,15 0.628,17 1.324,19 1,20 1,21 4.476,22 1,23 1,24 -0.753,25 -0.616,26 0.328,27 -1.636,28 -1.636,29 3.273,30 4.875,31 3.282,33 72.614,34 1,39 4,40 35.901,41 1.012,42 3.606,43 3.125,44 25.145,45 1.849,47 0.041,48 1,49 1,50 1.039,51 35.427,53 2.668,55 1.033,56 142.856,57 0.043,58 0.043,59 4,60 162.118,62 3.227,63 32,64 3.178,65 3.178,66 23,67 5.187}
{0 CHEMBL419631,5 0.324,6 5.235,9 4.274,11 2.262,12 1,14 2.523,15 0.5,17 1.364,19 1,20 1,21 4.274,24 -1.045,25 -0.9,27 -2.038,28 -2.038,29 3.283,30 4.774,31 3.343,33 89.966,38 1,39 2,40 30.934,41 0.805,42 3.561,43 3.154,44 9.734,45 1.477,47 -0.102,48 1,49 1,50 1,51 30.548,53 2.658,55 0.59,56 198.072,57 -0.114,58 -0.114,59 4,60 129.817,62 3.375,63 26,64 3.045,65 3.045,66 20,67 4.394}
{0 CHEMBL426299,1 2,2 18.202,3 2,4 2,5 1.51,6 6.267,9 5.269,11 2.895,12 3,14 2.733,15 2.245,17 1.598,18 1,19 3,20 2,21 5.316,22 3,23 3,24 1.067,25 0.627,26 1.622,27 1.95,28 1.95,29 3.681,30 5.274,31 4.039,33 122.612,35 2,36 2,37 4,40 49.344,41 2.103,42 3.938,43 3.737,44 171.801,45 2.541,47 1.1,50 1.875,51 49.481,52 2,53 3.017,54 3,55 2.384,56 301.283,57 1.11,58 1.11,59 7,60 248.821,61 2,62 3.825,63 46,64 3.466,65 3.466,66 31,67 6}
{0 CHEMBL430760,1 1,2 9.755,3 1,4 1,5 1.181,6 6.173,9 5.163,11 3.002,12 1,14 2.828,15 2.498,16 1,17 1.729,18 2,19 1,20 3,21 5.22,22 1,23 1,24 1.484,25 1,26 2,27 2.136,28 2.136,29 3.687,30 5.193,31 4.123,33 163.512,35 1,36 1,37 2,40 50.566,41 2.07,42 4.097,43 4.04,44 67.828,45 2.32,47 1.066,48 1,49 1,50 1.769,51 49.787,52 2,53 2.91,54 2,55 2.5,56 279.708,57 1.086,58 1.086,59 12,60 267.811,61 2,62 4.121,63 51,64 3.497,65 3.497,66 32,67 6.62}
{0 CHEMBL432427,5 0.51,6 5.659,7 1,9 4.436,11 2.385,12 1,14 2.405,15 0.5,17 1.308,19 1,20 1,21 4.436,24 -1,25 -0.7,26 0.055,27 -2.338,28 -2.338,29 3.185,30 4.973,31 3.445,33 80.284,39 6,40 35.093,41 0.976,42 3.55,43 3.248,45 1.773,47 0.011,48 1,49 1,50 0.991,51 32.453,53 2.625,55 0.735,56 117.711,57 0.011,58 0.011,59 4,60 153.937,62 3.386,63 31,64 3.135,65 3.135,66 22,67 4.301}
{0 CHEMBL433445,1 1,2 9.857,3 1,4 1,5 1.185,6 6.018,9 5.012,11 2.976,12 1,14 2.715,15 2.355,17 1.732,18 1,19 1,20 3,21 5.012,22 1,23 1,24 1.275,25 0.851,26 1.854,27 2.136,28 2.136,29 3.702,30 5.109,31 4.07,33 155.593,35 1,36 1,37 2,40 48.591,41 2,42 4.096,43 3.938,44 67.828,45 2.412,47 1,48 1,49 1,50 1.885,51 50.802,52 2,53 2.845,54 1,55 2.5,56 279.708,57 1,58 1,59 12,60 252.506,61 2,62 4.075,63 49,64 3.466,65 3.466,66 31,67 6.569}
{0 CHEMBL435137,1 1,2 9.773,3 1,4 1,5 0.741,6 5.494,9 4.785,11 2.209,12 3,14 2.506,15 0.808,16 1,17 1.404,19 4,20 1,21 4.939,22 1,23 1,24 -0.594,25 -0.554,26 0.398,27 -0.883,28 -0.883,29 3.271,30 4.999,31 3.468,33 92.229,40 34.924,41 1.428,42 3.541,43 3.436,44 89.828,45 1.783,47 0.442,48 1,49 1,50 1.443,51 34.45,53 2.792,55 1.392,56 266.395,57 0.457,58 0.457,59 3,60 158.087,62 3.424,63 30,64 3.178,65 3.178,66 23,67 4.821}
{0 CHEMBL43521,1 1,2 9.476,3 1,4 1,5 0.603,6 5.871,9 4.658,11 2.5,12 1,14 2.653,15 0.743,17 1.494,18 1,19 1,20 2,21 4.658,22 1,23 1,24 -0.847,25 -0.596,26 0.302,27 -1.537,28 -1.537,29 3.444,30 4.898,31 3.74,33 111.697,35 1,36 1,37 2,40 36.241,41 1.025,42 3.729,43 3.509,44 67.828,45 1.803,47 0.045,48 1,49 1,50 1,51 35.919,53 2.687,55 1.331,56 197.31,57 0.047,58 0.047,59 8,60 169.828,61 2,62 3.675,63 36,64 3.178,65 3.178,66 23,67 6.301}
{0 CHEMBL43638,1 1,2 9.689,3 1,4 1,5 1.099,6 6.024,9 5.061,11 2.986,12 1,14 2.658,15 1.417,17 1.537,18 1,19 1,20 3,21 5.163,22 1,23 1,24 0.079,25 0.059,26 1.039,27 0.15,28 0.15,29 3.494,30 5.038,31 3.976,33 135.795,35 1,36 1,37 2,40 44.614,41 2.01,42 3.975,43 3.84,44 67.828,45 2.099,47 1.007,48 1,49 1,50 1.618,51 44.062,53 2.888,54 1,55 2.194,56 220.853,57 1.019,58 1.019,59 10,60 226.946,61 2,62 3.948,63 46,64 3.367,65 3.367,66 28,67 6.301}
{0 CHEMBL43639,1 1,2 19.022,3 2,4 2,5 1.318,6 6.194,9 5.17,11 3.059,12 1,14 2.734,15 2.355,17 1.725,18 1,19 1,20 3,21 5.17,22 1,23 1,24 1.272,25 0.857,26 1.859,27 2.275,28 2.275,29 3.69,30 5.241,31 4.049,33 146.141,35 1,36 1,37 2,40 51.297,41 2.22,42 4.075,43 3.844,44 110.512,45 2.461,47 1.212,48 1,49 1,50 2.128,51 50.241,52 1,53 2.909,54 1,55 2.5,56 263.536,57 1.232,58 1.232,59 10,60 266.629,61 2,62 4.009,63 52,64 3.497,65 3.497,66 32,67 7.959}
{0 CHEMBL437480,5 0.51,6 5.875,7 1,8 1,9 4.668,10 1,11 2.583,13 1,14 2.345,15 0.8,16 4,17 1.209,20 1,21 4.668,24 -0.597,25 -0.468,26 0.47,27 -1.195,28 -1.195,29 3.234,30 4.935,31 3.586,32 1,33 87.433,34 1,38 1,39 3,40 37.699,41 1.159,42 3.617,43 3.315,45 1.944,46 1,47 0.187,48 3,49 3,50 1.147,51 36.626,53 2.538,55 1.074,56 129.482,57 0.194,58 0.194,59 3,60 176.423,62 3.443,63 34,64 3.219,65 3.219,66 24,67 4}
{0 CHEMBL440660,1 1,2 9.553,3 1,4 1,5 1.138,6 6.031,9 5.003,11 2.861,12 1,14 2.715,15 2.111,17 1.674,18 1,19 1,20 2,21 5.003,22 1,23 1,24 0.932,25 0.616,26 1.599,27 1.809,28 1.809,29 3.668,30 5.101,31 3.885,33 125.829,35 1,36 1,37 1,40 46.125,41 2.018,42 3.923,43 3.64,44 67.828,45 2.136,46 1,47 1.008,48 2,49 2,50 1.554,51 45.409,52 1,53 2.801,54 1,55 2.5,56 209.081,57 1.086,58 1.086,59 8,60 229.806,61 1,62 3.852,63 45,64 3.401,65 3.401,66 29,67 6.301}
{0 CHEMBL441276,1 1,2 9.853,3 1,4 1,5 1.52,6 6.148,9 5.236,11 3.046,12 1,14 2.736,15 2.405,17 1.771,18 1,19 1,20 3,21 5.236,22 1,23 1,24 1.358,25 0.951,26 1.953,27 2.275,28 2.275,29 3.735,30 5.206,31 4.129,33 152.576,35 1,36 1,37 2,40 53.841,41 2.387,42 4.191,43 3.987,44 78.828,45 2.561,47 1.378,48 1,49 1,50 2.056,51 53.55,52 2,53 3.034,54 1,55 2.5,56 278.937,57 1.398,58 1.398,59 10,60 291.64,61 2,62 4.139,63 56,64 3.555,65 3.555,66 34,67 7.26}
{0 CHEMBL442030,5 1.876,6 6.233,9 5.402,11 3.281,12 3,14 2.967,15 2.5,16 1,17 1.624,19 3,20 2,21 5.402,22 3,23 3,24 1.5,25 1,26 2,27 2.532,28 2.532,29 3.682,30 5.435,31 4.241,33 150.787,34 3,38 1,40 63.737,41 2.337,42 4.259,43 4.216,44 97.435,45 2.76,46 2,47 1.329,48 1,49 1,50 2.398,51 66.189,53 3.204,55 2.515,56 438.797,57 1.344,58 1.344,59 8,60 368.003,62 4.223,63 56,64 3.761,65 3.761,66 42,67 4.301}
{0 CHEMBL445375,5 1,6 5.664,7 1,9 4.536,10 1,11 2.534,14 2.715,15 1.346,17 1.497,20 2,21 4.536,26 0.939,29 3.604,30 5.028,31 3.61,33 127.046,34 1,40 39.931,41 2,42 3.686,43 3.376,45 1.968,47 1,48 1,49 1,50 1.392,51 41.03,53 2.687,55 2.399,56 105.94,57 1,58 1,59 9,60 191.495,62 3.506,63 36,64 3.296,65 3.296,66 26,67 4.301}
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{0 CHEMBL452392,5 0.651,6 5.629,7 1,8 1,9 4.647,10 1,11 2.583,13 1,14 2.335,15 0.8,16 4,17 1.182,20 1,21 4.647,24 -0.597,25 -0.449,26 0.454,27 -1.195,28 -1.195,29 3.234,30 4.917,31 3.607,32 1,33 78.922,34 1,38 1,39 3,40 37.699,41 1.072,42 3.582,43 3.297,45 1.981,46 1,47 0.151,48 3,49 3,50 1.148,51 37.02,53 2.551,55 1.074,56 133.317,57 0.194,58 0.194,59 3,60 176.423,62 3.354,63 34,64 3.219,65 3.219,66 24,67 4}
{0 CHEMBL452465,5 -0.06,6 4.989,7 1,8 1,9 4.352,10 1,11 2.202,13 1,14 2.048,15 0.5,16 4,17 1.174,20 1,21 4.352,24 -1.221,25 -0.774,27 -2.622,28 -2.622,29 3.233,30 4.679,31 3.224,32 1,33 77.454,34 1,38 1,39 3,40 30.606,41 0.547,42 3.388,43 3.126,45 1.149,46 1,47 -0.276,48 3,49 3,50 0.885,51 30.341,53 2.459,55 0.776,56 145.089,57 -0.345,58 -0.345,59 4,60 130.855,62 3.16,63 25,64 3.045,65 3.045,66 20,67 4}
{0 CHEMBL45691,1 1,2 9.597,3 1,4 1,5 1.193,6 6.121,9 5.07,11 3.004,12 1,14 2.715,15 2.498,16 1,17 1.744,18 2,19 1,20 3,21 5.07,22 1,23 1,24 1.482,25 1,26 2,27 2.136,28 2.136,29 3.7,30 5.193,31 3.98,33 162.623,35 1,36 1,37 2,40 49.446,41 2.072,42 4.049,43 3.78,44 78.828,45 2.42,47 1.06,48 1,49 1,50 1.851,51 49.464,52 1,53 2.91,54 2,55 2.5,56 278.937,57 1.101,58 1.101,59 12,60 255.475,61 2,62 3.922,63 48,64 3.497,65 3.497,66 32,67 6.699}
{0 CHEMBL48244,1 1,2 9.872,3 1,4 1,5 1.527,6 6.259,9 5.402,11 3.004,12 1,14 2.86,15 2.525,16 1,17 1.74,18 2,19 1,20 3,21 5.441,22 1,23 1,24 1.526,25 1.102,26 2.105,27 2.792,28 2.792,29 3.752,30 5.23,31 4.263,33 155.999,35 1,36 1,37 2,40 56.538,41 2.414,42 4.233,43 4.222,44 67.828,45 2.467,47 1.414,48 1,49 1,50 1.869,51 55.158,52 2,53 2.968,54 2,55 2.698,56 303.25,57 1.414,58 1.414,59 10,60 310.652,61 2,62 4.299,63 58,64 3.584,65 3.584,66 35,67 7.602}
{0 CHEMBL483161,1 1,2 9.33,3 1,4 1,5 1.172,6 5.843,9 5.042,11 2.81,12 2,14 2.694,15 1.432,17 1.637,19 3,20 2,21 5.042,22 1,23 1,24 -0.381,25 -0.208,26 0.724,27 -0.371,28 -0.371,29 3.599,30 5.06,31 3.838,33 128.406,40 39.22,41 1.384,42 3.792,43 3.593,44 78.828,45 2.275,47 0.434,50 1.652,51 40.94,53 2.963,55 1.549,56 271.001,57 0.496,58 0.496,59 7,60 183.769,62 3.718,63 38,64 3.258,65 3.258,66 25,67 6.699}
{0 CHEMBL483552,1 1,2 9.302,3 1,4 1,5 1.167,6 5.746,9 4.993,11 2.81,12 2,14 2.693,15 1.08,17 1.637,19 3,20 2,21 4.993,22 1,23 1,24 -0.405,25 -0.214,26 0.598,27 -0.537,28 -0.537,29 3.6,30 4.981,31 3.831,33 115.78,40 37.942,41 1.166,42 3.756,43 3.455,44 67.828,45 2.273,47 0.208,50 1.602,51 39.809,53 2.963,55 1.463,56 263.837,57 0.246,58 0.246,59 7,60 172.951,62 3.587,63 36,64 3.219,65 3.219,66 24,67 6.745}
{0 CHEMBL483994,1 1,2 9.286,3 1,4 1,5 1,6 5.685,9 4.765,11 2.627,12 2,14 2.692,15 0.819,17 1.637,19 3,20 2,21 4.765,22 1,23 1,24 -0.7,25 -0.414,26 0.376,27 -1.331,28 -1.331,29 3.599,30 4.956,31 3.68,33 121.756,40 35.657,41 1.136,42 3.691,43 3.392,44 67.828,45 1.891,47 0.182,50 1.412,51 37.855,53 2.763,55 1.448,56 236.459,57 0.214,58 0.214,59 8,60 160.633,62 3.521,63 33,64 3.178,65 3.178,66 23,67 6.495}
{0 CHEMBL483995,1 1,2 9.307,3 1,4 1,5 1.116,6 5.728,9 4.928,11 2.591,12 2,14 2.705,15 1.313,17 1.638,19 3,20 2,21 4.928,22 1,23 1,24 -0.325,25 -0.254,26 0.711,27 -0.464,28 -0.464,29 3.597,30 5.063,31 3.547,33 136.916,40 38.407,41 1.936,42 3.767,43 3.55,44 78.828,45 2.391,47 0.925,50 1.412,51 40.259,53 2.78,55 1.53,56 267.166,57 1,58 1,59 8,60 177.729,62 3.67,63 35,64 3.258,65 3.258,66 25,67 6.886}
{0 CHEMBL484531,1 1,2 9.266,3 1,4 1,5 1,6 5.62,9 4.765,11 2.607,12 2,14 2.692,15 1.028,17 1.636,19 3,20 2,21 4.765,22 1,23 1,24 -0.57,25 -0.324,26 0.552,27 -0.798,28 -0.798,29 3.597,30 4.956,31 3.51,33 121.756,40 35.82,41 1.04,42 3.696,43 3.304,44 67.828,45 2.207,47 0.084,50 1.412,51 37.612,53 2.772,55 1.372,56 236.459,57 0.095,58 0.095,59 8,60 159.476,62 3.492,63 33,64 3.178,65 3.178,66 23,67 6.886}
{0 CHEMBL484594,1 1,2 9.318,3 1,4 1,5 1.32,6 5.803,9 4.765,11 2.811,12 2,14 2.704,15 1.133,17 1.637,19 3,20 2,21 4.765,22 1,23 1,24 -0.403,25 -0.213,26 0.648,27 -0.473,28 -0.473,29 3.6,30 5.005,31 3.962,33 109.804,40 40.051,41 1.217,42 3.818,43 3.515,44 67.828,45 2.623,47 0.255,50 1.887,51 41.778,53 3.06,55 1.481,56 291.214,57 0.316,58 0.316,59 6,60 185.849,62 3.649,63 39,64 3.258,65 3.258,66 25,67 4.783}
{0 CHEMBL484595,1 1,2 9.299,3 1,4 1,5 1.131,6 5.73,9 4.993,11 2.804,12 2,14 2.693,15 0.946,17 1.637,19 3,20 2,21 4.993,22 1,23 1,24 -0.504,25 -0.254,26 0.45,27 -0.886,28 -0.886,29 3.6,30 4.98,31 3.821,33 115.78,40 37.753,41 1.136,42 3.742,43 3.46,44 67.828,45 2.559,47 0.182,50 1.568,51 39.889,53 2.962,55 1.448,56 263.837,57 0.214,58 0.214,59 7,60 171.934,62 3.575,63 35,64 3.219,65 3.219,66 24,67 5.818}
{0 CHEMBL484602,1 1,2 9.27,3 1,4 1,5 1.368,6 6.098,9 4.998,11 2.852,12 2,14 2.694,15 1.38,17 1.642,19 3,20 2,21 4.998,22 1,23 1,24 -0.423,25 -0.24,26 0.718,27 -0.431,28 -0.431,29 3.603,30 5.14,31 3.952,33 123.225,40 42.961,41 1.965,42 3.824,43 3.666,44 67.828,45 2.686,47 0.957,50 1.581,51 43.841,53 2.962,55 1.542,56 224.688,57 1,58 1,59 7,60 211.172,62 3.742,63 41,64 3.332,65 3.332,66 27,67 4.517}
{0 CHEMBL484780,1 1,2 9.294,3 1,4 1,5 1.136,6 5.741,9 4.993,11 2.855,12 2,14 2.692,15 1.041,17 1.637,19 3,20 2,21 4.993,22 1,23 1,24 -0.509,25 -0.255,26 0.573,27 -0.813,28 -0.813,29 3.6,30 4.981,31 3.937,33 115.78,40 37.929,41 1.098,42 3.761,43 3.398,44 67.828,45 2.327,47 0.144,50 1.566,51 39.6,53 2.962,55 1.446,56 263.837,57 0.172,58 0.172,59 7,60 173.011,62 3.608,63 36,64 3.219,65 3.219,66 24,67 7.658}
{0 CHEMBL48531,1 1,2 9.903,3 1,4 1,5 1.495,6 6.289,9 5.322,11 3.223,12 1,14 2.835,15 2.5,16 1,17 1.725,18 2,19 1,20 3,21 5.322,22 1,23 1,24 1.5,25 1,26 2,27 2.402,28 2.402,29 3.73,30 5.279,31 4.347,33 160.115,35 1,36 1,37 2,40 57.5,41 2.334,42 4.232,43 4.282,44 78.828,45 2.659,47 1.327,48 1,49 1,50 2.129,51 56.744,52 2,53 2.965,54 2,55 2.536,56 314.25,57 1.349,58 1.349,59 10,60 324.733,61 2,62 4.321,63 59,64 3.611,65 3.611,66 36,67 7.658}
{0 CHEMBL48753,1 1,2 9.439,3 1,4 1,5 0.68,6 5.927,9 4.712,11 2.5,12 1,14 2.658,15 1.046,16 1,17 1.511,18 2,19 1,20 2,21 4.712,22 1,23 1,24 -0.366,25 -0.258,26 0.626,27 -0.706,28 -0.706,29 3.46,30 4.962,31 3.767,33 115.812,35 1,36 1,37 2,40 37.439,41 1.205,42 3.696,43 3.487,44 78.828,45 2.003,47 0.253,48 1,49 1,50 1.213,51 37.247,53 2.688,54 1,55 1.331,56 208.31,57 0.277,58 0.277,59 8,60 177.121,61 2,62 3.59,63 36,64 3.219,65 3.219,66 24,67 6}
{0 CHEMBL48928,1 1,2 9.882,3 1,4 1,5 1.45,6 6.223,9 5.273,11 3.118,12 1,14 2.833,15 2.5,17 1.814,18 1,19 1,20 4,21 5.354,22 1,23 1,24 1.5,25 1.006,26 2.008,27 2.54,28 2.54,29 3.781,30 5.228,31 4.259,33 180.071,35 1,36 1,37 2,40 55.338,41 2.406,42 4.221,43 4.212,44 67.828,45 2.345,47 1.401,48 1,49 1,50 1.757,51 54.873,52 2,53 2.938,54 2,55 2.723,56 267.937,57 1.411,58 1.411,59 14,60 310.192,61 2,62 4.283,63 58,64 3.584,65 3.584,66 35,67 7.585}
{0 CHEMBL49089,1 1,2 9.882,3 1,4 1,5 1.853,6 6.433,9 5.459,11 3.343,12 1,14 2.876,15 2.672,17 1.776,18 1,19 1,20 3,21 5.459,22 1,23 1,24 1.751,25 1.183,26 2.188,27 3.21,28 3.21,29 3.807,30 5.381,31 4.428,33 170.126,35 1,36 1,37 2,40 63.835,41 2.515,42 4.294,43 4.31,44 67.828,45 2.652,47 1.489,48 1,49 1,50 2.139,51 61.967,52 2,53 3.206,54 2,55 2.831,56 267.937,57 1.525,58 1.525,59 10,60 367.384,61 2,62 4.361,63 66,64 3.689,65 3.689,66 39,67 7.638}
{0 CHEMBL49129,1 1,2 9.632,3 1,4 1,5 1.197,6 6.12,9 5.107,11 3,12 1,14 2.732,15 2.451,16 1,17 1.717,18 2,19 1,20 3,21 5.17,22 1,23 1,24 1.414,25 0.988,26 1.996,27 2.136,28 2.136,29 3.672,30 5.165,31 4.029,33 160.088,35 1,36 1,37 2,40 48.196,41 2,42 4,43 3.826,44 78.828,45 2.339,47 1,48 1,49 1,50 1.777,51 48.072,52 2,53 2.875,54 2,55 2.5,56 255.395,57 1.026,58 1.026,59 12,60 251.028,61 2,62 3.931,63 47,64 3.466,65 3.466,66 31,67 7.678}
{0 CHEMBL49214,1 1,2 9.885,3 1,4 1,5 1.661,6 6.302,9 5.473,11 3.004,12 1,14 2.864,15 2.525,16 1,17 1.725,18 2,19 1,20 3,21 5.473,22 1,23 1,24 1.526,25 1.102,26 2.105,27 2.793,28 2.793,29 3.731,30 5.279,31 4.32,33 160.115,35 1,36 1,37 2,40 57.989,41 2.462,42 4.237,43 4.259,44 78.828,45 2.51,47 1.437,48 1,49 1,50 1.954,51 56.663,52 1,53 3.063,54 2,55 2.703,56 314.25,57 1.49,58 1.49,59 10,60 323.584,61 2,62 4.33,63 60,64 3.611,65 3.611,66 36,67 7.523}
{0 CHEMBL492520,5 -0.068,6 4.965,7 1,8 1,9 4.352,10 1,11 2.202,13 1,14 2.051,15 0.5,16 4,17 1.174,20 1,21 4.352,24 -1.221,25 -0.747,27 -2.622,28 -2.622,29 3.233,30 4.658,31 3.382,32 1,33 122.962,34 1,38 1,39 3,40 30.606,41 0.542,42 3.404,43 3.137,45 1.149,46 1,47 -0.253,48 3,49 3,50 0.881,51 30.287,53 2.509,55 0.776,56 105.94,57 -0.345,58 -0.345,59 4,60 130.855,62 3.166,63 25,64 3.045,65 3.045,66 20,67 4}
{0 CHEMBL492529,5 0.51,6 5.427,7 1,8 1,9 4.389,10 1,11 2.5,13 1,14 2.283,15 0.741,16 4,17 1.189,20 1,21 4.389,24 -0.751,25 -0.579,26 0.368,27 -1.531,28 -1.531,29 3.234,30 4.89,31 3.346,32 1,33 84.898,34 1,38 1,39 3,40 35.51,41 0.985,42 3.504,43 3.184,45 1.82,46 1,47 0.037,48 3,49 3,50 1,51 34.77,53 2.498,55 0.97,56 105.94,57 0.039,58 0.039,59 4,60 162.062,62 3.276,63 31,64 3.178,65 3.178,66 23,67 4}
{0 CHEMBL492530,5 0.644,6 5.683,7 1,8 1,9 4.453,10 1,11 2.5,13 1,14 2.331,15 0.815,16 4,17 1.179,20 1,21 4.453,24 -0.579,25 -0.437,26 0.476,27 -1.16,28 -1.16,29 3.233,30 4.949,31 3.546,32 1,33 89.014,34 1,38 1,39 3,40 36.486,41 1.147,42 3.484,43 3.259,44 11,45 1.965,46 1,47 0.209,48 3,49 3,50 1,51 35.991,53 2.637,55 1.093,56 116.94,57 0.232,58 0.232,59 4,60 169.875,62 3.391,63 30,64 3.219,65 3.219,66 24,67 4}
{0 CHEMBL492719,5 0.146,6 5.175,7 1,8 1,9 4.647,10 1,11 2.202,13 1,14 2.254,15 0.717,16 4,17 1.203,20 1,21 4.647,24 -0.84,25 -0.615,26 0.289,27 -1.741,28 -1.741,29 3.234,30 4.79,31 3.214,32 1,33 85.608,34 1,38 1,39 3,40 32.661,41 0.737,42 3.472,43 3.176,45 1.863,46 1,47 -0.164,48 3,49 3,50 0.862,51 32.029,53 2.457,55 0.861,56 129.482,57 -0.181,58 -0.181,59 3,60 142.173,62 3.23,63 28,64 3.091,65 3.091,66 21,67 4}
{0 CHEMBL492720,5 0.51,6 5.529,7 1,8 1,9 4.647,10 1,11 2.597,13 1,14 2.289,15 0.86,16 4,17 1.189,20 1,21 4.647,24 -0.573,25 -0.423,26 0.483,27 -1.116,28 -1.116,29 3.234,30 4.963,31 3.406,32 1,33 84.543,34 1,38 1,39 3,40 37.752,41 1.013,42 3.541,43 3.211,45 1.951,46 1,47 0.068,48 3,49 3,50 1.146,51 36.711,53 2.522,55 1.069,56 94.169,57 0.074,58 0.074,59 3,60 175.118,62 3.297,63 34,64 3.219,65 3.219,66 24,67 4}
{0 CHEMBL49328,1 1,2 9.467,3 1,4 1,5 0.646,6 5.909,7 1,9 4.765,11 2.5,12 1,14 2.658,15 1.046,17 1.515,18 1,19 1,20 2,21 4.765,22 1,23 1,24 -0.366,25 -0.265,26 0.648,27 -0.706,28 -0.706,29 3.467,30 4.956,31 3.757,33 110.839,35 1,36 1,37 2,40 37.439,41 1.226,42 3.726,43 3.521,44 67.828,45 1.957,47 0.26,48 1,49 1,50 1.166,51 37.181,53 2.688,54 1,55 1.331,56 197.31,57 0.277,58 0.277,59 8,60 177.121,61 2,62 3.633,63 36,64 3.219,65 3.219,66 24,67 6.699}
{0 CHEMBL49331,1 1,2 9.807,3 1,4 1,5 1.407,6 6.181,9 5.246,11 3.049,12 1,14 2.832,15 2.5,16 2,17 1.743,18 2,19 1,20 3,21 5.246,22 1,23 1,24 1.5,25 1,26 2,27 2.279,28 2.279,29 3.752,30 5.214,31 4.201,33 155.789,35 1,36 1,37 2,40 54.108,41 2.328,42 4.118,43 4.04,44 67.828,45 2.351,47 1.318,48 2,49 2,50 1.754,51 53.517,52 2,53 2.91,54 2,55 2.602,56 244.395,57 1.349,58 1.349,59 11,60 295.917,61 2,62 4.133,63 55,64 3.555,65 3.555,66 34,67 7.149}
{0 CHEMBL49516,1 1,2 9.602,3 1,4 1,5 1.143,6 6.103,9 4.988,11 3,12 1,14 2.715,15 2.453,16 1,17 1.717,18 2,19 1,20 3,21 4.988,22 1,23 1,24 1.416,25 0.989,26 1.996,27 2.136,28 2.136,29 3.672,30 5.165,31 3.988,33 160.088,35 1,36 1,37 2,40 48.205,41 2,42 4,43 3.763,44 78.828,45 2.346,47 1,48 1,49 1,50 1.81,51 47.993,52 1,53 2.895,54 1,55 2.5,56 255.395,57 1.024,58 1.024,59 12,60 248.012,61 2,62 3.905,63 47,64 3.466,65 3.466,66 31,67 6}
{0 CHEMBL49569,1 1,2 9.63,3 1,4 1,5 1.121,6 6.086,7 1,9 5.031,11 3,12 1,14 2.715,15 2.453,17 1.724,18 1,19 1,20 3,21 5.031,22 1,23 1,24 1.416,25 1,26 2,27 2.136,28 2.136,29 3.682,30 5.16,31 3.977,33 155.115,35 1,36 1,37 2,40 48.205,41 2.005,42 4.022,43 3.795,44 67.828,45 2.322,47 1,48 1,49 1,50 1.788,51 47.96,52 1,53 2.908,54 1,55 2.5,56 244.395,57 1.024,58 1.024,59 12,60 248.012,61 2,62 3.937,63 47,64 3.466,65 3.466,66 31,67 6.367}
{0 CHEMBL49697,1 1,2 9.83,3 1,4 1,5 1.624,6 6.296,9 5.436,11 3.004,12 1,14 2.833,15 2.525,16 1,17 1.72,18 2,19 1,20 3,21 5.436,22 1,23 1,24 1.526,25 1.101,26 2.104,27 2.792,28 2.792,29 3.729,30 5.251,31 4.278,33 153.109,35 1,36 1,37 2,40 56.538,41 2.383,42 4.192,43 4.161,44 67.828,45 2.513,47 1.36,48 1,49 1,50 1.931,51 55.367,52 1,53 2.91,54 2,55 2.698,56 267.937,57 1.414,58 1.414,59 10,60 310.652,61 2,62 4.242,63 58,64 3.584,65 3.584,66 35,67 7.62}
{0 CHEMBL49840,1 1,2 9.926,3 1,4 1,5 1.657,6 6.332,9 5.491,11 3.324,12 1,14 2.895,15 2.671,17 1.758,18 1,19 1,20 3,21 5.491,22 1,23 1,24 1.75,25 1.18,26 2.184,27 2.849,28 2.849,29 3.779,30 5.318,31 4.383,33 175.308,35 1,36 1,37 2,40 60.228,41 2.462,42 4.274,43 4.328,44 78.828,45 2.449,47 1.437,48 1,49 1,50 2.074,51 58.506,52 1,53 3.063,54 2,55 2.801,56 314.25,57 1.491,58 1.491,59 10,60 340.836,61 2,62 4.38,63 63,64 3.638,65 3.638,66 37,67 7.398}
{0 CHEMBL49913,1 1,2 9.841,3 1,4 1,5 1.699,6 6.407,9 5.441,11 3.204,12 1,14 2.846,15 2.574,16 1,17 1.742,18 2,19 1,20 3,21 5.441,22 1,23 1,24 1.603,25 1.126,26 2.14,27 3.189,28 3.189,29 3.756,30 5.344,31 4.371,33 154.934,35 1,36 1,37 2,40 61.495,41 2.507,42 4.258,43 4.243,44 67.828,45 2.671,47 1.482,48 1,49 1,50 2.183,51 59.979,52 2,53 3.135,54 2,55 2.744,56 267.937,57 1.517,58 1.517,59 10,60 349.692,61 2,62 4.308,63 63,64 3.664,65 3.664,66 38,67 7.62}
{0 CHEMBL499296,5 0.098,6 5.01,7 1,8 1,9 4.638,10 1,11 2.19,13 1,14 2.042,15 0.681,16 4,17 1.173,20 1,21 4.638,24 -0.951,25 -0.682,26 0.226,27 -2.004,28 -2.004,29 3.233,30 4.679,31 3.224,32 1,33 77.454,34 1,38 1,39 3,40 30.591,41 0.507,42 3.388,43 3.144,45 1.266,46 1,47 -0.258,48 3,49 3,50 0.821,51 29.95,53 2.45,55 0.856,56 145.089,57 -0.4,58 -0.4,59 4,60 131.446,62 3.186,63 25,64 3.045,65 3.045,66 20,67 4}
{0 CHEMBL50279,1 1,2 9.879,3 1,4 1,5 1.655,6 6.275,9 5.473,11 3.025,12 1,14 2.849,15 2.525,16 1,17 1.726,18 2,19 1,20 3,21 5.473,22 1,23 1,24 1.526,25 1.094,26 2.097,27 2.563,28 2.563,29 3.731,30 5.279,31 4.284,33 160.115,35 1,36 1,37 2,40 57.803,41 2.462,42 4.232,43 4.224,44 78.828,45 2.589,47 1.444,48 1,49 1,50 2.066,51 56.716,52 2,53 3.07,54 2,55 2.65,56 314.25,57 1.474,58 1.474,59 10,60 321.358,61 2,62 4.297,63 59,64 3.611,65 3.611,66 36,67 7.469}
{0 CHEMBL50441,1 1,2 9.66,3 1,4 1,5 1.158,6 6.098,7 1,9 5.147,11 3,12 1,14 2.763,15 2.451,17 1.723,18 1,19 1,20 3,21 5.208,22 1,23 1,24 1.414,25 1,26 2,27 2.136,28 2.136,29 3.681,30 5.16,31 4.017,33 155.115,35 1,36 1,37 2,40 48.196,41 2.005,42 4.022,43 3.864,44 67.828,45 2.313,47 1,48 1,49 1,50 1.751,51 48.044,52 2,53 2.893,54 2,55 2.5,56 244.395,57 1.026,58 1.026,59 12,60 251.028,61 2,62 3.967,63 47,64 3.466,65 3.466,66 31,67 7.081}
{0 CHEMBL50494,1 1,2 9.825,3 1,4 1,5 1.387,6 6.179,9 5.283,11 3.049,12 1,14 2.833,15 2.5,17 1.755,18 1,19 1,20 3,21 5.283,22 1,23 1,24 1.5,25 1,26 2,27 2.279,28 2.279,29 3.774,30 5.208,31 4.191,33 160.261,35 1,36 1,37 2,40 54.108,41 2.341,42 4.152,43 4.084,44 67.828,45 2.343,47 1.337,48 1,49 1,50 1.753,51 53.571,52 2,53 2.91,54 2,55 2.602,56 244.395,57 1.349,58 1.349,59 11,60 295.917,61 2,62 4.178,63 55,64 3.555,65 3.555,66 34,67 6.886}
{0 CHEMBL50499,1 1,2 9.823,3 1,4 1,5 1.407,6 6.182,9 5.283,11 3.049,12 1,14 2.833,15 2.5,16 1,17 1.747,18 2,19 1,20 3,21 5.283,22 1,23 1,24 1.5,25 1,26 2,27 2.279,28 2.279,29 3.769,30 5.205,31 4.195,33 166.123,35 1,36 1,37 2,40 54.108,41 2.334,42 4.146,43 4.088,44 67.828,45 2.351,47 1.326,48 1,49 1,50 1.754,51 53.517,52 2,53 2.91,54 2,55 2.602,56 256.166,57 1.349,58 1.349,59 11,60 295.917,61 2,62 4.177,63 55,64 3.555,65 3.555,66 34,67 8.347}
{0 CHEMBL505315,1 1,2 9.279,3 1,4 1,5 1,6 5.668,9 4.765,11 2.821,12 2,14 2.703,15 1.223,17 1.637,19 3,20 2,21 4.765,22 1,23 1,24 -0.444,25 -0.256,26 0.678,27 -0.507,28 -0.507,29 3.598,30 4.981,31 3.675,33 115.78,40 37.863,41 1.075,42 3.763,43 3.378,44 67.828,45 2.404,47 0.156,50 1.533,51 39.893,53 2.962,55 1.441,56 263.837,57 0.233,58 0.233,59 7,60 171.285,62 3.547,63 36,64 3.219,65 3.219,66 24,67 6.699}
{0 CHEMBL51082,1 1,2 9.841,3 1,4 1,5 1.471,6 6.205,9 5.273,11 3.003,12 1,14 2.833,15 2.5,16 1,17 1.723,18 2,19 1,20 3,21 5.273,22 1,23 1,24 1.5,25 1,26 2,27 2.279,28 2.279,29 3.729,30 5.197,31 4.209,33 153.465,35 1,36 1,37 2,40 54.108,41 2.334,42 4.173,43 4.14,44 67.828,45 2.373,47 1.326,48 1,49 1,50 1.78,51 53.551,52 2,53 2.91,54 2,55 2.526,56 279.708,57 1.349,58 1.349,59 11,60 295.917,61 2,62 4.223,63 55,64 3.555,65 3.555,66 34,67 7.824}
{0 CHEMBL51243,1 1,2 9.825,3 1,4 1,5 1.486,6 6.312,9 5.273,11 3.221,12 1,14 2.833,15 2.5,16 1,17 1.72,18 2,19 1,20 3,21 5.273,22 1,23 1,24 1.5,25 1,26 2,27 2.38,28 2.38,29 3.729,30 5.25,31 4.315,33 153.109,35 1,36 1,37 2,40 56.022,41 2.334,42 4.188,43 4.172,44 67.828,45 2.66,47 1.327,48 1,49 1,50 2.128,51 55.428,52 2,53 2.911,54 2,55 2.535,56 267.937,57 1.349,58 1.349,59 10,60 311.259,61 2,62 4.25,63 57,64 3.584,65 3.584,66 35,67 7.523}
{0 CHEMBL519160,1 1,2 9.25,3 1,4 1,5 1,6 5.542,9 4.536,11 2.5,12 2,14 2.689,15 0.772,17 1.636,19 3,20 2,21 4.536,22 1,23 1,24 -0.924,25 -0.663,26 0.36,27 -1.532,28 -1.532,29 3.595,30 4.93,31 3.296,33 127.731,40 33.615,41 0.995,42 3.627,43 3.257,44 67.828,45 1.824,47 0.031,50 1.191,51 35.699,53 2.687,55 1.313,56 209.081,57 0.033,58 0.033,59 9,60 147.525,62 3.419,63 30,64 3.135,65 3.135,66 22,67 7.503}
{0 CHEMBL51927,1 1,2 9.621,3 1,4 1,5 1.285,6 6.134,9 5.182,11 3.003,12 1,14 2.825,15 2.498,16 1,17 1.741,18 2,19 1,20 3,21 5.241,22 1,23 1,24 1.481,25 1,26 2,27 2.136,28 2.136,29 3.697,30 5.193,31 4.023,33 162.623,35 1,36 1,37 2,40 49.444,41 2.08,42 4.049,43 3.84,44 78.828,45 2.412,47 1.065,48 1,49 1,50 1.827,51 49.526,52 2,53 2.91,54 2,55 2.5,56 278.937,57 1.12,58 1.12,59 12,60 258.299,61 2,62 3.958,63 48,64 3.497,65 3.497,66 32,67 6.481}
{0 CHEMBL520008,1 1,2 9.292,3 1,4 1,5 1.116,6 5.679,9 4.993,11 2.749,12 2,14 2.691,15 0.969,17 1.637,19 3,20 2,21 4.993,22 1,23 1,24 -0.518,25 -0.257,26 0.506,27 -0.91,28 -0.91,29 3.601,30 4.98,31 3.751,33 115.78,40 37.739,41 1.037,42 3.747,43 3.448,44 67.828,45 2.382,47 0.077,50 1.443,51 39.613,53 2.96,55 1.383,56 263.837,57 0.085,58 0.085,59 7,60 171.969,62 3.577,63 35,64 3.219,65 3.219,66 24,67 6.721}
{0 CHEMBL520306,1 1,2 9.272,3 1,4 1,5 1.383,6 6.111,9 4.998,11 2.861,12 2,14 2.694,15 1.419,17 1.641,19 3,20 2,21 4.998,22 1,23 1,24 -0.26,25 -0.145,26 0.736,27 -0.329,28 -0.329,29 3.602,30 5.141,31 3.962,33 123.225,40 43.145,41 1.965,42 3.837,43 3.661,44 67.828,45 2.639,47 0.957,50 1.604,51 43.778,53 2.963,55 1.551,56 224.688,57 1,58 1,59 7,60 212.313,62 3.752,63 42,64 3.332,65 3.332,66 27,67 6.77}
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{0 CHEMBL582694,5 0.184,6 5.258,7 1,8 1,9 4.329,10 1,11 2.468,13 1,14 2.547,15 0.737,16 4,17 1.325,20 1,21 4.329,24 -0.756,25 -0.584,26 0.363,27 -1.516,28 -1.516,29 3.237,30 4.822,31 3.276,32 1,33 93.502,34 1,38 1,39 3,40 34.015,41 0.973,42 3.581,43 3.269,45 1.445,46 1,47 0.024,48 3,49 3,50 1,51 32.924,53 2.545,55 0.962,56 176.567,57 0.026,58 0.026,59 4,60 150.24,62 3.413,63 29,64 3.135,65 3.135,66 22,67 4}
{0 CHEMBL586157,5 0.648,6 5.168,7 1,8 1,9 4.708,10 1,11 2.243,13 1,14 2.325,15 0.887,16 4,17 1.498,20 1,21 4.822,24 -0.564,25 -0.417,26 0.501,27 -1.095,28 -1.095,29 3.334,30 4.755,31 3.262,32 1,33 78.451,34 1,38 1,39 3,40 35.066,41 1.456,42 3.625,43 3.295,45 1.807,46 1,47 0.46,48 3,49 3,50 1.122,51 34.984,53 2.464,55 1.225,56 164.795,57 0.464,58 0.464,59 3,60 159.565,62 3.362,63 29,64 3.178,65 3.178,66 23,67 4}
{0 CHEMBL600255,5 0.17,6 5.268,7 1,8 1,9 4.391,10 1,11 2.468,13 1,14 2.547,15 0.737,16 4,17 1.457,20 1,21 4.391,24 -0.756,25 -0.588,26 0.371,27 -1.516,28 -1.516,29 3.376,30 4.802,31 3.272,32 1,33 94.789,34 1,38 1,39 3,40 34.015,41 0.98,42 3.623,43 3.288,45 1.294,46 1,47 0.024,48 3,49 3,50 1,51 33.024,53 2.545,55 0.962,56 188.338,57 0.026,58 0.026,59 4,60 150.24,62 3.432,63 29,64 3.135,65 3.135,66 22,67 4}
{0 CHEMBL67656,5 0.678,6 5.366,9 3.95,11 2.307,12 1,14 2.57,15 0.5,17 1.435,19 1,20 1,21 3.95,24 -1,25 -0.931,27 -2.538,28 -2.538,29 3.438,30 4.846,31 3.55,33 105.32,38 1,40 32.51,41 0.74,42 3.653,43 3.248,44 9.734,45 2.187,47 -0.157,48 1,49 1,50 1,51 35.663,53 2.519,55 0.657,56 174.53,57 -0.175,58 -0.175,59 4,60 142.706,62 3.438,63 28,64 3.091,65 3.091,66 21,67 4.301}
{0 CHEMBL68539,5 0.916,6 5.842,9 4.834,11 2.5,12 1,14 2.69,15 1.219,17 1.572,19 1,20 1,21 4.834,24 0.138,25 0.123,26 1.058,27 0.22,28 0.22,29 3.57,30 5.051,31 3.81,33 95.616,38 1,39 2,40 38.632,41 1.743,42 3.718,43 3.56,44 20.734,45 1.803,47 0.745,48 1,49 1,50 1.078,51 38.108,53 2.788,55 1.47,56 232.614,57 0.786,58 0.786,59 4,60 184.392,62 3.666,63 31,64 3.296,65 3.296,66 26,67 4.301}
{0 CHEMBL69131,5 0.51,6 5.285,9 4.182,11 2.27,12 1,14 1.792,15 0.5,17 1.212,19 1,20 1,21 4.182,24 -1,25 -0.7,27 -3,28 -3,29 3.175,30 4.803,31 3.251,33 78.827,38 1,39 3,40 31.121,41 0.304,42 3.403,43 2.923,44 9.734,45 1.345,47 -0.629,48 1,49 1,50 1,51 30.633,53 2.595,55 0.544,56 103.903,57 -0.66,58 -0.66,59 4,60 131.556,62 3.069,63 26,64 3.045,65 3.045,66 20,67 4.301}
{0 CHEMBL69668,5 -0.232,6 5.087,9 4.127,11 2.262,12 1,14 2.521,15 0.5,17 1.326,19 1,20 1,21 4.127,24 -1.131,25 -0.9,27 -2.039,28 -2.039,29 3.241,30 4.729,31 3.174,33 87.432,38 1,39 3,40 29.625,41 0.303,42 3.488,43 3.033,44 9.734,45 1.344,47 -0.629,48 1,49 1,50 1,51 29.642,53 2.658,55 0.539,56 174.53,57 -0.661,58 -0.661,59 4,60 120.291,62 3.235,63 24,64 2.996,65 2.996,66 19,67 4.301}
{0 CHEMBL70261,5 0.51,6 5.574,9 4.254,11 2.275,12 1,14 1.793,15 0.5,17 1.203,19 1,20 1,21 4.254,24 -1,25 -0.7,27 -2.565,28 -2.565,29 3.147,30 4.868,31 3.47,33 82.943,38 1,39 3,40 32.185,41 0.468,42 3.381,43 3.02,44 20.734,45 1.345,47 -0.354,48 1,49 1,50 1,51 31.662,53 2.687,55 0.618,56 114.903,57 -0.414,58 -0.414,59 4,60 138.984,62 3.21,63 25,64 3.091,65 3.091,66 21,67 5.143}
{0 CHEMBL70544,1 1,2 9.192,3 1,4 1,5 0.51,6 5.475,9 4.182,11 1.527,12 2,14 2.096,17 1.157,19 3,20 1,21 4.182,24 -1,25 -0.745,26 -0.102,27 -3,28 -3,29 3.135,30 4.863,31 3.274,33 80.933,40 29.942,41 0.053,42 3.42,43 2.913,44 42.683,45 1.94,47 -0.7,50 1,51 31.341,53 2.595,55 0.5,56 125.081,57 -0.843,58 -0.843,59 4,60 124.436,62 3.104,63 27,64 2.996,65 2.996,66 19,67 6.097}
{0 CHEMBL70708,5 0.588,6 5.436,9 4.289,11 2.387,12 1,14 2.124,15 0.583,17 1.194,19 1,20 1,21 4.289,24 -1,25 -0.7,26 0.073,27 -2.07,28 -2.07,29 3.538,30 4.855,31 3.528,33 75.071,38 1,39 1,40 35.952,41 0.836,42 3.532,43 3.126,44 9.734,45 1.94,47 -0.078,48 1,49 1,50 1.055,51 35.898,53 2.595,55 0.748,56 127.445,57 -0.086,58 -0.086,59 4,60 158.491,62 3.321,63 30,64 3.178,65 3.178,66 23,67 5.495}
{0 CHEMBL71154,5 0.327,6 5.077,9 4.349,11 2.273,12 1,14 2.205,15 0.5,17 1.34,19 1,20 1,21 4.349,24 -1.347,25 -0.938,27 -2.092,28 -2.092,29 3.267,30 4.738,31 3.259,33 90.204,38 1,39 2,40 28.9,41 0.736,42 3.406,43 3.014,44 9.734,45 1.526,47 -0.16,48 1,49 1,50 1,51 31.07,53 2.519,55 0.655,56 127.445,57 -0.178,58 -0.178,59 4,60 119.776,62 3.158,63 24,64 2.996,65 2.996,66 19,67 4.959}
{0 CHEMBL71320,5 1,6 5.431,9 4.516,11 2.5,12 1,14 2.715,15 1.334,17 1.529,19 1,20 1,21 4.516,24 -0.252,25 -0.156,26 0.743,27 -0.343,28 -0.343,29 3.6,30 4.877,31 3.678,33 91.517,38 1,39 1,40 36.348,41 1.744,42 3.772,43 3.493,44 9.734,45 2.123,47 0.748,48 1,49 1,50 1.076,51 39.021,53 2.845,55 2,56 198.072,57 0.769,58 0.769,59 4,60 167.253,62 3.587,63 31,64 3.219,65 3.219,66 24,67 4.301}
{0 CHEMBL71682,5 1,6 5.674,9 4.51,11 2.5,12 1,14 2.715,15 1.273,17 1.528,19 1,20 1,21 4.51,24 -0.116,25 -0.082,26 0.828,27 -0.225,28 -0.225,29 3.6,30 4.971,31 3.779,33 82.675,38 1,39 1,40 39.657,41 1.759,42 3.825,43 3.52,44 9.734,45 1.94,47 0.763,48 1,49 1,50 1.074,51 39.824,53 2.845,55 2,56 198.072,57 0.798,58 0.798,59 4,60 190.32,62 3.636,63 35,64 3.296,65 3.296,66 26,67 4.301}
{0 CHEMBL71795,5 0.916,6 5.493,9 4.746,11 2.464,12 1,14 2.689,15 1.217,17 1.575,19 1,20 1,21 4.746,24 -0.142,25 -0.101,26 0.809,27 -0.266,28 -0.266,29 3.571,30 4.937,31 3.609,33 100.104,38 1,39 2,40 36.099,41 1.717,42 3.796,43 3.567,44 9.734,45 1.492,47 0.72,48 1,49 1,50 1.071,51 35.754,53 2.687,55 1.252,56 292.241,57 0.762,58 0.762,59 4,60 164.256,62 3.682,63 30,64 3.219,65 3.219,66 24,67 4.301}
{0 CHEMBL71934,5 0.823,6 5.838,9 4.036,11 2.309,12 1,14 2.57,15 0.5,17 1.429,19 1,20 1,21 4.036,24 -1,25 -0.7,27 -2.466,28 -2.466,29 3.433,30 4.999,31 3.813,33 100.593,38 1,40 37.232,41 1.066,42 3.696,43 3.35,44 20.734,45 2.197,47 0.157,48 1,49 1,50 1,51 37.349,53 2.687,55 0.853,56 185.529,57 0.181,58 0.181,59 4,60 172.829,62 3.589,63 31,64 3.219,65 3.219,66 24,67 4.301}
{0 CHEMBL71958,5 0.916,6 5.373,9 4.803,11 2.5,12 1,14 2.682,15 1.219,17 1.574,19 1,20 1,21 4.803,24 -0.255,25 -0.158,26 0.741,27 -0.346,28 -0.346,29 3.571,30 4.907,31 3.546,33 100.342,38 1,39 2,40 34.099,41 1.477,42 3.676,43 3.477,44 9.734,45 1.803,47 0.501,48 1,49 1,50 1.075,51 36.385,53 2.687,55 1.335,56 221.614,57 0.538,58 0.538,59 4,60 153.592,62 3.527,63 28,64 3.178,65 3.178,66 23,67 4.301}
{0 CHEMBL960,5 0.51,6 5.427,9 4.182,11 2.27,12 1,14 1.792,15 0.5,17 1.203,19 1,20 1,21 4.182,22 1,23 1,24 -1,25 -0.7,27 -3,28 -3,29 3.092,30 4.848,31 3.117,33 82.818,38 1,39 3,40 31.121,41 0.33,42 3.35,43 2.883,44 34.879,45 1.329,47 -0.647,48 1,49 1,50 1,51 30.331,53 2.481,55 0.544,56 129.048,57 -0.66,58 -0.66,59 4,60 131.556,62 2.993,63 26,64 3.045,65 3.045,66 20,67 4.886}
{0 CHEMBL973,1 1,2 9.059,3 1,4 1,5 0.51,6 5.605,9 4.182,11 1.527,12 2,14 2.08,17 1.146,19 3,20 1,21 4.182,22 1,23 1,24 -1,25 -0.845,26 -0.102,27 -3,28 -3,29 3.08,30 4.905,31 3.139,33 84.924,40 29.942,41 0.168,42 3.368,43 2.873,44 67.828,45 1.931,47 -0.7,50 1,51 31.03,53 2.469,55 0.5,56 150.226,57 -0.843,58 -0.843,59 4,60 124.436,62 3.025,63 27,64 2.996,65 2.996,66 19,67 6.584}
{0 CHEMBL999,1 1,2 9.059,3 1,4 1,5 0.51,6 5.605,9 4.182,11 1.527,12 2,14 2.08,17 1.146,19 3,20 1,21 4.182,22 1,23 1,24 -1,25 -0.845,26 -0.102,27 -3,28 -3,29 3.08,30 4.905,31 3.139,33 84.924,40 29.942,41 0.168,42 3.368,43 2.873,44 67.828,45 1.931,47 -0.7,50 1,51 31.03,53 2.469,55 0.5,56 150.226,57 -0.843,58 -0.843,59 4,60 124.436,62 3.025,63 27,64 2.996,65 2.996,66 19,67 6.531}