@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4601

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1082440,CHEMBL1090356,CHEMBL116070,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1236107,CHEMBL1236126,CHEMBL1240703,CHEMBL1241473,CHEMBL1241674,CHEMBL1242373,CHEMBL124660,CHEMBL1258913,CHEMBL1270230,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1375418,CHEMBL1375640,CHEMBL1421,CHEMBL1461728,CHEMBL14762,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1721885,CHEMBL1727312,CHEMBL17370,CHEMBL1738758,CHEMBL1739550,CHEMBL1789941,CHEMBL180022,CHEMBL1825138,CHEMBL1836743,CHEMBL1836744,CHEMBL1836745,CHEMBL1836746,CHEMBL1836747,CHEMBL1836748,CHEMBL1836749,CHEMBL1836750,CHEMBL1836751,CHEMBL1836752,CHEMBL1836753,CHEMBL1836754,CHEMBL1836755,CHEMBL1836756,CHEMBL1836757,CHEMBL1836758,CHEMBL1836759,CHEMBL1836760,CHEMBL1836761,CHEMBL1836796,CHEMBL1836797,CHEMBL1836798,CHEMBL1836799,CHEMBL1836800,CHEMBL1836801,CHEMBL1836802,CHEMBL1836803,CHEMBL1836804,CHEMBL1836805,CHEMBL1836806,CHEMBL1836807,CHEMBL1836808,CHEMBL1836809,CHEMBL1836810,CHEMBL1836811,CHEMBL1836812,CHEMBL1836813,CHEMBL1836814,CHEMBL1836815,CHEMBL1836837,CHEMBL1836838,CHEMBL1836839,CHEMBL1836840,CHEMBL1836841,CHEMBL1836842,CHEMBL1836843,CHEMBL1836844,CHEMBL1836845,CHEMBL1836846,CHEMBL1836847,CHEMBL1836848,CHEMBL1836849,CHEMBL1836850,CHEMBL1836851,CHEMBL1836852,CHEMBL1836853,CHEMBL1836854,CHEMBL1836855,CHEMBL1836861,CHEMBL1836862,CHEMBL1836863,CHEMBL1836864,CHEMBL1836865,CHEMBL1836866,CHEMBL1836867,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1923983,CHEMBL1929238,CHEMBL1933576,CHEMBL1933582,CHEMBL1949788,CHEMBL1949789,CHEMBL1958401,CHEMBL196363,CHEMBL1964290,CHEMBL1964413,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964777,CHEMBL1964804,CHEMBL1965131,CHEMBL1965423,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965631,CHEMBL1965660,CHEMBL1965836,CHEMBL1966087,CHEMBL1966279,CHEMBL1966343,CHEMBL1966628,CHEMBL1966722,CHEMBL1966816,CHEMBL1967302,CHEMBL1967531,CHEMBL1967544,CHEMBL1967564,CHEMBL1967887,CHEMBL1968127,CHEMBL1968151,CHEMBL1968380,CHEMBL1968406,CHEMBL1968791,CHEMBL1969042,CHEMBL1969049,CHEMBL1969126,CHEMBL1969156,CHEMBL1969190,CHEMBL1969301,CHEMBL1969372,CHEMBL1969502,CHEMBL1969523,CHEMBL1969537,CHEMBL1969588,CHEMBL1969664,CHEMBL1969755,CHEMBL1969843,CHEMBL1970104,CHEMBL1970189,CHEMBL1970203,CHEMBL1970314,CHEMBL1970522,CHEMBL1970806,CHEMBL1970903,CHEMBL1970913,CHEMBL1971029,CHEMBL1971141,CHEMBL1971149,CHEMBL1971186,CHEMBL1971245,CHEMBL1971430,CHEMBL1971649,CHEMBL1971694,CHEMBL1972125,CHEMBL1972142,CHEMBL1972221,CHEMBL1972276,CHEMBL1972365,CHEMBL1972489,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972820,CHEMBL1972937,CHEMBL1973098,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973483,CHEMBL1973808,CHEMBL1973860,CHEMBL1973893,CHEMBL1973937,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974702,CHEMBL1974870,CHEMBL1974935,CHEMBL1975138,CHEMBL1975233,CHEMBL1975256,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976220,CHEMBL1976420,CHEMBL1976455,CHEMBL1976872,CHEMBL1977223,CHEMBL1977346,CHEMBL1977619,CHEMBL1977681,CHEMBL1978014,CHEMBL1978200,CHEMBL1978448,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979318,CHEMBL1979357,CHEMBL1979516,CHEMBL1979883,CHEMBL1979970,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980391,CHEMBL1980489,CHEMBL1980540,CHEMBL1980704,CHEMBL1980896,CHEMBL1981047,CHEMBL1981079,CHEMBL1981410,CHEMBL1981725,CHEMBL1981782,CHEMBL1982135,CHEMBL1982361,CHEMBL1982506,CHEMBL1982610,CHEMBL1982660,CHEMBL1982711,CHEMBL1982866,CHEMBL1982874,CHEMBL1982924,CHEMBL1982992,CHEMBL1983111,CHEMBL1983449,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1984038,CHEMBL1984191,CHEMBL1984363,CHEMBL1984367,CHEMBL1984586,CHEMBL1984633,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985406,CHEMBL1986139,CHEMBL1986186,CHEMBL1986263,CHEMBL1986328,CHEMBL1986499,CHEMBL1986530,CHEMBL1986588,CHEMBL1986603,CHEMBL1986781,CHEMBL1986970,CHEMBL1987007,CHEMBL1987034,CHEMBL1987143,CHEMBL1987533,CHEMBL1987679,CHEMBL1988075,CHEMBL1988594,CHEMBL1988608,CHEMBL1988717,CHEMBL1989029,CHEMBL1989423,CHEMBL1989474,CHEMBL1989518,CHEMBL1989646,CHEMBL1989708,CHEMBL1989834,CHEMBL1990254,CHEMBL1990288,CHEMBL1990482,CHEMBL1990496,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991063,CHEMBL1991138,CHEMBL1991188,CHEMBL1991285,CHEMBL1991356,CHEMBL1991395,CHEMBL1991434,CHEMBL1991725,CHEMBL1991800,CHEMBL1992306,CHEMBL1992323,CHEMBL1992342,CHEMBL1992536,CHEMBL1992634,CHEMBL1992740,CHEMBL1993243,CHEMBL1993584,CHEMBL1993661,CHEMBL1994040,CHEMBL1994074,CHEMBL1994241,CHEMBL1994538,CHEMBL1994693,CHEMBL1994864,CHEMBL1994938,CHEMBL1995172,CHEMBL1995813,CHEMBL1996066,CHEMBL1996111,CHEMBL1996500,CHEMBL1996587,CHEMBL1996791,CHEMBL1996817,CHEMBL1996831,CHEMBL1996837,CHEMBL1996931,CHEMBL1996979,CHEMBL1997023,CHEMBL1997129,CHEMBL1997340,CHEMBL1997597,CHEMBL1997617,CHEMBL1997764,CHEMBL1997872,CHEMBL1998112,CHEMBL1998121,CHEMBL1998545,CHEMBL1998585,CHEMBL1998829,CHEMBL1999112,CHEMBL1999496,CHEMBL1999714,CHEMBL1999718,CHEMBL1999811,CHEMBL2000071,CHEMBL2000114,CHEMBL2000335,CHEMBL2000345,CHEMBL2000354,CHEMBL2000393,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000801,CHEMBL2000832,CHEMBL2001224,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001539,CHEMBL2001547,CHEMBL2001751,CHEMBL2001920,CHEMBL2002346,CHEMBL2002373,CHEMBL2002702,CHEMBL2002726,CHEMBL2003271,CHEMBL2003286,CHEMBL2003482,CHEMBL2003638,CHEMBL2003817,CHEMBL2004419,CHEMBL2004447,CHEMBL2004692,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2005375,CHEMBL2005475,CHEMBL2005528,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006188,CHEMBL2006237,CHEMBL2006276,CHEMBL2006493,CHEMBL2006785,CHEMBL2007002,CHEMBL2007044,CHEMBL2007064,CHEMBL2007592,CHEMBL2064666,CHEMBL207400,CHEMBL208637,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL213505,CHEMBL215152,CHEMBL2171124,CHEMBL220057,CHEMBL2205766,CHEMBL221959,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL225519,CHEMBL226403,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL231209,CHEMBL2333365,CHEMBL234085,CHEMBL243088,CHEMBL244378,CHEMBL24828,CHEMBL248757,CHEMBL249097,CHEMBL249282,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL259084,CHEMBL259922,CHEMBL260135,CHEMBL261849,CHEMBL262433,CHEMBL271381,CHEMBL272453,CHEMBL274064,CHEMBL278041,CHEMBL288441,CHEMBL289959,CHEMBL296468,CHEMBL300138,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL340921,CHEMBL363648,CHEMBL371206,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379835,CHEMBL384304,CHEMBL385478,CHEMBL386051,CHEMBL387971,CHEMBL394619,CHEMBL394790,CHEMBL396523,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL411903,CHEMBL412142,CHEMBL41783,CHEMBL428690,CHEMBL440084,CHEMBL445813,CHEMBL450519,CHEMBL450786,CHEMBL451401,CHEMBL458997,CHEMBL462120,CHEMBL464552,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL491473,CHEMBL494089,CHEMBL497151,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL513909,CHEMBL519697,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL535,CHEMBL539474,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL562488,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL583144,CHEMBL592030,CHEMBL597754,CHEMBL599224,CHEMBL599428,CHEMBL600795,CHEMBL601719,CHEMBL602471,CHEMBL602472,CHEMBL607707,CHEMBL608154,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute N.073 numeric
@attribute CATS2D_09_AA numeric
@attribute C.033 numeric
@attribute H.048 numeric
@attribute nArCONR2 numeric
@attribute nN numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMin7_Bh.v. numeric
@attribute nPyrazines numeric
@attribute Eig07_EA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMax4_Bh.i. numeric
@attribute CATS2D_03_DA numeric
@attribute SpMin8_Bh.i. numeric
@attribute D.Dtr05 numeric
@attribute SpMin8_Bh.e. numeric
@attribute C.006 numeric
@attribute Rperim numeric
@attribute X4 numeric
@attribute Eig15_AEA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute NRS numeric
@attribute Chi0_EA.dm. numeric
@attribute Eig14_AEA.ri. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SpMax1_Bh.e. numeric
@attribute CATS2D_07_DD numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute Eig15_AEA.ed. numeric
@attribute SpMin7_Bh.e. numeric
@attribute ATS2i numeric
@attribute Eig14_EA.bo. numeric
@attribute SpMin7_Bh.p. numeric
@attribute Eig06_EA.bo. numeric
@attribute ZM2Mad numeric
@attribute SsssN numeric
@attribute Xindex numeric
@attribute Eig14_AEA.bo. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin7_Bh.i. numeric
@attribute IC1 numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute MDDD numeric
@attribute nHet numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpAD_EA numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpAD_AEA.ri. numeric
@attribute ATS1e numeric
@attribute MPC03 numeric
@attribute NsssN numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute SpAD_AEA.bo. numeric
@attribute LLS_02 numeric
@attribute ATS3i numeric
@attribute SpMax8_Bh.v. numeric
@attribute pXC50 numeric

@data
{1 1,6 3,7 3.636,8 1.107,10 3.75,11 3.75,12 1.062,13 3.679,15 0.821,16 74.848,17 0.886,19 23,20 8.173,21 0.965,22 2.498,23 4,24 4.368,25 0.725,26 1.107,27 4.093,29 4.301,30 4.301,31 7.301,32 4.301,33 2.512,34 0.886,35 4.468,36 -0.236,37 1.062,38 2.55,39 204.305,41 0.312,42 1.137,43 1.181,44 0.821,45 3.339,46 2.925,47 3.494,48 2.854,49 25.295,50 6,51 1.415,52 45.393,53 2.925,54 1.181,55 3.526,56 45.542,57 3.876,58 4.043,60 14.814,61 14.814,62 14.814,63 14.814,64 14.814,65 46.121,66 1,67 4.722,68 2.715,69 5.409}
{0 CHEMBL101253,1 1,6 4,7 3.406,8 1.107,10 3.102,11 3.102,12 1.044,13 3.47,14 1,15 0.803,17 0.845,19 22,20 7.644,21 0.889,22 28.435,23 3,24 18.364,25 0.595,26 1.066,27 4.095,29 4.543,30 4.543,31 7.543,32 4.543,33 2.304,34 0.886,35 4.398,36 -0.435,37 1.062,38 2.591,39 171.363,41 0.306,42 1.014,43 1.122,44 0.821,45 3.216,46 2.925,47 3.253,48 2.854,49 23.142,50 5,51 1.298,52 41.266,53 2.925,54 1.181,55 3.24,56 41.449,57 3.803,58 3.932,60 13.875,61 13.875,62 13.875,63 13.875,64 13.875,65 41.584,66 1,67 4.697,68 2.715,69 5.6}
{0 CHEMBL103667,1 1,2 1,6 5,7 3.807,8 1.584,10 6.04,11 6.04,12 1.464,13 3.859,14 1,15 1.154,16 114.727,17 1.222,18 6,19 27,20 11.568,21 2.387,22 47.755,23 4,24 36.989,25 2,26 1.472,27 4.112,29 4.54,30 4.54,31 7.54,32 4.54,33 3.414,34 1.353,35 5.161,36 1.461,37 1.576,38 2.819,39 263.768,40 2.346,41 0.228,42 2.471,43 1.513,44 1.295,45 3.506,46 3.478,47 3.601,48 3.289,49 51.546,50 8,51 1.673,52 64.651,53 3.343,54 1.598,55 3.586,56 64.61,57 4.416,58 4.369,59 1,60 21.281,61 21.281,62 21.281,63 21.281,64 21.281,65 65.312,66 0.75,67 5.428,68 3.081,69 4.523}
{0 CHEMBL105442,1 1,6 2,7 3.395,8 1.059,10 3.779,11 3.779,12 0.995,13 3.426,15 0.702,17 0.735,18 1,19 15,20 6.499,21 0.427,22 19.271,23 3,24 16.843,25 0.255,26 0.973,27 4.002,29 4.211,30 4.211,31 7.211,32 4.211,33 2.114,34 0.868,35 4.4,36 -0.621,37 1.016,38 2.366,39 229.623,41 0.36,42 0.797,43 1.006,44 0.824,45 3.93,46 2.922,47 3.15,48 2.794,49 22.128,50 8,51 1.123,52 39.811,53 2.844,54 1.093,55 3.381,56 40.177,57 3.792,58 3.85,60 13.256,61 13.256,62 13.256,63 13.256,64 13.256,65 40.142,66 0.75,67 4.69,68 2.678,69 5}
{0 CHEMBL1082440,6 3,7 3.424,8 1.329,10 3.165,11 3.165,12 0.982,13 3.479,14 1,15 0.619,17 0.708,18 3,19 17,20 7.147,21 0.701,22 25.392,23 2,24 17.457,25 0.231,26 1.044,27 4.173,29 4.908,30 4.908,31 7.908,32 4.908,33 2,34 1.007,35 4.629,36 -1.052,37 1.29,38 1.902,39 203.207,40 1.627,41 0.43,42 0.75,43 1.105,44 0.895,45 3.433,46 3.142,47 3.298,48 2.733,49 12.818,50 6,51 1.439,52 35.969,53 2.852,54 1.172,55 3.32,56 35.971,57 3.852,58 3.892,59 1,60 11.818,61 11.818,62 11.818,63 11.818,64 11.818,65 35.958,66 1,67 4.939,68 2.492,69 5.6}
{0 CHEMBL1090356,1 2,2 1,3 2,4 2,6 7,7 3.849,8 1.603,10 6.806,11 6.806,12 1.43,13 3.881,15 1.339,16 209.351,17 1.35,18 4,19 38,20 14.356,21 2.612,22 47.09,23 6,24 30.357,25 2.148,26 1.461,27 4.161,29 4.68,30 4.68,31 7.68,32 4.68,33 3.498,34 1.403,35 5.065,36 1.728,37 1.62,38 3.105,39 316.622,40 2.321,41 0.18,42 2.657,43 1.513,44 1.371,45 3.732,46 3.497,47 3.776,48 3.175,49 66.581,50 10,51 1.731,52 73.111,53 3.215,54 1.576,55 3.792,56 73.002,57 4.398,58 4.533,59 1,60 24.323,61 24.323,62 24.323,63 24.323,64 24.323,65 73.698,66 0.75,67 5.34,68 3.081,69 7}
{0 CHEMBL116070,6 2,7 3.076,8 0.941,10 2.468,11 2.468,12 0.723,13 3.133,15 0.433,16 39.057,17 0.496,19 15,20 5.797,21 0.396,22 11.167,23 2,24 10.938,25 -0.04,26 0.745,27 4.077,29 4.534,30 4.534,31 7.534,32 4.534,33 1.715,34 0.781,35 4.021,36 -1.5,37 0.901,38 2.214,39 185.292,41 0.386,42 0.5,43 0.648,44 0.755,45 3.573,46 2.773,47 2.914,48 2.35,49 13.92,50 6,51 0.942,52 33.144,53 2.44,54 0.889,55 2.941,56 33.259,57 3.513,58 3.714,60 10.866,61 10.866,62 10.866,63 10.866,64 10.866,65 33.515,66 1,67 4.222,68 2.038,69 5.6}
{0 CHEMBL1173655,1 1,2 1,6 5,7 3.745,8 1.488,10 5.602,11 5.602,12 1.289,13 3.801,14 1,15 0.986,16 86.25,17 1.044,18 3,19 21,20 9.611,21 1.618,22 46.591,23 3,24 32.664,25 1.543,26 1.308,27 4.088,29 4.514,30 4.514,31 7.514,32 4.514,33 3,34 1.263,35 4.893,36 0.618,37 1.487,38 2.66,39 238.133,40 1.95,41 0.285,42 1.679,43 1.417,44 1.208,45 4.082,46 3.189,47 3.585,48 2.999,49 41.059,50 10,51 1.516,52 54.582,53 3.067,54 1.44,55 3.577,56 54.671,57 4.189,58 4.174,59 1,60 18.303,61 18.303,62 18.303,63 18.303,64 18.303,65 54.995,66 0.88,67 5.121,68 2.791,69 5}
{0 CHEMBL117697,1 1,6 3,7 3.254,8 1.003,10 2.642,11 2.642,12 0.791,13 3.319,15 0.547,17 0.61,19 16,20 5.78,21 0.223,22 23.856,23 2,24 13.8,25 0.05,26 0.826,27 4.064,29 4.433,30 4.433,31 7.433,32 4.433,33 1.599,34 0.775,35 4.191,36 -1.337,37 0.968,38 1.902,39 122.486,41 0.391,42 0.529,43 0.884,44 0.706,45 3.147,46 2.827,47 2.995,48 2.608,49 11.296,50 4,51 1.124,52 30.487,53 2.673,54 1.051,55 2.979,56 30.42,57 3.584,58 3.638,60 10.342,61 10.342,62 10.342,63 10.342,64 10.342,65 30.429,66 1,67 4.373,68 2.471,69 5.6}
{0 CHEMBL1190711,1 2,2 1,3 1,4 1,6 6,7 3.357,8 1.487,10 4.455,11 4.455,12 1.223,13 3.405,15 0.869,16 64.597,17 0.946,19 21,20 9.308,21 1.361,22 28.736,23 3,24 19.544,25 1.185,26 1.214,27 4.129,29 4.52,30 4.52,31 7.52,32 4.52,33 2.688,34 1.188,35 4.61,36 0.366,37 1.484,38 2.559,39 204.102,41 0.311,42 1.454,43 1.158,44 1.114,45 3.872,46 3.261,47 3.191,48 3.054,49 25.42,50 9,51 1.341,52 47.728,53 3.127,54 1.386,55 3.172,56 47.608,57 3.988,58 4.143,60 15.674,61 15.674,62 15.674,63 15.674,64 15.674,65 47.932,66 1,67 4.744,68 2.861,69 5.6}
{0 CHEMBL119385,6 3,7 3.419,8 1.004,10 5.104,11 5.104,12 0.962,13 3.448,15 0.802,17 0.835,19 22,20 9.166,21 1,22 21.577,23 3,24 19.118,25 0.751,26 0.979,27 4.021,29 4.28,30 4.28,31 7.28,32 4.28,33 2.407,34 0.849,35 4.313,36 -0.204,37 0.989,38 2.481,39 244.079,40 1.389,41 0.308,42 1.272,43 0.869,44 0.825,45 3.749,46 2.934,47 3.286,48 2.885,49 25.98,50 9,51 1.31,52 46.83,53 2.918,54 1,55 3.289,56 47.199,57 3.774,58 4.127,59 1,60 15.266,61 15.266,62 15.266,63 15.266,64 15.266,65 48.27,66 0.88,67 4.592,68 2.733,69 5}
{0 CHEMBL1230020,1 1,3 1,4 1,6 3,7 3.435,8 1.102,10 4.574,11 4.574,12 0.997,13 3.478,15 0.773,16 58.129,17 0.825,18 1,19 15,20 8.468,21 0.999,22 6.141,23 2,24 9.931,25 0.448,26 1.001,27 4.134,28 1,29 4.565,30 4.565,31 7.565,32 4.565,33 2.375,34 0.841,35 4.493,36 -0.52,37 1.096,38 2.727,39 242.126,41 0.377,42 1,43 0.999,44 0.814,45 4.235,46 2.985,47 3.321,48 2.789,49 22.217,50 10,51 1.451,52 44.04,53 2.857,54 1.068,55 3.321,56 44.271,57 3.85,58 4.043,60 14.211,61 14.211,62 14.211,63 14.211,64 14.211,65 44.355,66 1,67 4.795,68 2.613,69 7.319}
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{0 CHEMBL1236107,1 2,3 1,4 1,6 7,7 3.454,8 1.158,10 4.36,11 4.36,12 1.06,13 3.49,15 0.695,16 115.387,17 0.772,19 24,20 8.893,21 0.929,22 4.873,23 3,24 6.656,25 0.859,26 1.081,27 4.118,29 4.523,30 4.523,31 7.523,32 4.523,33 2.543,34 0.962,35 4.44,36 -0.038,37 1.141,38 2.61,39 213.339,41 0.266,42 1.317,43 1.076,44 0.904,45 3.654,46 3.043,47 3.371,48 2.742,49 22.385,50 8,51 1.412,52 45.596,53 2.825,54 1.125,55 3.402,56 45.693,57 3.829,58 4.094,60 14.857,61 14.857,62 14.857,63 14.857,64 14.857,65 46.04,66 0.88,67 4.597,68 2.6,69 5}
{0 CHEMBL1236126,1 1,6 4,7 3.611,8 1.317,10 5.319,11 5.319,12 1.239,13 3.664,15 0.937,16 76.913,17 0.969,18 2,19 15,20 8.42,21 1.204,22 29.433,23 2,24 24.987,25 1.152,26 1.308,27 4.134,29 4.595,30 4.595,31 7.595,32 4.595,33 2.825,34 1.051,35 4.805,36 0.265,37 1.349,38 2.62,39 216.308,41 0.338,42 1.435,43 1.312,44 1.013,45 3.903,46 3.209,47 3.449,48 2.979,49 36.977,50 10,51 1.585,52 51.342,53 3.019,54 1.417,55 3.45,56 51.322,57 4.128,58 4.127,60 16.727,61 16.727,62 16.727,63 16.727,64 16.727,65 52.031,66 1,67 5.085,68 2.798,69 5.6}
{0 CHEMBL1240703,1 2,2 2,4 2,5 1,6 4,7 3.831,8 1.62,10 8.417,11 8.417,12 1.55,13 3.86,15 1.27,16 121.185,17 1.314,19 32,20 18.819,21 2.712,22 42.947,23 2,24 30.107,25 2.389,26 1.553,27 4.368,29 5.289,30 5.289,31 8.289,32 5.289,33 4.108,34 1.367,35 5.174,36 1.962,37 1.649,38 3.419,39 379.853,40 1.788,41 0.227,42 2.86,43 1.572,44 1.322,45 3.766,46 3.468,47 3.701,48 3.321,49 42.955,50 9,51 1.856,52 82.794,53 3.376,54 1.583,55 3.686,56 82.891,57 4.452,58 4.898,59 1,60 25.625,61 25.625,62 25.625,63 25.625,64 25.625,65 83.801,66 0.75,67 5.503,68 3.151,69 5}
{0 CHEMBL1241473,1 2,2 2,6 6,7 3.462,8 1.501,10 5.595,11 5.595,12 1.449,13 3.503,14 1,15 1.017,17 1.076,19 18,20 9.499,21 1.424,22 58.25,23 3,24 34.859,25 1.201,26 1.434,27 4.026,29 4.164,30 4.164,31 7.164,32 4.164,33 2.859,34 1.164,35 4.689,36 0.38,37 1.512,38 2.614,39 216.412,41 0.344,42 1.507,43 1.194,44 1.079,45 3.841,46 3.311,47 3.13,48 3.191,49 31.25,50 12,51 1.179,52 49.808,53 3.269,54 1.404,55 3.081,56 49.625,57 4.084,58 4.143,60 16.571,61 16.571,62 16.571,63 16.571,64 16.571,65 49.855,66 0.88,67 4.809,68 2.889,69 5.6}
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{0 CHEMBL1258913,1 1,2 2,6 6,7 3.809,8 1.639,10 5.935,11 5.935,12 1.594,13 3.868,14 1,15 1.224,16 332.305,17 1.291,18 7,19 31,20 12.403,21 2.384,22 45.498,23 5,24 33.058,25 2,26 1.563,27 4.119,29 4.571,30 4.571,31 7.571,32 4.571,33 3.414,34 1.513,35 5.113,36 1.5,37 1.647,38 2.625,39 295.437,40 4.649,41 0.195,42 2.5,43 1.513,44 1.467,45 3.734,46 3.376,47 3.659,48 3.204,49 53.166,50 10,51 1.595,52 66.199,53 3.247,54 1.524,55 3.663,56 66.213,57 4.373,58 4.419,59 2,60 21.779,61 21.779,62 21.779,63 21.779,64 21.779,65 66.717,66 0.75,67 5.417,68 3.014,69 5}
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{0 CHEMBL1287853,1 2,2 2,6 6,7 3.819,8 1.57,10 6.721,11 6.721,12 1.475,13 3.86,15 1.136,16 129.463,17 1.206,18 4,19 23,20 10.431,21 1.628,22 60.338,23 4,24 38.907,25 1.865,26 1.485,27 4.095,29 4.71,30 4.71,31 7.71,32 4.71,33 3.222,34 1.358,35 5.128,36 0.978,37 1.52,38 2.921,39 286.601,40 2.425,41 0.239,42 1.996,43 1.423,44 1.384,45 3.63,46 3.466,47 3.675,48 3.19,49 54.171,50 10,51 1.656,52 59.554,53 3.278,54 1.511,55 3.678,56 59.577,57 4.371,58 4.205,59 1,60 19.81,61 19.81,62 19.81,63 19.81,64 19.81,65 59.697,66 0.63,67 5.411,68 2.989,69 5.921}
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{0 CHEMBL1336,6 4,7 3.482,8 1.194,10 5.825,11 5.825,12 1.11,13 3.542,14 1,15 0.845,17 0.887,19 18,20 8.636,21 1.444,22 35.352,23 3,24 27.261,25 1.174,26 1.107,27 3.988,29 4.049,30 4.049,31 7.049,32 4.049,33 2.828,34 0.961,35 4.622,36 0.223,37 1.199,38 2.804,39 223.738,41 0.289,42 1.471,43 1.181,44 0.904,45 3.835,46 3.05,47 3.245,48 2.947,49 37.637,50 11,51 1.309,52 50.392,53 2.997,54 1.196,55 3.207,56 50.72,57 4.003,58 4.06,60 16.717,61 16.717,62 16.717,63 16.717,64 16.717,65 51.216,66 0.88,67 4.837,68 2.774,69 5}
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{0 CHEMBL1421,1 1,2 3,6 7,7 3.72,8 1.459,10 5.178,11 5.178,12 1.376,13 3.768,14 1,15 1.064,16 97.808,17 1.153,18 6,19 23,20 9.89,21 1.58,22 53.106,23 4,24 32.957,25 1.528,26 1.429,27 3.993,29 4.012,30 4.012,31 7.012,32 4.012,33 2.952,34 1.204,35 4.911,36 1,37 1.407,38 2.481,39 253.281,40 4.441,41 0.258,42 2,43 1.513,44 1.129,45 3.865,46 3.256,47 3.553,48 3.148,49 39.278,50 11,51 1.496,52 53.272,53 3.223,54 1.513,55 3.54,56 53.389,57 4.186,58 4.174,59 2,60 17.742,61 17.742,62 17.742,63 17.742,64 17.742,65 53.852,66 0.88,67 5.151,68 2.958,69 8.108}
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{0 CHEMBL1614705,1 1,2 2,6 5,7 3.632,8 1.364,10 4.209,11 4.209,12 1.097,13 3.693,14 2,15 0.804,16 81.259,17 0.86,18 3,19 23,20 9.155,21 1.299,22 16.542,23 4,24 16.683,25 1.143,26 1.101,27 4.083,29 4.366,30 4.366,31 7.366,32 4.366,33 2.542,34 1.153,35 4.692,36 0.249,37 1.372,38 2.419,39 210.98,40 1.65,41 0.317,42 1.469,43 1.113,44 1.064,45 4.094,46 3.012,47 3.445,48 2.898,49 28.145,50 9,51 1.4,52 47.829,53 2.957,54 1.278,55 3.413,56 48.056,57 3.998,58 4.143,59 1,60 15.708,61 15.708,62 15.708,63 15.708,64 15.708,65 48.388,66 1,67 4.999,68 2.733,69 5.6}
{0 CHEMBL162,1 2,2 1,4 1,6 4,7 3.726,8 1.553,10 7.654,11 7.654,12 1.493,13 3.764,14 1,15 1.115,16 83.28,17 1.195,18 1,19 26,20 15.835,21 2.126,22 43.083,23 1,24 28.268,25 2.063,26 1.517,27 4.366,29 5.285,30 5.285,31 8.285,32 5.285,33 3.658,34 1.293,35 5.021,36 1.342,37 1.55,38 3.043,39 312.869,41 0.273,42 2.371,43 1.54,44 1.223,45 3.734,46 3.347,47 3.624,48 3.221,49 25.211,50 7,51 1.751,52 67.063,53 3.293,54 1.577,55 3.623,56 67.01,57 4.263,58 4.727,60 20.655,61 20.655,62 20.655,63 20.655,64 20.655,65 67.299,66 0.75,67 5.337,68 2.985,69 5.638}
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{0 CHEMBL1739550,1 3,3 2,4 2,6 8,7 3.736,8 1.429,9 1,10 5.121,11 5.121,12 1.369,13 3.78,14 3,15 1.064,16 196.983,17 1.153,18 3,19 25,20 9.489,21 1.268,22 36.034,23 4,24 22.139,25 1.547,26 1.385,27 4.148,28 1,29 4.641,30 4.641,31 7.641,32 4.641,33 2.944,34 1.175,35 4.787,36 0.927,37 1.376,38 2.567,39 219.998,40 2.483,41 0.254,42 2,43 1.345,44 1.123,45 3.904,46 3.206,47 3.602,48 3.003,49 28.311,50 9,51 1.474,52 47.973,53 3.087,54 1.431,55 3.596,56 48.037,57 4.045,58 4.127,59 1,60 15.886,61 15.886,62 15.886,63 15.886,64 15.886,65 48.623,66 0.88,67 5.025,68 2.808,69 7.886}
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{0 CHEMBL1949788,6 1,7 3.394,8 1.112,10 3.683,11 3.683,12 1.062,13 3.42,15 0.78,17 0.839,18 2,19 12,20 5.826,21 0.672,22 10.572,23 2,24 11.925,25 0.441,26 1.107,27 3.999,29 4.001,30 4.001,31 7.001,32 4.001,33 2,34 0.886,35 4.507,36 -0.624,37 1.127,38 2.134,39 154.729,41 0.408,42 0.876,43 1.12,44 0.821,45 3.649,46 2.932,47 3.263,48 2.854,49 25.238,50 6,51 1.316,52 37.078,53 2.925,54 1.181,55 3.268,56 37.167,57 3.888,58 3.738,60 12.653,61 12.653,62 12.653,63 12.653,64 12.653,65 37.758,66 1,67 4.79,68 2.715,69 4.301}
{0 CHEMBL1949789,6 1,7 3.394,8 1.112,10 3.683,11 3.683,12 1.062,13 3.42,15 0.78,17 0.839,18 2,19 12,20 5.826,21 0.672,22 10.572,23 2,24 11.925,25 0.441,26 1.107,27 3.999,29 4.001,30 4.001,31 7.001,32 4.001,33 2,34 0.886,35 4.507,36 -0.624,37 1.127,38 2.134,39 154.729,41 0.408,42 0.876,43 1.12,44 0.821,45 3.649,46 2.932,47 3.263,48 2.854,49 25.238,50 6,51 1.316,52 37.078,53 2.925,54 1.181,55 3.268,56 37.167,57 3.888,58 3.738,60 12.653,61 12.653,62 12.653,63 12.653,64 12.653,65 37.758,66 1,67 4.79,68 2.715,69 4.301}
{0 CHEMBL1958401,6 4,7 3.233,8 1.102,10 2.605,11 2.605,12 1.054,13 3.309,15 0.701,17 0.738,19 18,20 5.88,21 0.215,22 21.147,23 3,24 14.183,26 1.004,27 3.968,29 3.85,30 3.85,31 6.85,32 3.85,33 1.555,34 0.837,35 4.475,36 -1,37 1.062,38 1.544,39 124.988,41 0.374,42 0.377,43 0.905,44 0.757,45 3.478,46 2.926,47 3.033,48 2.854,49 14.13,50 5,51 1.128,52 31.979,53 2.925,54 1.085,55 3.031,56 31.991,57 3.734,58 3.611,60 10.938,61 10.938,62 10.938,63 10.938,64 10.938,65 32.473,66 1,67 4.86,68 2.656,69 5.6}
{0 CHEMBL196363,3 1,4 1,6 5,7 3.442,8 1.225,10 4.688,11 4.688,12 1.062,13 3.491,15 0.821,16 62.79,17 0.886,19 21,20 8.669,21 1.042,22 24.218,23 3,24 17.311,25 0.764,26 1.107,27 4.093,29 4.626,30 4.626,31 7.626,32 4.626,33 2.365,34 0.893,35 4.496,36 -0.304,37 1.23,38 2.741,39 198.864,41 0.272,42 1.182,43 1.162,44 0.839,45 3.687,46 3.107,47 3.226,48 2.866,49 26.123,50 7,51 1.375,52 44.744,53 2.94,54 1.181,55 3.188,56 44.638,57 3.903,58 4.025,60 14.831,61 14.831,62 14.831,63 14.831,64 14.831,65 45.308,66 1,67 4.72,68 2.715,69 5.6}
{0 CHEMBL1964290,1 1,6 5,7 3.289,8 1.289,10 3.225,11 3.225,12 1.22,13 3.357,14 1,15 0.813,16 60.596,17 0.899,19 17,20 6.925,21 0.498,22 6.931,23 3,24 9.269,25 0.234,26 1.228,27 4.088,29 4.333,30 4.333,31 7.333,32 4.333,33 2,34 0.944,35 4.42,36 -0.947,37 1.285,38 2.143,39 154.349,41 0.399,42 0.691,43 1.195,44 0.844,45 3.666,46 3.127,47 3.03,48 2.718,49 16.817,50 6,51 1.269,52 37.986,53 2.789,54 1.246,55 3.048,56 38.021,57 3.793,58 3.892,60 12.301,61 12.301,62 12.301,63 12.301,64 12.301,65 38.579,66 1,67 4.596,68 2.545,69 5.6}
{0 CHEMBL1964413,1 2,3 1,4 1,6 5,7 3.441,8 1.223,10 4.772,11 4.772,12 1.068,13 3.481,15 0.736,16 153.472,17 0.82,18 1,19 20,20 8.714,21 0.801,22 21.746,23 3,24 15.723,25 1.062,26 1.083,27 4.123,29 4.392,30 4.392,31 7.392,32 4.392,33 2.81,34 0.963,35 4.56,36 0.121,37 1.302,38 2.75,39 222.416,41 0.29,42 1.362,43 1.039,44 0.905,45 3.728,46 3.019,47 3.225,48 2.834,49 27.201,50 11,51 1.232,52 49.787,53 2.919,54 1.112,55 3.188,56 50.314,57 3.873,58 4.127,60 15.822,61 15.822,62 15.822,63 15.822,64 15.822,65 50.953,66 0.88,67 4.673,68 2.586,69 5.6}
{0 CHEMBL1964444,6 4,7 3.422,8 1.115,10 4.233,11 4.233,12 0.943,13 3.473,15 0.613,17 0.679,19 16,20 7.046,21 0.669,22 25.872,23 2,24 18.603,25 0.323,26 0.953,27 4.081,29 4.463,30 4.463,31 7.463,32 4.463,33 2.277,34 0.889,35 4.424,36 -0.951,37 1.106,38 2.553,39 172.421,41 0.345,42 0.797,43 0.925,44 0.825,45 3.691,46 2.984,47 3.196,48 2.74,49 19.139,50 8,51 1.22,52 40.635,53 2.808,54 1.114,55 3.14,56 40.816,57 3.773,58 3.871,60 13.356,61 13.356,62 13.356,63 13.356,64 13.356,65 41.304,66 1,67 4.622,68 2.549,69 6.4}
{0 CHEMBL1964644,6 4,7 3.321,8 0.941,10 2.136,11 2.136,12 0.721,13 3.363,15 0.38,16 59.23,17 0.46,18 1,19 11,20 4.616,21 0.097,22 24.954,23 2,24 16.902,25 -0.209,26 0.759,27 3.954,29 4.018,30 4.018,31 7.018,32 4.018,33 1.097,34 0.678,35 4.067,36 -1.677,37 0.918,38 1.691,39 137.938,41 0.407,42 0.198,43 0.654,44 0.676,45 3.716,46 2.663,47 3.001,48 2.346,49 14.576,50 8,51 1.152,52 29.175,53 2.407,54 0.892,55 2.93,56 29.116,57 3.509,58 3.434,60 9.884,61 9.884,62 9.884,63 9.884,64 9.884,65 29.436,66 1,67 4.266,68 2.126,69 5.6}
{0 CHEMBL1964687,6 5,7 3.519,8 1.294,10 5.693,11 5.693,12 1.252,13 3.576,15 0.927,16 46.891,17 0.991,19 23,20 10.732,21 1.187,22 33.935,23 2,24 25.444,25 1.017,26 1.271,27 4.142,29 4.724,30 4.724,31 7.724,32 4.724,33 2.628,34 1.107,35 4.709,36 0.083,37 1.285,38 2.772,39 235.205,41 0.25,42 1.311,43 1.202,44 1.069,45 3.846,46 3.181,47 3.345,48 3.029,49 30.009,50 7,51 1.511,52 51.665,53 3.118,54 1.285,55 3.338,56 51.573,57 4.048,58 4.234,60 16.842,61 16.842,62 16.842,63 16.842,64 16.842,65 52.117,66 0.88,67 4.935,68 2.853,69 5.6}
{0 CHEMBL1964692,1 1,2 1,6 6,7 3.476,8 1.319,10 5.282,11 5.282,12 1.105,13 3.528,14 1,15 0.85,16 75.198,17 0.91,19 21,20 9.646,21 1.179,22 31.901,23 3,24 22.502,25 1.048,26 1.119,27 4.136,29 4.708,30 4.708,31 7.708,32 4.708,33 2.731,34 1.065,35 4.66,36 0.115,37 1.387,38 2.736,39 221.461,41 0.263,42 1.36,43 1.181,44 0.982,45 3.861,46 3.256,47 3.25,48 2.92,49 31.74,50 10,51 1.374,52 51.91,53 2.991,54 1.205,55 3.204,56 52.13,57 4.012,58 4.174,60 16.79,61 16.79,62 16.79,63 16.79,64 16.79,65 52.714,66 1,67 4.855,68 2.756,69 6.1}
{0 CHEMBL1964777,6 2,7 3.077,8 0.977,10 2.609,11 2.609,12 0.741,13 3.133,15 0.431,16 38.467,17 0.497,19 15,20 6.006,21 0.301,22 12.031,23 2,24 10.922,25 -0.064,26 0.758,27 4.078,29 4.534,30 4.534,31 7.534,32 4.534,33 1.699,34 0.786,35 4.038,36 -1.5,37 0.932,38 2.214,39 159.938,41 0.391,42 0.491,43 0.653,44 0.744,45 3.573,46 2.784,47 2.89,48 2.35,49 13.33,50 6,51 0.936,52 33.05,53 2.441,54 0.986,55 2.893,56 33.113,57 3.522,58 3.714,60 10.883,61 10.883,62 10.883,63 10.883,64 10.883,65 33.578,66 1,67 4.254,68 2.035,69 5.6}
{0 CHEMBL1964804,2 1,6 3,7 3.448,8 1.112,10 3.059,11 3.059,12 0.928,13 3.491,14 1,15 0.607,17 0.686,18 2,19 16,20 6.449,21 0.82,22 6.587,23 2,24 6.915,25 0.357,26 0.955,27 4.094,29 4.423,30 4.423,31 7.423,32 4.423,33 2,34 0.79,35 4.48,36 -0.927,37 1.096,38 2.272,39 187.313,41 0.327,42 0.882,43 0.963,44 0.732,45 3.509,46 2.914,47 3.289,48 2.724,49 23.403,50 7,51 1.357,52 38.585,53 2.797,54 1.061,55 3.286,56 38.569,57 3.824,58 3.761,60 12.887,61 12.887,62 12.887,63 12.887,64 12.887,65 38.455,66 1,67 4.724,68 2.529,69 5.6}
{0 CHEMBL1965131,6 2,7 3.376,8 1.07,10 3.971,11 3.971,12 0.913,13 3.416,15 0.774,16 50.849,17 0.82,19 15,20 7.14,21 0.5,22 17.631,23 2,24 14.937,25 0.085,26 0.972,27 4.104,29 4.716,30 4.716,31 7.716,32 4.716,33 2,34 0.886,35 4.259,36 -1.075,37 1.06,38 2.625,39 215.165,41 0.392,42 0.624,43 0.839,44 0.821,45 3.822,46 2.925,47 3.197,48 2.854,49 17.271,50 7,51 1.255,52 39.576,53 2.912,54 1.007,55 3.187,56 39.541,57 3.703,58 3.951,60 12.757,61 12.757,62 12.757,63 12.757,64 12.757,65 40.2,66 1,67 4.487,68 2.68,69 5.6}
{0 CHEMBL1965423,1 2,3 2,4 2,6 5,7 3.661,8 1.308,10 5.202,11 5.202,12 1.239,13 3.724,15 0.829,16 180.895,17 0.934,18 1,19 23,20 10.103,21 1.221,22 4.198,23 3,24 7.489,25 1.204,26 1.299,27 4.199,29 4.71,30 4.71,31 7.71,32 4.71,33 2.707,34 1.172,35 4.695,36 0.42,37 1.266,38 2.784,39 234.106,41 0.288,42 1.723,43 1.224,44 1.142,45 3.886,46 3.037,47 3.528,48 2.874,49 24.644,50 7,51 1.465,52 50.907,53 3.009,54 1.282,55 3.547,56 50.917,57 4.016,58 4.248,60 16.318,61 16.318,62 16.318,63 16.318,64 16.318,65 51.641,66 0.75,67 4.938,68 2.715,69 5.6}
{0 CHEMBL1965507,2 1,3 1,4 1,6 6,7 3.484,8 1.283,10 5.636,11 5.636,12 1.151,13 3.534,15 0.821,16 75.098,17 0.886,19 21,20 9.334,21 1.188,22 34.91,23 3,24 24.83,25 1.157,26 1.164,27 4.07,28 1,29 4.613,30 4.613,31 7.613,32 4.613,33 2.674,34 1.008,35 4.582,36 0.233,37 1.287,38 2.806,39 217.856,41 0.254,42 1.492,43 1.179,44 0.966,45 3.771,46 3.171,47 3.266,48 2.971,49 32.8,50 9,51 1.467,52 49.136,53 3.074,54 1.181,55 3.22,56 49.042,57 3.994,58 4.094,60 16.304,61 16.304,62 16.304,63 16.304,64 16.304,65 49.805,66 1,67 4.818,68 2.749,69 5.6}
{0 CHEMBL1965570,3 3,4 3,6 4,7 3.764,8 1.351,10 5.415,11 5.415,12 1.176,13 3.78,15 0.84,16 153.413,17 0.891,19 26,20 10.591,21 2.118,22 18.707,23 4,24 14.841,25 1.618,26 1.184,27 4.135,29 4.724,30 4.724,31 7.724,32 4.724,33 3,34 1.188,35 4.591,36 1.029,37 1.309,38 2.839,39 244.615,41 0.236,42 2.173,43 1.181,44 1.168,45 3.602,46 3.106,47 3.652,48 2.907,49 36.559,50 8,51 1.45,52 54.023,53 2.964,54 1.277,55 3.652,56 54.019,57 4.031,58 4.263,60 17.781,61 17.781,62 17.781,63 17.781,64 17.781,65 54.593,66 0.88,67 4.856,68 2.737,69 6.3}
{0 CHEMBL1965589,1 1,3 1,4 1,6 6,7 3.762,8 1.316,9 1,10 5.317,11 5.317,12 1.155,13 3.816,15 0.805,16 59.576,17 0.862,18 1,19 24,20 9.431,21 1.225,22 17.95,23 4,24 15.053,25 1.091,26 1.138,27 4.162,29 4.727,30 4.727,31 7.727,32 4.727,33 2.879,34 1.105,35 4.679,36 0.173,37 1.319,38 2.843,39 228.744,41 0.283,42 1.361,43 1.114,44 1.033,45 4.04,46 3.224,47 3.62,48 2.904,49 27.88,50 9,51 1.394,52 51.789,53 2.959,54 1.269,55 3.597,56 51.851,57 4.02,58 4.22,60 16.755,61 16.755,62 16.755,63 16.755,64 16.755,65 52.365,66 0.88,67 4.927,68 2.735,69 5.6}
{0 CHEMBL1965631,1 2,2 3,3 1,4 1,6 7,7 3.683,8 1.35,10 4.195,11 4.195,12 1.239,13 3.755,14 2,15 0.821,16 141.952,17 0.934,18 2,19 20,20 8.669,21 1.107,22 26.806,23 3,24 18.24,25 0.879,26 1.308,27 4.128,29 4.521,30 4.521,31 7.521,32 4.521,33 2.684,34 1.098,35 4.699,36 -0.11,37 1.371,38 2.565,39 188.731,40 1.81,41 0.278,42 1.195,43 1.323,44 1.033,45 3.742,46 3.109,47 3.47,48 2.874,49 31.362,50 8,51 1.397,52 46.289,53 3.009,54 1.377,55 3.446,56 46.336,57 4.008,58 4.025,59 1,60 15.369,61 15.369,62 15.369,63 15.369,64 15.369,65 47.108,66 1,67 4.878,68 2.721,69 5.6}
{0 CHEMBL1965660,1 1,6 5,7 3.285,8 1.06,10 3.738,11 3.738,12 0.767,13 3.354,14 1,15 0.561,16 61.679,17 0.61,19 17,20 7.023,21 0.51,22 6.774,23 3,24 9.189,25 0.235,26 0.792,27 4.078,29 4.314,30 4.314,31 7.314,32 4.314,33 2,34 0.868,35 4.215,36 -0.943,37 1.017,38 2.271,39 174.818,41 0.394,42 0.692,43 0.755,44 0.824,45 3.595,46 2.887,47 3.01,48 2.569,49 17.365,50 8,51 1.251,52 37.958,53 2.654,54 1.097,55 2.952,56 38.311,57 3.67,58 3.871,60 12.327,61 12.327,62 12.327,63 12.327,64 12.327,65 38.725,66 1,67 4.453,68 2.365,69 5.6}
{0 CHEMBL1965836,1 1,6 4,7 3.59,8 1.29,10 5.414,11 5.414,12 1.216,13 3.649,14 1,15 0.885,16 83.142,17 0.954,18 1,19 21,20 9.374,21 1.145,22 16.1,23 3,24 16.206,25 1.468,26 1.233,27 4.124,29 4.51,30 4.51,31 7.51,32 4.51,33 3.073,34 1.032,35 4.773,36 0.639,37 1.287,38 2.649,39 217.561,41 0.25,42 1.715,43 1.153,44 0.991,45 3.865,46 3.13,47 3.414,48 2.978,49 35.055,50 9,51 1.486,52 52.534,53 3.055,54 1.231,55 3.41,56 52.807,57 4.095,58 4.111,60 17.33,61 17.33,62 17.33,63 17.33,64 17.33,65 53.417,66 1,67 4.968,68 2.79,69 5.6}
{0 CHEMBL1966087,2 1,6 3,7 3.271,8 0.981,10 2.452,11 2.452,12 0.892,13 3.323,14 1,15 0.58,16 56.338,17 0.659,18 2,19 17,20 5.543,21 0.392,22 15.849,23 3,24 11.026,25 -0.003,26 0.913,27 3.965,29 3.73,30 3.73,31 6.73,32 3.73,33 1.555,34 0.749,35 4.398,36 -1.327,37 0.98,38 1.768,39 120.594,41 0.338,42 0.5,43 0.939,44 0.697,45 3.346,46 2.925,47 3.141,48 2.699,49 16.27,50 4,51 1.32,52 31.58,53 2.774,54 0.997,55 3.138,56 31.627,57 3.708,58 3.555,60 10.933,61 10.933,62 10.933,63 10.933,64 10.933,65 31.961,66 1,67 4.685,68 2.511,69 5.6}
{0 CHEMBL1966279,6 5,7 3.717,8 1.396,10 5.13,11 5.13,12 1.276,13 3.76,15 0.969,17 1,18 2,19 22,20 9.954,21 1.784,22 18.535,23 3,24 19.367,25 1.926,26 1.305,27 4.095,28 1,29 4.703,30 4.703,31 7.703,32 4.703,33 3.067,34 1.157,35 4.789,36 1.405,37 1.426,38 2.638,39 268.679,41 0.257,42 2.494,43 1.183,44 1.124,45 3.567,46 3.306,47 3.567,48 3.052,49 39.862,50 10,51 1.616,52 55.148,53 3.131,54 1.308,55 3.611,56 55.22,57 4.152,58 4.234,60 18.215,61 18.215,62 18.215,63 18.215,64 18.215,65 55.617,66 0.75,67 5.113,68 2.921,69 5.6}
{0 CHEMBL1966343,1 1,6 4,7 3.302,8 1.132,10 3.066,11 3.066,12 0.967,13 3.372,15 0.586,16 89.696,17 0.679,19 14,20 5.899,22 3.971,23 2,24 6.8,25 -0.149,26 1.001,27 4.124,29 4.511,30 4.511,31 7.511,32 4.511,33 1.393,34 0.815,35 4.345,36 -1.437,37 1.16,38 1.869,39 130.925,41 0.387,42 0.026,43 1.042,44 0.743,45 3.664,46 2.866,47 3.13,48 2.693,49 13.269,50 5,51 1.268,52 31.978,53 2.806,54 1.085,55 3.115,56 31.991,57 3.673,58 3.689,60 10.376,61 10.376,62 10.376,63 10.376,64 10.376,65 32.582,66 1,67 4.573,68 2.364,69 5.6}
{0 CHEMBL1966628,1 1,3 1,4 1,6 6,7 3.371,8 1.179,10 3.49,11 3.49,12 1.11,13 3.438,15 0.693,16 45.114,17 0.787,19 21,20 7.336,21 0.656,22 20,23 3,24 12.649,25 0.332,26 1.123,27 4.124,29 4.531,30 4.531,31 7.531,32 4.531,33 2,34 1.003,35 4.607,36 -0.825,37 1.172,38 2.222,39 156.491,41 0.307,42 0.729,43 1.099,44 0.952,45 3.607,46 2.98,47 3.221,48 2.83,49 17.732,50 6,51 1.323,52 38.914,53 2.922,54 1.179,55 3.214,56 38.913,57 3.875,58 3.892,60 12.875,61 12.875,62 12.875,63 12.875,64 12.875,65 39.111,66 1,67 4.977,68 2.607,69 5.6}
{0 CHEMBL1966722,6 3,7 3.561,8 1.107,10 3.646,11 3.646,12 1.062,13 3.617,14 2,15 0.821,17 0.886,19 18,20 7.684,21 0.719,22 21.476,23 3,24 18.538,25 0.896,26 1.107,27 4.013,29 4.137,30 4.137,31 7.137,32 4.137,33 2.645,34 0.886,35 4.49,36 0.038,37 1.062,38 2.499,39 194.863,41 0.341,42 1.394,43 1.181,44 0.821,45 3.016,46 2.925,47 3.366,48 2.854,49 26.306,50 7,51 1.386,52 44.291,53 2.925,54 1.181,55 3.395,56 44.624,57 3.926,58 3.989,60 14.772,61 14.772,62 14.772,63 14.772,64 14.772,65 45.043,66 1,67 4.85,68 2.715,69 5.6}
{0 CHEMBL1966816,6 4,7 3.392,8 0.961,10 3.817,11 3.817,12 0.828,13 3.44,15 0.606,17 0.663,19 16,20 7.206,21 0.671,22 25.064,23 2,24 17.805,25 0.36,26 0.859,27 4.077,29 4.528,30 4.528,31 7.528,32 4.528,33 2.276,34 0.7,35 4.337,36 -0.927,37 0.969,38 2.427,39 177.177,41 0.346,42 0.882,43 0.894,44 0.642,45 3.575,46 2.84,47 3.181,48 2.66,49 18.806,50 9,51 1.204,52 40.627,53 2.715,54 0.929,55 3.127,56 40.834,57 3.717,58 3.892,60 13.34,61 13.34,62 13.34,63 13.34,64 13.34,65 41.281,66 1,67 4.574,68 2.542,69 5.6}
{0 CHEMBL1967302,1 1,2 1,3 1,4 1,6 4,7 3.623,8 1.274,10 5.187,11 5.187,12 1.184,13 3.685,14 1,15 0.932,16 143.43,17 0.98,18 1,19 24,20 9.848,21 1.643,22 20.104,23 3,24 17.176,25 1.407,26 1.188,27 4.132,29 4.474,30 4.474,31 7.474,32 4.474,33 3.019,34 1.049,35 4.727,36 0.587,37 1.263,38 2.548,39 205.921,41 0.229,42 1.688,43 1.165,44 0.997,45 3.86,46 3.076,47 3.476,48 2.937,49 30.009,50 6,51 1.612,52 51.432,53 3.007,54 1.285,55 3.48,56 51.318,57 4.068,58 4.174,60 16.84,61 16.84,62 16.84,63 16.84,64 16.84,65 51.719,66 0.88,67 5.029,68 2.801,69 5.6}
{0 CHEMBL1967531,3 1,4 1,6 5,7 3.426,8 1.107,10 4.034,11 4.034,12 1.062,13 3.473,15 0.821,16 59.466,17 0.886,19 21,20 8.318,21 1.042,22 20.83,23 3,24 14.885,25 0.758,26 1.107,27 4.092,29 4.626,30 4.626,31 7.626,32 4.626,33 2.364,34 0.886,35 4.407,36 -0.309,37 1.062,38 2.631,39 191.864,41 0.276,42 1.174,43 1.162,44 0.821,45 3.343,46 2.942,47 3.211,48 2.854,49 24.769,50 7,51 1.372,52 43.087,53 2.925,54 1.181,55 3.177,56 43.019,57 3.843,58 3.989,60 14.348,61 14.348,62 14.348,63 14.348,64 14.348,65 43.579,66 1,67 4.662,68 2.715,69 5.6}
{0 CHEMBL1967544,2 2,6 5,7 3.73,8 1.533,10 4.795,11 4.795,12 1.458,13 3.74,14 1,15 1.278,17 1.293,18 2,19 26,20 12.001,21 2.18,22 24.466,23 3,24 16.804,25 2.042,26 1.485,27 4.19,29 4.902,30 4.902,31 7.902,32 4.902,33 3.406,34 1.35,35 4.923,36 1.478,37 1.516,38 2.99,39 301.232,40 3.328,41 0.263,42 2.488,43 1.417,44 1.294,45 3.44,46 3.427,47 3.611,48 3.359,49 36.093,50 8,51 1.628,52 60.877,53 3.397,54 1.521,55 3.655,56 60.907,57 4.242,58 4.407,59 2,60 19.714,61 19.714,62 19.714,63 19.714,64 19.714,65 60.998,66 0.75,67 5.165,68 3.183,69 5.6}
{0 CHEMBL1967564,1 1,6 4,7 3.243,8 0.995,10 2.851,11 2.851,12 0.794,13 3.311,14 2,15 0.402,16 31.328,17 0.505,19 13,20 5.982,21 0.028,22 10.484,23 1,24 8.052,25 -0.055,26 0.808,27 4.159,29 4.66,30 4.66,31 7.66,32 4.66,33 1.41,34 0.74,35 4.284,36 -1.561,37 0.976,38 2.035,39 128.126,41 0.398,42 0.453,43 0.84,44 0.689,45 3.624,46 2.765,47 3.017,48 2.463,49 14.022,50 5,51 1.239,52 31.207,53 2.546,54 0.973,55 3.003,56 31.206,57 3.614,58 3.689,60 10.368,61 10.368,62 10.368,63 10.368,64 10.368,65 31.397,66 1,67 4.544,68 2.234,69 5.6}
{0 CHEMBL1967887,1 1,6 4,7 3.392,8 1.015,10 2.656,11 2.656,12 0.975,13 3.459,14 1,15 0.594,16 43.454,17 0.699,18 2,19 15,20 5.992,21 0.192,22 7.082,23 2,24 7.63,25 0.097,26 1.002,27 4.121,29 4.51,30 4.51,31 7.51,32 4.51,33 1.676,34 0.778,35 4.355,36 -1.304,37 0.984,38 1.811,39 131.511,41 0.379,42 0.586,43 1.024,44 0.7,45 3.728,46 2.888,47 3.23,48 2.663,49 14.19,50 5,51 1.394,52 32.576,53 2.748,54 1.051,55 3.231,56 32.501,57 3.697,58 3.714,60 10.841,61 10.841,62 10.841,63 10.841,64 10.841,65 32.59,66 1,67 4.546,68 2.461,69 5.6}
{0 CHEMBL1968127,1 1,2 1,3 2,4 2,6 6,7 3.736,8 1.39,10 4.823,11 4.823,12 1.272,13 3.794,15 0.955,16 138.31,17 1.045,18 2,19 20,20 9.355,21 1.148,22 21.18,23 3,24 14.469,25 1.19,26 1.308,27 4.17,29 4.679,30 4.679,31 7.679,32 4.679,33 2.742,34 1.141,35 4.85,36 0.343,37 1.375,38 2.74,39 210.664,40 2.163,41 0.298,42 1.697,43 1.408,44 1.103,45 3.738,46 3.174,47 3.581,48 2.874,49 30.258,50 8,51 1.417,52 50.081,53 3.009,54 1.417,55 3.556,56 50.14,57 4.112,58 4.127,59 1,60 16.324,61 16.324,62 16.324,63 16.324,64 16.324,65 51.067,66 1,67 5.038,68 2.715,69 5.6}
{0 CHEMBL1968151,1 1,3 1,4 1,6 5,7 3.185,8 0.933,10 2.752,11 2.752,12 0.66,13 3.229,14 1,15 0.272,16 59.544,17 0.36,19 18,20 6.856,21 0.194,22 14.401,23 2,24 10.18,25 -0.049,26 0.661,27 4.074,29 4.344,30 4.344,31 7.344,32 4.344,33 1.555,34 0.66,35 4.035,36 -1.5,37 0.943,38 1.67,39 164.439,41 0.372,42 0.354,43 0.613,44 0.596,45 3.69,46 2.541,47 2.946,48 2.257,49 11.446,50 7,51 1.09,52 33.992,53 2.305,54 0.808,55 2.884,56 33.955,57 3.466,58 3.85,60 10.898,61 10.898,62 10.898,63 10.898,64 10.898,65 34.533,66 1,67 4.179,68 2.115,69 5.6}
{0 CHEMBL1968380,1 1,2 1,6 7,7 3.784,8 1.614,10 6.625,11 6.625,12 1.568,13 3.839,14 1,15 1.19,16 95.957,17 1.276,18 2,19 27,20 12.164,21 1.992,22 69.22,23 4,24 41.796,25 1.984,26 1.571,27 4.048,29 4.074,30 4.074,31 7.074,32 4.074,33 3.31,34 1.331,35 5.248,36 1,37 1.622,38 2.7,39 269.849,40 6.183,41 0.238,42 2,43 1.571,44 1.264,45 3.502,46 3.423,47 3.649,48 3.241,49 45.526,50 10,51 1.52,52 62.777,53 3.314,54 1.61,55 3.649,56 62.827,57 4.432,58 4.431,59 3,60 20.56,61 20.56,62 20.56,63 20.56,64 20.56,65 63.096,66 0.63,67 5.562,68 2.983,69 5.6}
{0 CHEMBL1968406,6 5,7 3.525,8 1.29,10 5.742,11 5.742,12 1.173,13 3.584,15 0.839,16 46.988,17 0.893,19 23,20 10.413,21 1.311,22 29.077,23 2,24 24.231,25 1.43,26 1.187,27 4.142,29 4.724,30 4.724,31 7.724,32 4.724,33 2.693,34 1.103,35 4.707,36 0.482,37 1.284,38 2.77,39 233.205,41 0.249,42 1.584,43 1.162,44 1.068,45 3.811,46 3.18,47 3.347,48 3,49 30.72,50 7,51 1.512,52 51.185,53 3.103,54 1.227,55 3.34,56 51.168,57 4.048,58 4.234,60 16.77,61 16.77,62 16.77,63 16.77,64 16.77,65 51.38,66 0.88,67 4.974,68 2.794,69 5.6}
{0 CHEMBL1968791,1 1,2 1,6 5,7 3.816,8 1.644,10 6.559,11 6.559,12 1.414,13 3.854,15 1.137,16 174.317,17 1.185,18 4,19 30,20 11.852,21 1.942,22 26.054,23 5,24 25.723,25 2,26 1.425,27 4.186,29 4.825,30 4.825,31 7.825,32 4.825,33 3.247,34 1.408,35 5.069,36 1.196,37 1.621,38 2.737,39 248.645,40 2.633,41 0.223,42 2.226,43 1.449,44 1.33,45 3.547,46 3.268,47 3.713,48 3.071,49 45.022,50 6,51 1.688,52 59.854,53 3.169,54 1.671,55 3.708,56 59.928,57 4.315,58 4.394,59 1,60 19.822,61 19.822,62 19.822,63 19.822,64 19.822,65 60.234,66 0.63,67 5.359,68 2.868,69 6.2}
{0 CHEMBL1969042,1 2,6 3,7 3.669,8 1.107,10 5.301,11 5.301,12 1.062,13 3.72,14 1,15 0.821,16 75.579,17 0.886,19 23,20 8.078,21 1.062,22 20.988,23 4,24 15.957,25 0.846,26 1.107,27 4.077,28 4,29 4.321,30 4.321,31 7.321,32 4.321,33 2.333,34 0.886,35 4.443,36 -0.117,37 1.066,38 2.704,39 180.422,41 0.316,42 1.204,43 1.181,44 0.821,45 3.026,46 2.925,47 3.52,48 2.854,49 24.798,50 6,51 1.357,52 44.834,53 2.925,54 1.181,55 3.494,56 44.971,57 3.916,58 4.025,60 14.808,61 14.808,62 14.808,63 14.808,64 14.808,65 45.414,66 1,67 4.768,68 2.715,69 5.6}
{0 CHEMBL1969049,2 1,6 2,7 3.506,8 1.281,10 3.512,11 3.512,12 1.062,13 3.566,15 0.821,17 0.886,19 18,20 7.432,21 0.755,22 19.526,23 3,24 15.446,25 0.514,26 1.107,27 4.03,29 4.094,30 4.094,31 7.094,32 4.094,33 2.257,34 1.034,35 4.606,36 -0.575,37 1.281,38 2.114,39 160.982,41 0.33,42 0.842,43 1.181,44 0.985,45 3.323,46 3.132,47 3.327,48 2.854,49 24.533,50 4,51 1.408,52 41.264,53 2.925,54 1.248,55 3.32,56 41.158,57 3.941,58 3.912,60 13.738,61 13.738,62 13.738,63 13.738,64 13.738,65 41.725,66 1,67 4.823,68 2.715,69 5.6}
{0 CHEMBL1969126,1 2,3 2,4 2,6 5,7 3.586,8 1.308,10 4.873,11 4.873,12 1.239,13 3.65,15 0.805,16 169.927,17 0.934,19 23,20 10.156,21 1.285,22 6.987,23 3,24 9.58,25 1.184,26 1.281,27 4.201,29 4.708,30 4.708,31 7.708,32 4.708,33 2.742,34 1.038,35 4.583,36 0.315,37 1.301,38 2.802,39 220.517,41 0.298,42 1.674,43 1.213,44 0.957,45 3.864,46 3.009,47 3.433,48 2.878,49 22.102,50 8,51 1.453,52 49.612,53 2.959,54 1.267,55 3.441,56 49.788,57 3.925,58 4.248,60 15.792,61 15.792,62 15.792,63 15.792,64 15.792,65 50.284,66 0.88,67 4.813,68 2.734,69 5.6}
{0 CHEMBL1969156,1 1,6 4,7 3.089,8 0.841,10 2.136,11 2.136,12 0.519,13 3.179,16 26.971,17 0.141,19 15,20 5.371,21 -0.414,22 2.5,23 2,24 3.162,25 -0.601,26 0.538,27 4.131,29 4.625,30 4.625,31 7.625,32 4.625,33 1.04,34 0.556,35 3.995,36 -2.133,37 0.819,38 1.5,39 111.354,41 0.454,42 -0.125,43 0.565,44 0.465,45 2.95,46 2.499,47 2.89,48 2.2,49 7.875,50 4,51 0.876,52 27.114,53 2.311,54 0.837,55 2.869,56 27.132,57 3.401,58 3.584,60 8.899,61 8.899,62 8.899,63 8.899,64 8.899,65 27.376,66 1,67 4.208,68 1.917,69 5.3}
{0 CHEMBL1969190,6 4,7 3.433,8 1.158,10 4.963,11 4.963,12 1.088,13 3.476,14 1,15 0.821,16 70.502,17 0.886,19 21,20 9.814,21 1.187,22 30.042,23 3,24 22.454,25 1.023,26 1.107,27 4.123,29 4.696,30 4.696,31 7.696,32 4.696,33 2.57,34 0.93,35 4.553,36 0.096,37 1.205,38 2.787,39 210.616,41 0.269,42 1.317,43 1.089,44 0.904,45 3.788,46 3.016,47 3.212,48 2.937,49 30.973,50 9,51 1.272,52 49.342,53 2.985,54 1.181,55 3.173,56 49.424,57 3.978,58 4.143,60 16.236,61 16.236,62 16.236,63 16.236,64 16.236,65 49.824,66 1,67 4.798,68 2.753,69 5.6}
{0 CHEMBL1969301,1 1,6 5,7 3.672,8 1.433,10 5.34,11 5.34,12 1.376,13 3.738,15 1.064,16 81.622,17 1.153,18 1,19 21,20 10.119,21 2,22 26.047,23 3,24 23.435,25 1.819,26 1.429,27 4.141,29 4.597,30 4.597,31 7.597,32 4.597,33 3.13,34 1.199,35 5.007,36 1,37 1.431,38 2.571,39 223.671,40 1.742,41 0.281,42 2.154,43 1.473,44 1.154,45 3.484,46 3.298,47 3.519,48 3.118,49 40.215,50 7,51 1.639,52 54.853,53 3.206,54 1.513,55 3.53,56 54.883,57 4.245,58 4.248,59 1,60 18.148,61 18.148,62 18.148,63 18.148,64 18.148,65 56.505,66 1,67 5.353,68 2.946,69 5.6}
{0 CHEMBL1969372,1 1,2 1,3 1,4 1,6 6,7 3.555,8 1.107,9 1,10 3.99,11 3.99,12 1.062,13 3.611,14 1,15 0.821,16 53.51,17 0.878,18 2,19 21,20 8.407,21 0.966,22 14.194,23 3,24 11,25 0.776,26 1.089,27 4.151,29 4.662,30 4.662,31 7.662,32 4.662,33 2.353,34 0.886,35 4.583,36 -0.18,37 1.091,38 2.27,39 186.087,41 0.32,42 1.182,43 1.093,44 0.821,45 3.765,46 2.97,47 3.34,48 2.854,49 25.213,50 8,51 1.448,52 44.383,53 2.925,54 1.181,55 3.331,56 44.441,57 3.919,58 4.043,60 14.835,61 14.835,62 14.835,63 14.835,64 14.835,65 44.74,66 1,67 4.766,68 2.715,69 5.6}
{0 CHEMBL1969502,1 1,3 1,4 1,6 4,7 3.486,8 1.21,10 4.355,11 4.355,12 1.062,13 3.544,15 0.821,16 44.306,17 0.886,19 21,20 8.833,21 1.091,22 18.934,23 3,24 17.303,25 0.881,26 1.107,27 4.161,29 4.655,30 4.655,31 7.655,32 4.655,33 2.693,34 0.997,35 4.5,36 -0.146,37 1.206,38 2.494,39 192.452,41 0.269,42 1.132,43 1.181,44 0.94,45 3.799,46 2.925,47 3.368,48 2.854,49 21.03,50 6,51 1.366,52 45.352,53 2.896,54 1.189,55 3.36,56 45.29,57 3.881,58 4.111,60 14.848,61 14.848,62 14.848,63 14.848,64 14.848,65 46.443,66 0.88,67 4.821,68 2.674,69 6.3}
{0 CHEMBL1969523,1 1,6 5,7 3.694,8 1.308,10 5.017,11 5.017,12 1.239,13 3.732,14 2,15 0.804,17 0.934,19 16,20 7.304,21 0.881,22 45.402,23 3,24 26.523,25 0.585,26 1.308,27 3.999,28 1,29 4.23,30 4.23,31 7.23,32 4.23,33 2,34 1,35 4.73,36 -0.466,37 1.239,38 2.441,39 187.391,41 0.331,42 0.936,43 1.417,44 0.931,45 3.669,46 3.107,47 3.572,48 2.874,49 27.357,50 7,51 1.604,52 45.39,53 3.009,54 1.417,55 3.557,56 45.304,57 4.053,58 4.007,60 14.776,61 14.776,62 14.776,63 14.776,64 14.776,65 46.517,66 1,67 4.961,68 2.596,69 5.6}
{0 CHEMBL1969537,1 2,6 6,7 3.231,8 0.824,10 4.044,11 4.044,12 0.485,13 3.271,15 0.1,16 88.035,17 0.197,19 18,20 8.639,21 0.15,22 4.228,23 1,24 8.037,25 -0.169,26 0.573,27 4.285,29 5.163,30 5.163,31 8.163,32 5.163,33 2,34 0.701,35 4.205,36 -1.295,37 0.763,38 2.391,39 221.279,41 0.38,42 0.315,43 0.533,44 0.674,45 3.611,46 2.543,47 3.116,48 2.362,49 9.7,50 9,51 1.253,52 38.412,53 2.459,54 0.732,55 3.174,56 38.603,57 3.563,58 4.111,60 11.854,61 11.854,62 11.854,63 11.854,64 11.854,65 38.453,66 0.88,67 4.382,68 2.144,69 5.6}
{0 CHEMBL1969588,1 1,3 1,4 1,6 4,7 3.376,8 1.107,10 3.45,11 3.45,12 0.992,13 3.441,15 0.795,16 47.771,17 0.838,18 1,19 21,20 7.7,21 0.712,22 17.755,23 3,24 11.313,25 0.43,26 1.024,27 4.13,29 4.535,30 4.535,31 7.535,32 4.535,33 2.081,34 0.886,35 4.399,36 -0.555,37 1.062,38 2.319,39 167.252,41 0.304,42 0.923,43 1.046,44 0.821,45 3.373,46 2.925,47 3.231,48 2.844,49 19.764,50 5,51 1.341,52 40.312,53 2.897,54 1.159,55 3.226,56 40.503,57 3.784,58 3.912,60 13.392,61 13.392,62 13.392,63 13.392,64 13.392,65 40.614,66 1,67 4.663,68 2.691,69 6.2}
{0 CHEMBL1969664,1 1,6 4,7 3.496,8 1.233,10 4.444,11 4.444,12 1.038,13 3.536,15 0.757,16 54.157,17 0.821,18 5,19 21,20 8.068,21 0.677,22 18.276,23 3,24 16.484,25 0.613,26 1.059,27 4.15,29 4.645,30 4.645,31 7.645,32 4.645,33 2.377,34 1.005,35 4.576,36 -0.393,37 1.251,38 2.361,39 171.256,40 2.336,41 0.299,42 1.021,43 1.078,44 0.942,45 3.93,46 3.058,47 3.373,48 2.833,49 23.232,50 6,51 1.395,52 41.709,53 2.897,54 1.193,55 3.354,56 41.735,57 3.885,58 3.989,59 1,60 13.793,61 13.793,62 13.793,63 13.793,64 13.793,65 43.118,66 1,67 4.842,68 2.637,69 5.6}
{0 CHEMBL1969755,2 1,6 2,7 3.59,8 1.107,10 3.089,11 3.089,12 1.062,13 3.644,15 0.821,17 0.886,18 1,19 18,20 7.365,21 0.819,22 9.598,23 3,24 10.264,25 0.726,26 1.107,27 4.018,29 4.072,30 4.072,31 7.072,32 4.072,33 2.268,34 0.886,35 4.521,36 -0.339,37 1.068,38 2.203,39 159.2,41 0.328,42 1.123,43 1.181,44 0.821,45 3.39,46 2.957,47 3.426,48 2.854,49 25.976,50 5,51 1.503,52 40.59,53 2.925,54 1.181,55 3.422,56 40.587,57 3.894,58 3.871,60 13.777,61 13.777,62 13.777,63 13.777,64 13.777,65 40.997,66 1,67 4.865,68 2.715,69 5.6}
{0 CHEMBL1969843,1 2,3 1,4 1,6 5,7 3.313,8 1.165,10 2.979,11 2.979,12 1.068,13 3.382,15 0.698,16 99.611,17 0.791,18 3,19 20,20 6.817,21 0.203,22 5.988,23 3,24 9.057,25 0.076,26 1.081,27 4.119,29 4.392,30 4.392,31 7.392,32 4.392,33 1.611,34 0.858,35 4.51,36 -1,37 1.178,38 1.932,39 147.121,41 0.307,42 0.573,43 1.05,44 0.784,45 3.711,46 2.987,47 3.127,48 2.562,49 16.653,50 6,51 1.229,52 35.832,53 2.667,54 1.129,55 3.107,56 35.849,57 3.776,58 3.807,60 11.909,61 11.909,62 11.909,63 11.909,64 11.909,65 36.284,66 1,67 4.784,68 2.266,69 5.6}
{0 CHEMBL1970104,1 2,6 4,7 3.395,8 1.308,10 4.061,11 4.061,12 1.077,13 3.462,14 1,15 0.804,16 80.878,17 0.914,19 18,20 7.3,21 0.555,22 5.882,23 2,24 6.063,25 0.133,26 1.092,27 4.179,29 4.595,30 4.595,31 7.595,32 4.595,33 2,34 0.934,35 4.491,36 -1,37 1.239,38 2.301,39 160.992,41 0.335,42 0.614,43 1.115,44 0.816,45 3.407,46 3.009,47 3.247,48 2.874,49 15.752,50 4,51 1.451,52 39.148,53 2.958,54 1.262,55 3.242,56 39.098,57 3.797,58 3.951,60 12.371,61 12.371,62 12.371,63 12.371,64 12.371,65 39.858,66 1,67 4.727,68 2.57,69 5.6}
{0 CHEMBL1970189,1 1,6 4,7 3.054,8 1.063,10 2.918,11 2.918,12 0.927,13 3.14,14 1,15 0.594,16 38.183,17 0.697,19 15,20 6.806,21 -0.059,22 15.265,23 2,24 14.014,25 -0.016,26 0.943,27 4.061,29 4.243,30 4.243,31 7.243,32 4.243,33 1.641,34 0.806,35 4.171,36 -1.393,37 1.021,38 2.009,39 153.663,41 0.458,42 0.332,43 0.925,44 0.699,45 3.962,46 2.921,47 2.847,48 2.544,49 10.7,50 6,51 1.075,52 33.225,53 2.634,54 1.018,55 2.856,56 33.45,57 3.576,58 3.85,60 10.76,61 10.76,62 10.76,63 10.76,64 10.76,65 34.929,66 1,67 4.399,68 2.277,69 5.6}
{0 CHEMBL1970203,2 1,3 1,4 1,6 6,7 3.489,8 1.314,10 5.674,11 5.674,12 1.25,13 3.539,15 0.889,16 78.578,17 0.94,19 21,20 9.867,21 1.193,22 39.769,23 3,24 27.256,25 1.157,26 1.255,27 4.071,28 1,29 4.613,30 4.613,31 7.613,32 4.613,33 2.701,34 1.064,35 4.657,36 0.233,37 1.3,38 2.807,39 224.856,41 0.251,42 1.492,43 1.181,44 1.008,45 3.853,46 3.199,47 3.269,48 3.016,49 34.127,50 9,51 1.467,52 50.798,53 3.108,54 1.283,55 3.222,56 50.672,57 4.046,58 4.127,60 16.804,61 16.804,62 16.804,63 16.804,64 16.804,65 51.536,66 1,67 4.868,68 2.819,69 5.6}
{0 CHEMBL1970314,6 3,7 3.299,8 1.016,10 2.953,11 2.953,12 0.747,13 3.351,15 0.445,17 0.513,19 16,20 6.163,21 0.388,22 4.851,23 2,24 5.987,25 0.053,26 0.788,27 4.107,29 4.524,30 4.524,31 7.524,32 4.524,33 1.657,34 0.782,35 4.164,36 -1.328,37 0.98,38 2.086,39 130.325,41 0.416,42 0.525,43 0.846,44 0.698,45 3.005,46 2.868,47 3.132,48 2.515,49 12.67,50 4,51 1.174,52 33.182,53 2.595,54 1.065,55 3.106,56 33.199,57 3.606,58 3.738,60 10.877,61 10.877,62 10.877,63 10.877,64 10.877,65 33.636,66 1,67 4.447,68 2.362,69 5.6}
{0 CHEMBL1970522,6 2,7 3.264,8 1.094,10 3.514,11 3.514,12 0.982,13 3.324,14 1,15 0.723,16 65.811,17 0.788,19 17,20 6.614,21 0.584,22 15.157,23 3,24 14.539,25 0.232,26 1.015,27 3.971,29 3.94,30 3.94,31 6.94,32 3.94,33 1.87,34 0.87,35 4.283,36 -0.987,37 1.062,38 2.022,39 169.63,41 0.342,42 0.717,43 1.042,44 0.821,45 3.607,46 2.925,47 3.043,48 2.764,49 19.985,50 6,51 1.223,52 36.567,53 2.837,54 1.098,55 3.026,56 36.539,57 3.732,58 3.784,60 12.299,61 12.299,62 12.299,63 12.299,64 12.299,65 37.059,66 1,67 4.473,68 2.595,69 5.6}
{0 CHEMBL1970806,1 1,6 5,7 3.363,8 1.043,10 3.949,11 3.949,12 0.988,13 3.412,14 1,15 0.658,16 57.413,17 0.737,19 22,20 8.736,21 0.5,22 20.315,23 2,24 15.889,25 0.296,26 1.005,27 4.111,29 4.474,30 4.474,31 7.474,32 4.474,33 2.4,34 0.831,35 4.442,36 -0.831,37 1.066,38 2.382,39 203.617,41 0.318,42 0.754,43 0.883,44 0.791,45 3.948,46 2.869,47 3.23,48 2.707,49 16.628,50 7,51 1.149,52 41.942,53 2.786,54 1.008,55 3.27,56 41.954,57 3.753,58 4.094,60 13.392,61 13.392,62 13.392,63 13.392,64 13.392,65 42.382,66 0.88,67 4.692,68 2.509,69 5.6}
{0 CHEMBL1970903,1 2,3 1,4 1,6 5,7 3.625,8 1.293,10 5.207,11 5.207,12 1.241,13 3.689,14 1,15 0.948,16 143.259,17 1.006,18 1,19 24,20 9.805,21 1.687,22 9.41,23 3,24 11.017,25 1.625,26 1.257,27 4.144,29 4.51,30 4.51,31 7.51,32 4.51,33 3.019,34 1.056,35 4.746,36 0.92,37 1.29,38 2.647,39 207.175,41 0.23,42 2.086,43 1.232,44 1.005,45 3.84,46 3.129,47 3.478,48 2.984,49 29.467,50 6,51 1.617,52 51.491,53 3.062,54 1.286,55 3.482,56 51.436,57 4.084,58 4.19,60 16.807,61 16.807,62 16.807,63 16.807,64 16.807,65 51.918,66 0.88,67 5.012,68 2.818,69 5.6}
{0 CHEMBL1970913,1 1,6 4,7 3.524,8 1.137,10 3.284,11 3.284,12 1.072,13 3.584,14 1,15 0.766,16 39.572,17 0.822,19 13,20 7.043,21 0.638,22 19.474,23 1,24 14.557,25 0.46,26 1.089,27 4.178,29 4.757,30 4.757,31 7.757,32 4.757,33 2,34 0.924,35 4.515,36 -0.733,37 1.115,38 2.24,39 157.201,41 0.4,42 0.808,43 1.097,44 0.863,45 3.498,46 3.029,47 3.371,48 2.833,49 19.569,50 6,51 1.472,52 37.079,53 2.9,54 1.174,55 3.377,56 37.147,57 3.812,58 3.892,60 12.257,61 12.257,62 12.257,63 12.257,64 12.257,65 37.321,66 1,67 4.782,68 2.608,69 5.6}
{0 CHEMBL1971029,1 2,2 2,6 7,7 3.751,8 1.517,10 6.421,11 6.421,12 1.376,13 3.788,14 1,15 1.064,17 1.153,18 4,19 24,20 10.553,21 1.808,22 56.529,23 4,24 35.803,25 1.967,26 1.429,27 4.089,29 4.736,30 4.736,31 7.736,32 4.736,33 3.109,34 1.184,35 5.002,36 1,37 1.492,38 2.988,39 332.329,40 4.044,41 0.271,42 2,43 1.513,44 1.107,45 3.889,46 3.298,47 3.591,48 3.122,49 42.156,50 13,51 1.639,52 59.67,53 3.206,54 1.563,55 3.579,56 59.731,57 4.284,58 4.317,59 2,60 19.547,61 19.547,62 19.547,63 19.547,64 19.547,65 59.673,66 0.75,67 5.227,68 2.935,69 6.4}
{0 CHEMBL1971141,6 3,7 3.44,8 1.134,10 4.145,11 4.145,12 1.062,13 3.486,15 0.821,17 0.886,19 18,20 7.204,21 0.823,22 24.07,23 3,24 16.973,25 0.566,26 1.107,27 4.025,29 3.979,30 3.979,31 6.979,32 3.979,33 2,34 0.942,35 4.485,36 -0.535,37 1.117,38 2.413,39 157.818,41 0.311,42 0.887,43 1.161,44 0.891,45 3.057,46 3.008,47 3.223,48 2.854,49 26.497,50 5,51 1.263,52 41.263,53 2.925,54 1.181,55 3.179,56 41.216,57 3.891,58 3.85,60 13.838,61 13.838,62 13.838,63 13.838,64 13.838,65 41.887,66 1,67 4.773,68 2.715,69 5.6}
{0 CHEMBL1971149,1 1,2 1,3 1,4 1,6 6,7 3.723,8 1.308,9 1,10 5.318,11 5.318,12 1.275,13 3.766,15 0.817,16 66.004,17 0.934,18 1,19 21,20 9.493,21 1.361,22 21.88,23 3,24 17.322,25 1.506,26 1.302,27 4.161,29 4.727,30 4.727,31 7.727,32 4.727,33 2.869,34 1.058,35 4.748,36 0.637,37 1.305,38 2.844,39 232.349,41 0.312,42 1.722,43 1.264,44 0.971,45 4.091,46 3.204,47 3.587,48 3.017,49 31.633,50 10,51 1.645,52 53.66,53 3.046,54 1.409,55 3.573,56 53.697,57 4.076,58 4.248,60 17.215,61 17.215,62 17.215,63 17.215,64 17.215,65 54.42,66 1,67 5.002,68 2.735,69 5.6}
{0 CHEMBL1971186,1 1,3 2,4 2,6 6,7 3.724,8 1.396,10 4.231,11 4.231,12 1.28,13 3.781,15 0.973,16 120.737,17 1.061,18 2,19 26,20 9.399,21 1.169,22 30.662,23 4,24 17.439,25 1.191,26 1.263,27 4.17,29 4.679,30 4.679,31 7.679,32 4.679,33 2.794,34 1.141,35 4.702,36 0.344,37 1.376,38 2.428,39 203.831,41 0.276,42 1.698,43 1.223,44 1.064,45 3.919,46 3.199,47 3.567,48 2.854,49 25.561,50 8,51 1.411,52 47.976,53 2.925,54 1.348,55 3.545,56 48.105,57 3.996,58 4.143,60 15.869,61 15.869,62 15.869,63 15.869,64 15.869,65 48.54,66 0.88,67 5.007,68 2.715,69 5.6}
{0 CHEMBL1971245,1 2,2 3,3 1,4 1,6 8,7 3.706,8 1.429,10 5.784,11 5.784,12 1.3,13 3.761,14 1,15 0.962,16 67.621,17 1.03,18 4,19 27,20 10.375,21 1.982,22 40.887,23 4,24 24.418,25 1.967,26 1.287,27 4.147,28 1,29 4.651,30 4.651,31 7.651,32 4.651,33 3.272,34 1.153,35 4.861,36 1,37 1.376,38 2.684,39 226.507,40 4.707,41 0.249,42 2,43 1.236,44 1.064,45 3.722,46 3.206,47 3.555,48 3.111,49 30.695,50 9,51 1.631,52 54.252,53 3.2,54 1.513,55 3.55,56 54.317,57 4.147,58 4.248,59 2,60 17.82,61 17.82,62 17.82,63 17.82,64 17.82,65 54.958,66 0.88,67 5.119,68 2.893,69 5.6}
{0 CHEMBL1971430,6 5,7 3.713,8 1.396,10 5.139,11 5.139,12 1.305,13 3.775,15 0.994,17 1.075,18 1,19 24,20 9.559,21 1.734,22 20.542,23 4,24 18.954,25 1.706,26 1.32,27 4.041,29 4.221,30 4.221,31 7.221,32 4.221,33 3.112,34 1.113,35 4.842,36 0.819,37 1.374,38 2.494,39 205.845,40 1.553,41 0.293,42 1.903,43 1.341,44 1.033,45 3.595,46 3.217,47 3.544,48 3.093,49 34.531,50 6,51 1.585,52 51.626,53 3.169,54 1.418,55 3.519,56 51.663,57 4.156,58 4.159,59 1,60 17.289,61 17.289,62 17.289,63 17.289,64 17.289,65 52.826,66 1,67 5.122,68 2.888,69 5.6}
{0 CHEMBL1971649,6 5,7 3.479,8 1.326,9 1,10 5.223,11 5.223,12 1.087,13 3.529,14 1,15 0.821,17 0.886,19 22,20 8.952,21 1.177,22 22.095,23 3,24 17.267,25 1.121,26 1.107,27 4.09,28 1,29 4.521,30 4.521,31 7.521,32 4.521,33 2.463,34 1.028,35 4.568,36 0.2,37 1.325,38 2.69,39 195.159,41 0.266,42 1.484,43 1.181,44 0.954,45 3.553,46 3.184,47 3.317,48 2.897,49 29.534,50 7,51 1.356,52 47.707,53 2.968,54 1.281,55 3.3,56 47.682,57 3.966,58 4.094,60 15.776,61 15.776,62 15.776,63 15.776,64 15.776,65 48.088,66 1,67 4.846,68 2.752,69 5.6}
{0 CHEMBL1971694,1 1,6 4,7 3.221,8 1.067,10 2.275,11 2.275,12 0.862,13 3.313,14 2,15 0.406,16 56.697,17 0.538,18 1,19 11,20 4.807,21 -0.129,22 27.733,23 2,24 16.976,25 -0.191,26 0.892,27 3.997,29 4.208,30 4.208,31 7.208,32 4.208,33 1.146,34 0.81,35 4.319,36 -1.5,37 1.061,38 1.531,39 145.176,41 0.444,42 0.073,43 0.777,44 0.758,45 3.542,46 2.826,47 2.979,48 2.524,49 15.435,50 7,51 1.351,52 28.706,53 2.605,54 0.928,55 3.017,56 28.729,57 3.631,58 3.466,60 9.869,61 9.869,62 9.869,63 9.869,64 9.869,65 28.718,66 1,67 4.581,68 2.223,69 5.6}
{0 CHEMBL1972125,1 1,3 1,4 1,6 4,7 3.749,8 1.309,10 5.205,11 5.205,12 1.3,13 3.785,14 1,15 0.992,16 87.432,17 1.048,18 1,19 27,20 10.889,21 2.338,22 11.877,23 4,24 13.045,25 2,26 1.287,27 4.132,29 4.474,30 4.474,31 7.474,32 4.474,33 3.247,34 1.143,35 4.833,36 1.5,37 1.319,38 2.805,39 230.586,41 0.222,42 2.5,43 1.274,44 1.126,45 3.548,46 3.216,47 3.644,48 3.074,49 41.54,50 6,51 1.689,52 58.325,53 3.151,54 1.293,55 3.635,56 58.294,57 4.207,58 4.29,60 19.265,61 19.265,62 19.265,63 19.265,64 19.265,65 59.042,66 0.75,67 5.151,68 2.898,69 5.6}
{0 CHEMBL1972142,1 1,3 1,4 1,6 3,7 3.457,8 1.171,10 3.442,11 3.442,12 1.062,13 3.508,15 0.821,16 59.653,17 0.886,18 1,19 21,20 7.589,21 0.793,22 9.649,23 3,24 7.745,25 0.487,26 1.107,27 4.118,29 4.391,30 4.391,31 7.391,32 4.391,33 2.237,34 0.98,35 4.456,36 -0.678,37 1.155,38 2.301,39 161.655,41 0.284,42 0.922,43 1.181,44 0.937,45 3.132,46 2.942,47 3.301,48 2.854,49 22.822,50 4,51 1.396,52 41.711,53 2.925,54 1.195,55 3.285,56 41.661,57 3.842,58 3.932,60 13.853,61 13.853,62 13.853,63 13.853,64 13.853,65 42.061,66 1,67 4.737,68 2.682,69 5.6}
{0 CHEMBL1972221,1 1,6 4,7 3.633,8 1.287,10 4.278,11 4.278,12 1.082,13 3.683,15 0.821,16 68.676,17 0.886,18 1,19 15,20 7.708,21 1,22 13.959,23 2,24 13.507,25 0.677,26 1.107,27 4.137,29 4.52,30 4.52,31 7.52,32 4.52,33 2.19,34 1.052,35 4.675,36 -0.411,37 1.296,38 2.525,39 216.658,41 0.331,42 1.09,43 1.181,44 1.006,45 3.715,46 3.143,47 3.455,48 2.879,49 28.837,50 8,51 1.552,52 42.92,53 2.937,54 1.239,55 3.448,56 42.983,57 3.986,58 3.951,60 14.217,61 14.217,62 14.217,63 14.217,64 14.217,65 42.865,66 1,67 4.968,68 2.715,69 5.6}
{0 CHEMBL1972276,1 1,2 1,6 6,7 3.5,8 1.426,10 3.656,11 3.656,12 1.283,13 3.574,14 1,15 0.905,16 57.388,17 0.992,18 4,19 15,20 7.687,21 0.939,22 26.405,23 2,24 18.827,25 0.831,26 1.308,27 4.131,29 4.567,30 4.567,31 7.567,32 4.567,33 2.325,34 1.135,35 4.787,36 -0.141,37 1.455,38 2.263,39 171.401,40 2.399,41 0.321,42 0.989,43 1.309,44 1.082,45 3.558,46 3.316,47 3.311,48 3.021,49 29.416,50 7,51 1.415,52 42.424,53 3.123,54 1.355,55 3.311,56 42.408,57 4.049,58 3.951,59 1,60 14.198,61 14.198,62 14.198,63 14.198,64 14.198,65 42.667,66 1,67 5.06,68 2.802,69 5.6}
{0 CHEMBL1972365,1 1,3 1,4 1,6 4,7 2.939,8 0.853,10 2.136,11 2.136,12 0.631,13 3.025,15 0.108,16 27.552,17 0.257,19 15,20 5.025,21 -0.422,22 2.5,23 2,24 3.162,25 -0.491,26 0.639,27 4.119,29 4.463,30 4.463,31 7.463,32 4.463,33 1.034,34 0.563,35 3.994,36 -1.991,37 0.827,38 1.55,39 108.855,41 0.427,42 -0.039,43 0.582,44 0.477,45 3.027,46 2.674,47 2.747,48 1.987,49 8.844,50 4,51 0.88,52 27.122,53 2.117,54 0.897,55 2.736,56 27.127,57 3.401,58 3.526,60 8.926,61 8.926,62 8.926,63 8.926,64 8.926,65 27.398,66 1,67 4.202,68 1.678,69 4.6}
{0 CHEMBL1972489,1 1,3 1,4 1,6 3,7 3.194,8 0.961,10 2.411,11 2.411,12 0.697,13 3.226,15 0.39,16 43.987,17 0.434,19 15,20 5.587,21 0.007,22 11.333,23 2,24 9.121,25 -0.002,26 0.719,27 4.093,29 4.366,30 4.366,31 7.366,32 4.366,33 1.514,34 0.734,35 4.065,36 -1.5,37 0.941,38 1.824,39 133.33,41 0.368,42 0.487,43 0.718,44 0.661,45 3.284,46 2.696,47 3.03,48 2.384,49 12.404,50 5,51 1.148,52 31.237,53 2.441,54 0.944,55 3.013,56 31.439,57 3.505,58 3.638,60 10.365,61 10.365,62 10.365,63 10.365,64 10.365,65 31.711,66 1,67 4.325,68 2.153,69 5.6}
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{0 CHEMBL1973145,3 1,4 1,6 6,7 3.451,8 1.293,10 5.633,11 5.633,12 1.154,13 3.503,15 0.821,16 65.647,17 0.886,19 21,20 9.118,21 1.092,22 29.218,23 3,24 20.473,25 0.778,26 1.175,27 4.097,29 4.649,30 4.649,31 7.649,32 4.649,33 2.579,34 0.977,35 4.54,36 -0.258,37 1.261,38 2.774,39 207.03,41 0.27,42 1.184,43 1.181,44 0.909,45 3.724,46 3.189,47 3.239,48 2.885,49 28.143,50 8,51 1.376,52 46.446,53 2.956,54 1.213,55 3.206,56 46.39,57 3.95,58 4.06,60 15.331,61 15.331,62 15.331,63 15.331,64 15.331,65 47.035,66 1,67 4.775,68 2.727,69 5.6}
{0 CHEMBL1973211,3 1,4 1,6 5,7 3.83,8 1.48,10 5.71,11 5.71,12 1.386,13 3.87,15 1.121,16 186.396,17 1.172,18 3,19 26,20 11.101,21 2.206,22 33.376,23 4,24 27.434,25 1.939,26 1.41,27 4.119,29 4.712,30 4.712,31 7.712,32 4.712,33 3.194,34 1.277,35 4.904,36 1.24,37 1.448,38 2.778,39 250.367,40 2.38,41 0.219,42 2.292,43 1.387,44 1.222,45 3.965,46 3.314,47 3.682,48 3.144,49 50.743,50 7,51 1.517,52 57.859,53 3.222,54 1.478,55 3.686,56 57.75,57 4.221,58 4.277,59 1,60 19.292,61 19.292,62 19.292,63 19.292,64 19.292,65 58.761,66 0.75,67 5.161,68 2.968,69 5.6}
{0 CHEMBL1973348,1 1,3 1,4 1,6 4,7 3.751,8 1.308,10 5.712,11 5.712,12 1.297,13 3.784,14 1,15 0.992,16 90.486,17 1.048,18 1,19 27,20 11.188,21 2.344,22 12.518,23 4,24 14.646,25 2.05,26 1.281,27 4.132,29 4.474,30 4.474,31 7.474,32 4.474,33 3.434,34 1.14,35 4.832,36 1.631,37 1.314,38 2.807,39 247.345,41 0.221,42 2.589,43 1.267,44 1.126,45 3.72,46 3.215,47 3.647,48 3.074,49 43.704,50 7,51 1.689,52 59.984,53 3.151,54 1.292,55 3.637,56 60.14,57 4.212,58 4.317,60 19.748,61 19.748,62 19.748,63 19.748,64 19.748,65 60.767,66 0.75,67 5.15,68 2.899,69 5.6}
{0 CHEMBL1973483,6 4,7 3.434,8 1.091,10 4.493,11 4.493,12 0.957,13 3.48,15 0.63,17 0.701,19 16,20 7.649,21 0.752,22 28.555,23 2,24 20.633,25 0.525,26 0.97,27 4.086,29 4.476,30 4.476,31 7.476,32 4.476,33 2.438,34 0.848,35 4.468,36 -0.622,37 1.113,38 2.537,39 203.898,41 0.333,42 1,43 0.938,44 0.8,45 3.481,46 3.009,47 3.192,48 2.751,49 25.878,50 11,51 1.209,52 45.86,53 2.823,54 0.979,55 3.132,56 46.217,57 3.808,58 3.989,60 14.83,61 14.83,62 14.83,63 14.83,64 14.83,65 46.731,66 1,67 4.642,68 2.562,69 5.6}
{0 CHEMBL1973808,1 1,6 3,7 3.176,8 0.944,10 2.411,11 2.411,12 0.703,13 3.205,15 0.403,16 43.987,17 0.447,19 15,20 5.587,21 0.007,22 11.333,23 2,24 9.121,25 -0.003,26 0.732,27 4.099,29 4.366,30 4.366,31 7.366,32 4.366,33 1.514,34 0.703,35 4.065,36 -1.5,37 0.918,38 1.824,39 133.33,41 0.368,42 0.487,43 0.743,44 0.623,45 3.284,46 2.68,47 3.028,48 2.279,49 12.404,50 5,51 1.198,52 31.237,53 2.391,54 0.966,55 3.016,56 31.424,57 3.505,58 3.638,60 10.365,61 10.365,62 10.365,63 10.365,64 10.365,65 31.711,66 1,67 4.321,68 2.057,69 5.6}
{0 CHEMBL1973860,3 2,4 2,6 2,7 3.307,8 1.074,10 2.155,11 2.155,12 0.729,13 3.355,15 0.348,16 46.816,17 0.444,18 2,19 15,20 5.639,21 0.015,22 11.409,23 2,24 7.215,25 -0.15,26 0.776,27 4.098,29 4.397,30 4.397,31 7.397,32 4.397,33 1.283,34 0.718,35 4.216,36 -1.531,37 1.07,38 1.51,39 133.582,41 0.383,42 0.2,43 0.858,44 0.639,45 3.541,46 2.61,47 3.159,48 2.44,49 14.476,50 4,51 1.323,52 30.651,53 2.529,54 1.066,55 3.17,56 30.528,57 3.605,58 3.638,60 10.374,61 10.374,62 10.374,63 10.374,64 10.374,65 30.677,66 1,67 4.477,68 2.276,69 5.6}
{0 CHEMBL1973893,1 1,6 4,7 3.554,8 1.212,10 4.254,11 4.254,12 1.062,13 3.6,15 0.821,16 65.697,17 0.886,18 1,19 15,20 7.63,21 0.753,22 13.234,23 2,24 12.295,25 0.417,26 1.107,27 4.136,29 4.52,30 4.52,31 7.52,32 4.52,33 2.154,34 1.027,35 4.605,36 -0.566,37 1.199,38 2.462,39 211.159,41 0.335,42 1,43 1.181,44 0.989,45 3.757,46 3.035,47 3.357,48 2.854,49 26.592,50 8,51 1.456,52 41.877,53 2.925,54 1.204,55 3.334,56 41.919,57 3.931,58 3.912,60 13.807,61 13.807,62 13.807,63 13.807,64 13.807,65 42.107,66 1,67 4.882,68 2.715,69 5.6}
{0 CHEMBL1973937,1 1,6 5,7 3.464,8 1.207,10 4.713,11 4.713,12 1.074,13 3.538,14 1,15 0.831,16 64.82,17 0.886,19 21,20 8.938,21 1.135,22 24.276,23 3,24 18.955,25 0.879,26 1.107,27 4.14,29 4.692,30 4.692,31 7.692,32 4.692,33 2.422,34 0.954,35 4.544,36 -0.108,37 1.222,38 2.758,39 215.695,41 0.273,42 1.197,43 1.123,44 0.885,45 3.593,46 2.954,47 3.276,48 2.864,49 27.214,50 7,51 1.358,52 46.467,53 2.942,54 1.181,55 3.26,56 46.702,57 3.945,58 4.078,60 15.298,61 15.298,62 15.298,63 15.298,64 15.298,65 47.053,66 1,67 4.809,68 2.715,69 5.6}
{0 CHEMBL1974288,2 1,6 2,7 3.495,8 1.107,10 2.666,11 2.666,12 1.062,13 3.549,15 0.821,17 0.886,18 1,19 18,20 6.759,21 0.596,22 11.475,23 3,24 8.463,25 0.417,26 1.107,27 4.014,29 3.926,30 3.926,31 6.926,32 3.926,33 2,34 0.886,35 4.43,36 -0.781,37 1.062,38 1.995,39 144.875,41 0.332,42 0.794,43 1.181,44 0.821,45 3.067,46 2.925,47 3.315,48 2.854,49 22.139,50 4,51 1.391,52 37.909,53 2.925,54 1.181,55 3.304,56 37.817,57 3.822,58 3.807,60 12.781,61 12.781,62 12.781,63 12.781,64 12.781,65 38.189,66 1,67 4.758,68 2.715,69 5.6}
{0 CHEMBL1974310,6 2,7 3.068,8 0.913,10 2.459,11 2.459,12 0.677,13 3.132,15 0.324,16 35.44,17 0.399,19 15,20 5.732,21 0.084,22 3.014,23 2,24 4.452,25 -0.064,26 0.684,27 4.105,29 4.573,30 4.573,31 7.573,32 4.573,33 1.555,34 0.701,35 4.005,36 -1.5,37 0.886,38 2.143,39 152.564,41 0.414,42 0.479,43 0.62,44 0.652,45 3.477,46 2.669,47 2.91,48 2.341,49 12.188,50 5,51 0.944,52 31.928,53 2.43,54 0.868,55 2.921,56 31.968,57 3.472,58 3.714,60 10.36,61 10.36,62 10.36,63 10.36,64 10.36,65 32.434,66 1,67 4.227,68 2.017,69 5.6}
{0 CHEMBL1974328,1 1,6 6,7 3.368,8 1.386,9 1,10 3.667,11 3.667,12 1.215,13 3.43,14 3,15 0.902,17 0.974,19 18,20 7.121,21 0.659,22 44.488,23 3,24 25.341,25 0.565,26 1.226,27 3.99,28 1,29 4.022,30 4.022,31 7.022,32 4.022,33 2,34 1.088,35 4.703,36 -0.519,37 1.365,38 2.196,39 159.374,41 0.357,42 0.85,43 1.212,44 1.013,45 3.631,46 3.208,47 3.151,48 2.999,49 21.414,50 7,51 1.209,52 39.732,53 3.083,54 1.343,55 3.123,56 39.687,57 3.978,58 3.85,60 13.339,61 13.339,62 13.339,63 13.339,64 13.339,65 40.051,66 1,67 5.075,68 2.821,69 5.7}
{0 CHEMBL1974416,1 1,3 1,4 1,6 3,7 3.481,8 1.107,10 3.571,11 3.571,12 1.062,13 3.535,14 1,15 0.786,16 58.246,17 0.829,19 21,20 8.351,21 0.894,22 12.115,23 3,24 9.723,25 0.786,26 1.042,27 4.138,29 4.555,30 4.555,31 7.555,32 4.555,33 2.363,34 0.886,35 4.379,36 -0.241,37 1.074,38 2.555,39 182.921,41 0.302,42 1.211,43 0.999,44 0.821,45 3.302,46 2.98,47 3.319,48 2.854,49 21.183,50 6,51 1.361,52 43.628,53 2.925,54 1.122,55 3.299,56 43.543,57 3.801,58 4.043,60 14.294,61 14.294,62 14.294,63 14.294,64 14.294,65 44.083,66 1,67 4.681,68 2.715,69 5.7}
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{0 CHEMBL1974870,1 1,6 4,7 3.577,8 1.239,10 4.86,11 4.86,12 1.132,13 3.639,14 1,15 0.824,16 69.355,17 0.867,18 1,19 21,20 8.48,21 1.017,22 11.022,23 3,24 12.618,25 0.789,26 1.142,27 4.123,29 4.51,30 4.51,31 7.51,32 4.51,33 2.572,34 0.963,35 4.648,36 -0.215,37 1.218,38 2.621,39 191.935,41 0.265,42 1.074,43 1.122,44 0.894,45 3.779,46 3.062,47 3.413,48 2.878,49 27.704,50 6,51 1.484,52 46.292,53 2.939,54 1.23,55 3.414,56 46.432,57 3.994,58 4.025,60 15.325,61 15.325,62 15.325,63 15.325,64 15.325,65 46.782,66 1,67 4.919,68 2.757,69 5.6}
{0 CHEMBL1974935,1 1,2 1,3 1,4 1,6 4,7 3.625,8 1.261,10 3.711,11 3.711,12 1.152,13 3.688,14 1,15 0.821,16 67.608,17 0.886,18 1,19 21,20 8.179,21 0.958,22 7.94,23 3,24 8.592,25 1.4,26 1.151,27 4.129,29 4.474,30 4.474,31 7.474,32 4.474,33 2.521,34 1.036,35 4.646,36 0.585,37 1.245,38 2.319,39 174.594,41 0.251,42 1.687,43 1.181,44 0.976,45 3.577,46 3.065,47 3.478,48 2.878,49 29.531,50 5,51 1.626,52 45.505,53 2.96,54 1.278,55 3.482,56 45.456,57 4.006,58 3.97,60 15.364,61 15.364,62 15.364,63 15.364,64 15.364,65 46.208,66 1,67 4.939,68 2.715,69 5.6}
{0 CHEMBL1975138,6 3,7 3.562,8 1.107,10 3.646,11 3.646,12 1.062,13 3.62,14 2,15 0.821,17 0.886,19 18,20 7.684,21 0.719,22 21.497,23 3,24 18.565,25 0.935,26 1.107,27 4.013,29 4.137,30 4.137,31 7.137,32 4.137,33 2.645,34 0.886,35 4.499,36 0.038,37 1.062,38 2.499,39 188.015,41 0.341,42 1.394,43 1.181,44 0.821,45 3.016,46 2.925,47 3.364,48 2.854,49 26.306,50 7,51 1.386,52 44.291,53 2.925,54 1.181,55 3.39,56 44.497,57 3.93,58 3.989,60 14.772,61 14.772,62 14.772,63 14.772,64 14.772,65 45.043,66 1,67 4.863,68 2.715,69 5.6}
{0 CHEMBL1975233,6 5,7 3.288,8 0.987,9 1,10 2.275,11 2.275,12 0.922,13 3.345,14 2,15 0.561,17 0.645,19 12,20 5.651,21 0.5,22 26.657,23 2,24 20.274,25 0.12,26 0.924,27 3.96,29 4.052,30 4.052,31 7.052,32 4.052,33 1.408,34 0.778,35 4.245,36 -1.23,37 0.949,38 2.178,39 147.687,41 0.425,42 0.592,43 0.868,44 0.723,45 4.102,46 2.835,47 3.063,48 2.701,49 17.355,50 8,51 1.157,52 33.206,53 2.792,54 1.023,55 3.049,56 33.217,57 3.645,58 3.664,60 11.193,61 11.193,62 11.193,63 11.193,64 11.193,65 34.609,66 1,67 4.382,68 2.489,69 5.6}
{0 CHEMBL1975256,1 1,3 2,4 2,6 8,7 3.618,8 1.277,10 3.061,11 3.061,12 1.17,13 3.657,14 4,15 0.743,16 298,17 0.812,19 20,20 8.344,21 1.138,22 8.953,23 4,24 12.198,25 1.459,26 1.101,27 4.046,28 1,29 4.388,30 4.388,31 7.172,32 4.388,33 2.528,34 0.966,35 4.283,36 0.927,37 1.277,38 2.113,39 221.959,41 0.307,42 2.118,43 0.918,44 0.9,45 3.992,46 2.927,47 3.418,48 2.478,49 23.722,50 12,51 1.389,52 43.461,53 2.557,54 1.04,55 3.363,56 43.394,57 3.782,58 4.025,60 14.326,61 14.326,62 14.326,63 14.326,64 14.326,65 44.477,66 1,67 4.397,68 2.297,69 5.6}
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{0 CHEMBL1975534,1 1,3 1,4 1,6 5,7 3.163,8 0.947,10 2.539,11 2.539,12 0.741,13 3.24,14 1,15 0.151,16 36.472,17 0.248,18 2,19 9,20 5.208,21 -0.309,22 9.918,23 1,24 10.63,25 -0.484,26 0.753,27 4.11,28 1,29 4.679,30 4.679,31 7.679,32 4.679,33 1.255,34 0.539,35 4.256,36 -1.674,37 0.975,38 1.67,39 180.857,41 0.507,42 -0.284,43 0.764,44 0.435,45 3.89,46 2.591,47 2.978,48 2.329,49 11.444,50 8,51 1.038,52 28.258,53 2.4,54 0.906,55 3.096,56 28.541,57 3.598,58 3.611,60 9.25,61 9.25,62 9.25,63 9.25,64 9.25,65 28.397,66 1,67 4.551,68 2.072,69 5.6}
{0 CHEMBL1975647,2 1,6 5,7 3.342,8 0.874,9 1,10 2.987,11 2.987,12 0.822,13 3.394,14 1,15 0.387,17 0.495,19 16,20 6.337,21 0.5,22 18.993,23 2,24 13.35,25 0.052,26 0.837,27 4.075,29 4.528,30 4.528,31 7.528,32 4.528,33 1.555,34 0.681,35 4.159,36 -1.235,37 0.874,38 2.042,39 139.326,41 0.366,42 0.547,43 0.798,44 0.632,45 3.381,46 2.741,47 3.125,48 2.614,49 14.34,50 7,51 1.165,52 33.643,53 2.705,54 0.905,55 3.075,56 33.624,57 3.586,58 3.714,60 11.382,61 11.382,62 11.382,63 11.382,64 11.382,65 33.908,66 1,67 4.415,68 2.33,69 5.6}
{0 CHEMBL1976090,6 6,7 3.013,8 0.33,10 1.638,11 1.638,12 0.217,13 3.12,16 16.735,19 13,20 5.358,21 -0.425,22 5,23 1,24 6.325,25 -0.896,26 0.191,27 4.139,29 4.893,30 4.893,31 7.893,32 4.893,33 1.208,34 0.012,35 3.798,36 -2.798,37 0.357,38 1.782,39 138.048,41 0.497,42 -0.4,43 0.085,45 3.249,46 2.296,47 2.782,48 1.955,49 6.569,50 7,51 0.827,52 26.048,53 2.062,54 0.209,55 2.751,56 26.016,57 3.258,58 3.611,60 8.383,61 8.383,62 8.383,63 8.383,64 8.383,65 26.289,66 1,67 3.837,68 1.621,69 5.6}
{0 CHEMBL1976093,1 1,2 1,3 1,4 1,6 7,7 3.736,8 1.349,9 1,10 4.824,11 4.824,12 1.239,13 3.798,15 0.821,16 65.531,17 0.934,18 2,19 21,20 9.526,21 1.182,22 21.18,23 3,24 14.469,25 1.439,26 1.308,27 4.152,29 4.662,30 4.662,31 7.662,32 4.662,33 2.749,34 1.063,35 4.879,36 0.692,37 1.337,38 2.757,39 212.536,40 2.167,41 0.299,42 1.766,43 1.417,44 0.967,45 3.642,46 3.191,47 3.589,48 2.894,49 31.994,50 8,51 1.64,52 51.437,53 3.009,54 1.417,55 3.572,56 51.464,57 4.138,58 4.143,59 1,60 16.824,61 16.824,62 16.824,63 16.824,64 16.824,65 52.322,66 1,67 5.089,68 2.746,69 5.6}
{0 CHEMBL1976134,1 2,3 2,4 2,6 4,7 3.18,8 0.908,10 2.467,11 2.467,12 0.732,13 3.256,15 0.406,16 69.163,17 0.49,19 18,20 6.334,21 -0.102,23 2,25 -0.035,26 0.77,27 4.147,29 4.435,30 4.435,31 7.435,32 4.435,33 1.529,34 0.641,35 4.092,36 -1.5,37 0.892,38 2.298,39 130.41,41 0.356,42 0.5,43 0.816,44 0.557,45 3.25,46 2.507,47 3,48 2.308,49 10.173,50 4,51 1.275,52 32.048,53 2.417,54 0.914,55 2.987,56 32.012,57 3.497,58 3.761,60 10.397,61 10.397,62 10.397,63 10.397,64 10.397,65 32.184,66 1,67 4.296,68 2.09,69 5.6}
{0 CHEMBL1976220,3 1,4 1,6 4,7 3.432,8 1.107,10 4.688,11 4.688,12 1.047,13 3.475,15 0.821,16 62.79,17 0.873,19 21,20 8.669,21 1.042,22 22.806,23 3,24 16.529,25 0.761,26 1.076,27 4.105,29 4.626,30 4.626,31 7.626,32 4.626,33 2.365,34 0.886,35 4.417,36 -0.304,37 1.062,38 2.741,39 225.296,41 0.272,42 1.182,43 1.09,44 0.83,45 3.474,46 2.942,47 3.24,48 2.865,49 26.123,50 7,51 1.394,52 44.744,53 2.925,54 1.181,55 3.228,56 44.898,57 3.861,58 4.025,60 14.831,61 14.831,62 14.831,63 14.831,64 14.831,65 45.308,66 1,67 4.697,68 2.717,69 5.6}
{0 CHEMBL1976420,1 1,6 3,7 3.449,8 1.143,9 1,10 2.854,11 2.854,12 1.062,13 3.525,14 1,15 0.804,16 42.269,17 0.886,19 15,20 6.495,21 0.146,22 11.206,23 2,24 9.966,26 1.107,27 4.135,28 1,29 4.607,30 4.607,31 7.607,32 4.607,33 2,34 0.934,35 4.474,36 -1.046,37 1.111,38 2.079,39 144.405,41 0.394,42 0.5,43 1.181,44 0.821,45 3.514,46 2.925,47 3.282,48 2.721,49 15.537,50 4,51 1.404,52 35.213,53 2.818,54 1.188,55 3.295,56 35.228,57 3.776,58 3.829,60 11.288,61 11.288,62 11.288,63 11.288,64 11.288,65 35.738,66 1,67 4.725,68 2.568,69 6.5}
{0 CHEMBL1976455,2 1,6 5,7 3.394,8 1.008,9 1,10 3.414,11 3.414,12 0.857,13 3.443,14 1,15 0.401,17 0.501,19 16,20 6.744,21 0.5,22 22.484,23 2,24 16.178,25 0.309,26 0.847,27 4.085,29 4.48,30 4.48,31 7.48,32 4.48,33 2.106,34 0.778,35 4.314,36 -0.994,37 0.991,38 2.322,39 166.047,41 0.359,42 0.775,43 0.8,44 0.726,45 3.514,46 2.861,47 3.151,48 2.612,49 18.972,50 9,51 1.179,52 38.914,53 2.719,54 0.975,55 3.093,56 39.077,57 3.689,58 3.829,60 12.872,61 12.872,62 12.872,63 12.872,64 12.872,65 39.512,66 1,67 4.495,68 2.348,69 5.6}
{0 CHEMBL1976872,1 1,3 1,4 1,6 3,7 2.92,8 0.324,10 -0.677,11 -0.677,12 0.183,13 2.993,14 1,16 22.862,19 9,20 3.717,22 9.759,23 1,24 6.839,25 -1.038,26 0.235,27 4.104,29 4.402,30 4.402,31 7.402,32 4.402,35 3.848,36 -3,37 0.353,38 0.521,39 83.295,41 0.541,42 -0.736,43 0.294,45 3.352,46 2.185,47 2.753,48 1.815,49 6.686,50 4,51 0.846,52 20.693,53 1.955,54 0.34,55 2.75,56 20.706,57 3.223,58 3.178,60 6.954,61 6.954,62 6.954,63 6.954,64 6.954,65 21.046,66 1,67 4.029,68 1.351,69 4.6}
{0 CHEMBL1977223,1 2,2 2,3 1,4 1,6 6,7 3.679,8 1.347,10 3.955,11 3.955,12 1.071,13 3.736,14 1,15 0.821,16 135.343,17 0.886,18 1,19 20,20 8.378,21 1.106,22 24.041,23 3,24 16.433,25 0.876,26 1.107,27 4.128,29 4.521,30 4.521,31 7.521,32 4.521,33 2.485,34 1.078,35 4.635,36 -0.118,37 1.359,38 2.529,39 180.65,41 0.282,42 1.195,43 1.181,44 1.01,45 3.787,46 3.108,47 3.512,48 2.863,49 29.015,50 7,51 1.399,52 44.435,53 2.93,54 1.326,55 3.511,56 44.449,57 3.963,58 4.007,60 14.835,61 14.835,62 14.835,63 14.835,64 14.835,65 44.998,66 1,67 4.893,68 2.721,69 5.6}
{0 CHEMBL1977346,1 1,6 4,7 3.06,8 0.533,10 2.564,11 2.564,12 0.42,13 3.132,14 1,17 0.014,19 15,20 5.423,21 -0.31,22 26.983,23 1,24 16.723,25 -0.54,26 0.446,27 4.002,29 4.069,30 4.069,31 7.069,32 4.069,33 1.167,34 0.23,35 3.899,36 -1.85,37 0.535,38 1.912,39 168.716,41 0.456,42 -0.049,43 0.415,44 0.166,45 3.284,46 2.55,47 2.891,48 1.973,49 8.512,50 6,51 0.956,52 28.357,53 2.059,54 0.493,55 2.896,56 28.636,57 3.351,58 3.611,60 9.393,61 9.393,62 9.393,63 9.393,64 9.393,65 28.767,66 1,67 4.235,68 1.729,69 5.6}
{0 CHEMBL1977619,1 1,3 1,4 1,6 3,7 3.055,8 0.524,10 2.287,11 2.287,12 0.324,13 3.074,14 1,16 68.034,19 14,20 5.403,21 -0.118,22 1.651,23 2,24 2.278,25 -0.638,26 0.258,27 4.12,29 4.557,30 4.557,31 7.557,32 4.557,33 1.146,34 0.164,35 3.875,36 -2.171,37 0.547,38 1.489,39 139.883,41 0.452,42 -0.104,43 0.344,44 0.097,45 3.605,46 2.439,47 2.872,48 2.189,49 8.844,50 6,51 1.244,52 28.95,53 2.247,54 0.458,55 2.833,56 28.935,57 3.362,58 3.638,60 9.394,61 9.394,62 9.394,63 9.394,64 9.394,65 29.357,66 1,67 4.049,68 2.002,69 4.6}
{0 CHEMBL1977681,1 1,6 3,7 3.165,8 0.913,10 2.959,11 2.959,12 0.772,13 3.245,15 0.45,16 75.848,17 0.491,19 14,20 5.989,21 -0.019,22 3.854,23 2,24 5.985,25 -0.356,26 0.799,27 4.13,29 4.622,30 4.622,31 7.622,32 4.622,33 1.616,34 0.67,35 4.109,36 -1.748,37 0.912,38 2.016,39 158.559,41 0.415,42 0.145,43 0.712,44 0.61,45 3.824,46 2.797,47 2.957,48 2.373,49 12.925,50 6,51 1.202,52 31.562,53 2.403,54 0.896,55 2.985,56 31.654,57 3.516,58 3.761,60 10.281,61 10.281,62 10.281,63 10.281,64 10.281,65 31.931,66 1,67 4.258,68 2.272,69 5.6}
{0 CHEMBL1978014,1 2,2 2,3 1,4 1,6 7,7 3.767,8 1.429,10 5.772,11 5.772,12 1.376,13 3.826,14 1,15 1.064,16 154.634,17 1.153,18 3,19 26,20 10.072,21 2,22 38.364,23 4,24 25.777,25 1.704,26 1.422,27 4.153,29 4.655,30 4.655,31 7.655,32 4.655,33 3.247,34 1.198,35 4.869,36 1,37 1.44,38 2.645,39 221.395,40 2.247,41 0.243,42 2.108,43 1.364,44 1.118,45 3.81,46 3.206,47 3.599,48 3.076,49 36.959,50 8,51 1.411,52 53.113,53 3.159,54 1.472,55 3.564,56 53.212,57 4.14,58 4.234,59 1,60 17.287,61 17.287,62 17.287,63 17.287,64 17.287,65 53.938,66 0.88,67 5.155,68 2.91,69 5.6}
{0 CHEMBL1978200,1 1,3 1,4 1,6 6,7 3.715,8 1.314,9 1,10 5.322,11 5.322,12 1.239,13 3.766,15 0.804,16 63.254,17 0.934,18 1,19 21,20 9.549,21 1.094,22 21.151,23 3,24 16.821,25 0.972,26 1.308,27 4.161,29 4.727,30 4.727,31 7.727,32 4.727,33 2.824,34 1.103,35 4.783,36 0.063,37 1.316,38 2.844,39 219.691,41 0.312,42 1.361,43 1.269,44 1.031,45 3.959,46 3.232,47 3.571,48 2.904,49 31.453,50 9,51 1.643,52 51.528,53 3.009,54 1.417,55 3.566,56 51.61,57 4.086,58 4.174,60 16.798,61 16.798,62 16.798,63 16.798,64 16.798,65 52.4,66 1,67 5.053,68 2.735,69 5.6}
{0 CHEMBL1978448,1 1,3 1,4 1,6 3,7 3.72,8 1.237,10 3.301,11 3.301,12 1.076,13 3.717,14 1,15 0.742,16 43.995,17 0.796,18 1,19 16,20 7.313,21 0.476,22 34.46,23 2,24 23.193,25 0.203,26 1.092,27 4.122,29 4.522,30 4.522,31 7.522,32 4.522,33 2.23,34 0.994,35 4.528,36 -0.931,37 1.237,38 2.635,39 216.101,40 1.562,41 0.335,42 0.694,43 1.074,44 0.926,45 3.663,46 2.912,47 3.573,48 2.681,49 15.618,50 7,51 1.383,52 40.399,53 2.757,54 1.269,55 3.643,56 40.476,57 3.824,58 3.951,59 1,60 12.848,61 12.848,62 12.848,63 12.848,64 12.848,65 40.991,66 1,67 4.779,68 2.386,69 5.7}
{0 CHEMBL1979093,6 4,7 3.447,8 1.412,10 4.95,11 4.95,12 1.203,13 3.492,14 1,15 0.902,16 70.942,17 0.926,19 21,20 9.381,21 1.304,22 28.768,23 3,24 21.901,25 1.205,26 1.156,27 4.123,29 4.696,30 4.696,31 7.696,32 4.696,33 2.576,34 1.133,35 4.623,36 0.341,37 1.386,38 2.903,39 209.288,41 0.267,42 1.534,43 1.181,44 1.051,45 3.848,46 3.222,47 3.225,48 2.949,49 31.427,50 8,51 1.279,52 49.389,53 3.013,54 1.351,55 3.179,56 49.343,57 4.021,58 4.159,60 16.187,61 16.187,62 16.187,63 16.187,64 16.187,65 49.852,66 1,67 4.837,68 2.769,69 5.6}
{0 CHEMBL1979176,6 4,7 3.41,8 1.152,10 4.24,11 4.24,12 0.998,13 3.455,15 0.724,17 0.778,19 16,20 7.331,21 0.748,22 29.053,23 2,24 20.491,25 0.447,26 1.019,27 4.076,29 4.462,30 4.462,31 7.462,32 4.462,33 2.274,34 0.94,35 4.45,36 -0.674,37 1.142,38 2.515,39 179.122,41 0.337,42 0.905,43 0.979,44 0.881,45 3.823,46 3.034,47 3.175,48 2.804,49 21.633,50 9,51 1.202,52 41.75,53 2.865,54 1.11,55 3.116,56 41.871,57 3.81,58 3.912,60 13.783,61 13.783,62 13.783,63 13.783,64 13.783,65 42.211,66 1,67 4.599,68 2.647,69 5.6}
{0 CHEMBL1979252,6 3,7 3.382,8 1.086,10 4.365,11 4.365,12 0.918,13 3.431,14 2,15 0.567,17 0.643,18 1,19 16,20 6.745,21 0.599,22 31.28,23 3,24 20.099,25 0.3,26 0.931,27 4.006,29 4.157,30 4.157,31 7.157,32 4.157,33 2,34 0.784,35 4.371,36 -0.913,37 1.062,38 2.11,39 175.205,41 0.337,42 0.705,43 0.94,44 0.706,45 3.635,46 2.925,47 3.162,48 2.702,49 21.267,50 8,51 1.197,52 40.865,53 2.775,54 0.994,55 3.131,56 41.169,57 3.751,58 3.912,60 13.309,61 13.309,62 13.309,63 13.309,64 13.309,65 41.918,66 1,67 4.569,68 2.482,69 5.6}
{0 CHEMBL1979318,1 1,6 4,7 3.054,8 1.054,10 2.918,11 2.918,12 0.897,13 3.14,14 1,15 0.597,16 38.183,17 0.7,19 15,20 6.806,21 -0.059,22 15.449,23 2,24 14.138,25 -0.016,26 0.931,27 4.059,29 4.243,30 4.243,31 7.243,32 4.243,33 1.641,34 0.806,35 4.164,36 -1.393,37 1.005,38 2.009,39 199.35,41 0.458,42 0.332,43 0.901,44 0.699,45 3.962,46 2.908,47 2.874,48 2.538,49 10.7,50 6,51 1.075,52 33.225,53 2.629,54 1.018,55 3.339,56 33.575,57 3.568,58 3.85,60 10.76,61 10.76,62 10.76,63 10.76,64 10.76,65 34.929,66 1,67 4.388,68 2.302,69 5.6}
{0 CHEMBL1979357,1 1,3 1,4 1,6 4,7 3.515,8 1.301,10 3.305,11 3.305,12 1.062,13 3.578,15 0.821,16 58.001,17 0.886,18 1,19 21,20 8.614,21 0.91,22 16.54,23 3,24 11.192,25 0.9,26 1.107,27 4.157,29 4.612,30 4.612,31 7.612,32 4.612,33 2.44,34 1.064,35 4.639,36 -0.052,37 1.273,38 2.564,39 174.495,41 0.296,42 1.122,43 1.181,44 0.99,45 3.442,46 3.129,47 3.395,48 2.854,49 24.513,50 4,51 1.559,52 44.464,53 2.925,54 1.339,55 3.401,56 44.493,57 3.976,58 4.043,60 14.781,61 14.781,62 14.781,63 14.781,64 14.781,65 45.329,66 1,67 4.893,68 2.715,69 5.6}
{0 CHEMBL1979516,3 1,4 1,6 5,7 3.6,8 1.301,10 5.404,11 5.404,12 1.141,13 3.67,15 0.839,16 75.057,17 0.886,18 1,19 21,20 10.079,21 1.323,22 28.471,23 3,24 22.451,25 1.592,26 1.148,27 4.121,29 4.717,30 4.717,31 7.717,32 4.717,33 2.954,34 1.041,35 4.675,36 0.929,37 1.286,38 2.778,39 234.271,41 0.266,42 2.064,43 1.181,44 1.004,45 3.947,46 3.266,47 3.409,48 2.912,49 38.219,50 9,51 1.468,52 52,53 2.97,54 1.235,55 3.405,56 51.968,57 4.065,58 4.19,60 17.241,61 17.241,62 17.241,63 17.241,64 17.241,65 52.636,66 1,67 4.954,68 2.748,69 5.6}
{0 CHEMBL1979883,3 1,4 1,6 5,7 3.657,8 1.417,10 5.192,11 5.192,12 1.291,13 3.734,15 1.074,16 78.739,17 1.133,18 1,19 21,20 9.922,21 1.412,22 29.841,23 3,24 24.272,25 1.645,26 1.336,27 4.118,29 4.712,30 4.712,31 7.712,32 4.712,33 2.959,34 1.182,35 4.802,36 1.131,37 1.389,38 2.777,39 231.701,40 2.019,41 0.257,42 2.271,43 1.396,44 1.129,45 3.939,46 3.292,47 3.502,48 3.144,49 43.826,50 7,51 1.527,52 53.442,53 3.222,54 1.417,55 3.506,56 53.336,57 4.147,58 4.174,59 1,60 17.792,61 17.792,62 17.792,63 17.792,64 17.792,65 54.853,66 1,67 4.968,68 2.968,69 5.6}
{0 CHEMBL1979970,1 1,6 5,7 3.335,8 1.042,10 3.281,11 3.281,12 0.921,13 3.412,14 2,15 0.475,16 50.422,17 0.571,19 15,20 6.977,21 0.651,22 11.42,23 2,24 10.255,25 0.428,26 0.934,27 4.099,29 4.527,30 4.527,31 7.527,32 4.527,33 2,34 0.829,35 4.368,36 -0.79,37 1.074,38 2.137,39 161.807,41 0.375,42 0.674,43 0.921,44 0.786,45 3.957,46 2.891,47 3.133,48 2.703,49 18.609,50 8,51 1.261,52 37.209,53 2.783,54 0.996,55 3.107,56 37.174,57 3.724,58 3.871,60 12.276,61 12.276,62 12.276,63 12.276,64 12.276,65 37.458,66 1,67 4.644,68 2.5,69 5.6}
{0 CHEMBL1980142,6 4,7 3.412,8 1.034,10 4.292,11 4.292,12 0.856,13 3.457,15 0.61,17 0.664,19 16,20 7.972,21 0.852,22 28.555,23 2,24 20.633,25 0.418,26 0.873,27 4.091,29 4.572,30 4.572,31 7.572,32 4.572,33 2.427,34 0.75,35 4.468,36 -0.769,37 1.055,38 2.483,39 205.064,41 0.344,42 0.882,43 0.899,44 0.682,45 3.481,46 2.938,47 3.182,48 2.681,49 23.464,50 11,51 1.204,52 45.875,53 2.732,54 0.971,55 3.128,56 46.236,57 3.808,58 4.007,60 14.834,61 14.834,62 14.834,63 14.834,64 14.834,65 46.781,66 1,67 4.642,68 2.545,69 5.6}
{0 CHEMBL1980144,2 1,3 1,4 1,6 6,7 3.477,8 1.285,10 5.295,11 5.295,12 1.154,13 3.526,15 0.821,16 74.696,17 0.886,19 21,20 9.252,21 1.391,22 30.732,23 3,24 22.999,25 1.203,26 1.166,27 4.07,28 1,29 4.613,30 4.613,31 7.613,32 4.613,33 2.676,34 1.013,35 4.582,36 0.291,37 1.289,38 2.805,39 219.022,41 0.255,42 1.504,43 1.179,44 0.972,45 3.771,46 3.182,47 3.261,48 2.973,49 32.267,50 9,51 1.467,52 49.123,53 3.077,54 1.181,55 3.216,56 49.09,57 3.994,58 4.111,60 16.282,61 16.282,62 16.282,63 16.282,64 16.282,65 49.664,66 1,67 4.818,68 2.75,69 5.6}
{0 CHEMBL1980163,1 1,2 1,6 3,7 3.412,8 1.107,10 3.149,11 3.149,12 1.062,13 3.473,15 0.821,17 0.886,18 1,19 22,20 7.496,21 0.882,22 26.812,23 3,24 17.031,25 0.62,26 1.107,27 4.067,29 4.433,30 4.433,31 7.433,32 4.433,33 2.235,34 0.886,35 4.448,36 -0.423,37 1.062,38 2.427,39 159.483,41 0.27,42 1.043,43 1.181,44 0.821,45 2.883,46 2.925,47 3.256,48 2.854,49 24.365,50 4,51 1.299,52 40.918,53 2.925,54 1.181,55 3.238,56 40.888,57 3.845,58 3.892,60 13.881,61 13.881,62 13.881,63 13.881,64 13.881,65 40.963,66 0.88,67 4.715,68 2.715,69 5.6}
{0 CHEMBL1980391,1 2,6 4,7 3.303,8 1.105,10 4.289,11 4.289,12 1.019,13 3.356,14 3,15 0.778,16 42.907,17 0.839,19 20,20 8.413,21 0.708,22 35.694,23 2,24 22.242,25 0.553,26 1.061,27 4.077,29 4.309,30 4.309,31 7.309,32 4.309,33 2.381,34 0.868,35 4.436,36 -0.36,37 1.126,38 2.223,39 195.406,41 0.365,42 0.996,43 1.06,44 0.824,45 3.99,46 2.998,47 3.117,48 2.879,49 17.302,50 7,51 1.271,52 42.376,53 2.922,54 1.104,55 3.099,56 42.561,57 3.81,58 4.078,60 13.737,61 13.737,62 13.737,63 13.737,64 13.737,65 42.931,66 1,67 4.657,68 2.696,69 5.6}
{0 CHEMBL1980489,6 3,7 3.245,8 1.086,10 2.971,11 2.971,12 0.824,13 3.309,14 2,15 0.541,17 0.595,18 1,19 16,20 6.023,21 0.5,22 26.297,23 3,24 17.245,26 0.836,27 3.997,29 4.157,30 4.157,31 7.157,32 4.157,33 1.743,34 0.783,35 4.214,36 -1.307,37 1.062,38 2.006,39 153.487,41 0.345,42 0.5,43 0.815,44 0.706,45 3.572,46 2.925,47 3.077,48 2.684,49 17.636,50 6,51 1.142,52 35.573,53 2.727,54 0.99,55 3.085,56 35.792,57 3.65,58 3.784,60 11.818,61 11.818,62 11.818,63 11.818,64 11.818,65 36.265,66 1,67 4.475,68 2.488,69 5.6}
{0 CHEMBL1980540,6 4,7 3.391,8 0.95,10 3.817,11 3.817,12 0.824,13 3.439,15 0.607,17 0.663,19 16,20 7.206,21 0.671,22 25.042,23 2,24 17.779,25 0.359,26 0.857,27 4.074,29 4.528,30 4.528,31 7.528,32 4.528,33 2.276,34 0.702,35 4.327,36 -0.927,37 0.94,38 2.427,39 185.623,41 0.346,42 0.882,43 0.891,44 0.645,45 3.575,46 2.827,47 3.181,48 2.66,49 18.806,50 9,51 1.204,52 40.627,53 2.715,54 0.918,55 3.127,56 40.905,57 3.712,58 3.892,60 13.34,61 13.34,62 13.34,63 13.34,64 13.34,65 41.281,66 1,67 4.555,68 2.542,69 5.6}
{0 CHEMBL1980704,1 2,3 2,4 2,6 5,7 3.457,8 1.181,10 4.312,11 4.312,12 1.064,13 3.501,15 0.809,16 84.162,17 0.878,18 1,19 22,20 9.077,21 0.999,22 5.981,23 2,24 7.704,25 0.728,26 1.099,27 4.2,29 4.859,30 4.859,31 7.859,32 4.859,33 2.545,34 0.946,35 4.474,36 -0.282,37 1.178,38 2.398,39 206.589,41 0.275,42 1.12,43 1.125,44 0.88,45 3.401,46 2.969,47 3.364,48 2.84,49 19.085,50 6,51 1.481,52 44.332,53 2.915,54 1.173,55 3.397,56 44.307,57 3.834,58 4.111,60 14.364,61 14.364,62 14.364,63 14.364,64 14.364,65 44.509,66 0.88,67 4.665,68 2.684,69 5.6}
{0 CHEMBL1980896,6 4,7 3.466,8 1.107,10 5.065,11 5.065,12 1.043,13 3.5,15 0.821,16 64.984,17 0.867,19 21,20 9.13,21 1.098,22 19.516,23 3,24 16.823,25 0.792,26 1.072,27 4.095,29 4.703,30 4.703,31 7.703,32 4.703,33 2.432,34 0.886,35 4.433,36 -0.278,37 1.062,38 2.747,39 250.378,41 0.275,42 1.183,43 1.088,44 0.824,45 3.886,46 2.969,47 3.3,48 2.875,49 27,50 8,51 1.406,52 46.449,53 2.925,54 1.164,55 3.281,56 46.794,57 3.864,58 4.078,60 15.321,61 15.321,62 15.321,63 15.321,64 15.321,65 47.018,66 0.75,67 4.688,68 2.715,69 5.6}
{0 CHEMBL1981047,1 1,2 2,6 6,7 3.75,8 1.523,10 5.885,11 5.885,12 1.451,13 3.811,14 1,15 1.064,16 180.491,17 1.153,18 6,19 26,20 11.134,21 2.07,22 45.988,23 4,24 32.814,25 2,26 1.47,27 4.064,29 4.109,30 4.109,31 7.109,32 4.109,33 3.335,34 1.222,35 5.036,36 1.377,37 1.526,38 2.48,39 246.322,40 6.355,41 0.225,42 2.404,43 1.513,44 1.155,45 3.626,46 3.304,47 3.575,48 3.117,49 45.249,50 9,51 1.537,52 58.636,53 3.206,54 1.541,55 3.567,56 58.716,57 4.281,58 4.331,59 3,60 19.163,61 19.163,62 19.163,63 19.163,64 19.163,65 59.43,66 0.75,67 5.266,68 2.91,69 6.4}
{0 CHEMBL1981079,1 1,6 5,7 3.285,8 1.079,10 3.738,11 3.738,12 0.809,13 3.354,14 1,15 0.55,16 61.679,17 0.604,19 17,20 7.023,21 0.51,22 6.806,23 3,24 9.215,25 0.235,26 0.813,27 4.079,29 4.314,30 4.314,31 7.314,32 4.314,33 2,34 0.86,35 4.227,36 -0.943,37 1.068,38 2.271,39 166.6,41 0.394,42 0.692,43 0.771,44 0.804,45 3.713,46 2.893,47 3.01,48 2.57,49 17.365,50 8,51 1.251,52 37.958,53 2.657,54 1.113,55 2.951,56 38.212,57 3.675,58 3.871,60 12.327,61 12.327,62 12.327,63 12.327,64 12.327,65 38.725,66 1,67 4.472,68 2.361,69 5.6}
{0 CHEMBL1981410,6 7,7 3.538,8 1.324,10 5.298,11 5.298,12 1.26,13 3.608,14 2,15 0.922,17 0.993,18 1,19 23,20 9.665,21 1.351,22 51.248,23 3,24 32.729,25 1.459,26 1.242,27 4.016,29 4.102,30 4.102,31 7.102,32 4.102,33 2.882,34 1.08,35 4.786,36 0.604,37 1.406,38 2.624,39 227.404,41 0.255,42 1.696,43 1.197,44 1.038,45 3.937,46 3.318,47 3.357,48 3.06,49 36.562,50 11,51 1.495,52 53.409,53 3.138,54 1.208,55 3.346,56 53.589,57 4.1,58 4.174,60 17.737,61 17.737,62 17.737,63 17.737,64 17.737,65 54.133,66 1,67 5.037,68 2.856,69 5.6}
{0 CHEMBL1981725,1 2,3 1,4 1,6 8,7 3.844,8 1.665,10 7.277,11 7.277,12 1.514,13 3.873,15 1.284,16 103.808,17 1.321,18 5,19 39,20 14.982,21 2.686,22 46.372,23 6,24 30.651,25 2.377,26 1.48,27 4.167,29 4.664,30 4.664,31 7.664,32 4.664,33 3.609,34 1.401,35 5.175,36 1.928,37 1.628,38 3.214,39 322.844,40 4.881,41 0.18,42 2.805,43 1.513,44 1.316,45 3.566,46 3.479,47 3.777,48 3.366,49 72.839,50 10,51 1.833,52 77.994,53 3.405,54 1.726,55 3.778,56 78.061,57 4.48,58 4.615,59 2,60 25.656,61 25.656,62 25.656,63 25.656,64 25.656,65 78.418,66 0.75,67 5.483,68 3.178,69 7.9}
{0 CHEMBL1981782,1 1,6 4,7 3.315,8 1.052,10 3.525,11 3.525,12 0.89,13 3.384,15 0.594,16 55.925,17 0.667,18 1,19 15,20 6.142,21 0.496,22 19.189,23 2,24 14.116,25 0.139,26 0.909,27 4.097,28 1,29 4.366,30 4.366,31 7.366,32 4.366,33 1.763,34 0.85,35 4.257,36 -1.183,37 1.01,38 2.301,39 166.968,41 0.325,42 0.636,43 0.913,44 0.807,45 3.737,46 2.921,47 3.142,48 2.55,49 16.983,50 7,51 1.229,52 35.438,53 2.631,54 1.059,55 3.135,56 35.604,57 3.661,58 3.738,60 11.838,61 11.838,62 11.838,63 11.838,64 11.838,65 35.73,66 1,67 4.513,68 2.306,69 5.6}
{0 CHEMBL1982135,6 5,7 3.51,8 1.29,10 5.235,11 5.235,12 1.174,13 3.567,15 0.839,16 43.912,17 0.893,19 23,20 10.117,21 1.287,22 24.899,23 2,24 21.187,25 1.145,26 1.188,27 4.141,29 4.724,30 4.724,31 7.724,32 4.724,33 2.586,34 1.104,35 4.639,36 0.221,37 1.284,38 2.705,39 229.371,41 0.256,42 1.421,43 1.161,44 1.068,45 3.849,46 3.18,47 3.341,48 3,49 28.243,50 7,51 1.51,52 50.056,53 3.103,54 1.227,55 3.336,56 50.019,57 3.997,58 4.22,60 16.32,61 16.32,62 16.32,63 16.32,64 16.32,65 50.381,66 0.88,67 4.888,68 2.795,69 5.6}
{0 CHEMBL1982361,6 3,7 3.236,8 1.079,10 2.981,11 2.981,12 0.883,13 3.31,14 2,15 0.527,17 0.596,18 1,19 16,20 6.206,21 0.5,22 24.705,23 3,24 15.921,25 0.156,26 0.874,27 3.999,29 4.158,30 4.158,31 7.158,32 4.158,33 1.743,34 0.784,35 4.225,36 -1.125,37 1.062,38 2.015,39 148.22,41 0.352,42 0.598,43 0.853,44 0.706,45 3.572,46 2.925,47 3.049,48 2.677,49 17.041,50 6,51 1.141,52 35.572,53 2.745,54 0.991,55 3.051,56 35.668,57 3.655,58 3.807,60 11.813,61 11.813,62 11.813,63 11.813,64 11.813,65 36.246,66 1,67 4.494,68 2.453,69 5.6}
{0 CHEMBL1982506,6 2,7 3.246,8 0.865,10 2.953,11 2.953,12 0.555,13 3.312,14 1,15 0.258,16 31.43,17 0.317,19 13,20 6.637,21 -0.096,22 12.791,23 1,24 12.785,25 -0.228,26 0.537,27 4.12,29 4.624,30 4.624,31 7.624,32 4.624,33 1.566,34 0.632,35 4.149,36 -1.477,37 0.871,38 1.949,39 142.323,41 0.447,42 0.19,43 0.482,44 0.596,45 3.676,46 2.809,47 2.966,48 2.348,49 11.324,50 6,51 1.133,52 31.889,53 2.379,54 0.866,55 2.953,56 31.687,57 3.531,58 3.829,60 10.209,61 10.209,62 10.209,63 10.209,64 10.209,65 31.882,66 1,67 4.191,68 2.143,69 5.6}
{0 CHEMBL1982610,1 1,3 1,4 2,6 3,7 3.046,8 0.823,10 2.472,11 2.472,12 0.264,13 3.046,16 31.082,19 15,20 5.702,21 -0.106,22 10.828,23 2,24 10.269,25 -0.395,26 0.267,27 4.058,29 4.257,30 4.257,31 7.257,32 4.257,33 1.382,34 0.583,35 3.951,36 -1.741,37 0.797,38 1.819,39 198.616,41 0.424,42 0.103,43 0.341,44 0.525,45 3.703,46 2.343,47 2.897,48 2.046,49 10.642,50 6,51 0.873,52 30.512,53 2.167,54 0.803,55 2.992,56 30.83,57 3.383,58 3.689,60 9.86,61 9.86,62 9.86,63 9.86,64 9.86,65 31.085,66 1,67 4.175,68 1.853,69 5.6}
{0 CHEMBL1982660,6 4,7 3.414,8 1.141,10 4.24,11 4.24,12 0.962,13 3.459,15 0.635,17 0.703,19 16,20 7.331,21 0.748,22 29.053,23 2,24 20.491,25 0.447,26 0.973,27 4.076,29 4.462,30 4.462,31 7.462,32 4.462,33 2.274,34 0.93,35 4.449,36 -0.674,37 1.136,38 2.515,39 180.079,41 0.337,42 0.905,43 0.953,44 0.873,45 3.768,46 3.029,47 3.185,48 2.752,49 21.633,50 9,51 1.208,52 41.75,53 2.825,54 1.126,55 3.129,56 41.877,57 3.81,58 3.912,60 13.783,61 13.783,62 13.783,63 13.783,64 13.783,65 42.211,66 1,67 4.615,68 2.564,69 7.8}
{0 CHEMBL1982711,1 1,2 1,3 1,4 1,6 3,7 3.278,8 0.81,10 2.529,11 2.529,12 0.728,13 3.341,15 0.397,16 36.678,17 0.48,19 15,20 6.049,21 0.074,22 2.992,23 2,24 4.426,26 0.74,27 4.134,29 4.626,30 4.626,31 7.626,32 4.626,33 1.737,34 0.564,35 4.062,36 -1.5,37 0.792,38 1.803,39 140.034,41 0.405,42 0.418,43 0.694,44 0.509,45 3.452,46 2.673,47 3.06,48 2.369,49 12.51,50 5,51 1.107,52 32.003,53 2.447,54 0.838,55 3.023,56 32.154,57 3.504,58 3.738,60 10.333,61 10.333,62 10.333,63 10.333,64 10.333,65 32.482,66 1,67 4.304,68 2.201,69 5.6}
{0 CHEMBL1982866,1 1,2 1,3 1,4 1,6 4,7 3.436,8 1.107,10 2.5,11 2.5,12 0.997,13 3.485,15 0.684,16 60.697,17 0.763,18 2,19 17,20 6.305,21 0.5,22 5.264,23 3,24 7.811,26 1.023,27 4.057,29 4.255,30 4.255,31 7.255,32 4.255,33 1.664,34 0.886,35 4.386,36 -0.984,37 1.062,38 1.749,39 150.245,41 0.386,42 0.5,43 1.052,44 0.821,45 3.554,46 2.867,47 3.221,48 2.779,49 18.504,50 6,51 1.249,52 35.161,53 2.855,54 1.162,55 3.212,56 35.336,57 3.726,58 3.761,60 11.857,61 11.857,62 11.857,63 11.857,64 11.857,65 35.384,66 1,67 4.53,68 2.592,69 5.6}
{0 CHEMBL1982874,1 2,3 2,4 2,6 5,7 3.836,8 1.429,10 6.023,11 6.023,12 1.236,13 3.87,15 1.064,16 179.367,17 1.129,18 1,19 26,20 10.18,21 1.404,22 4.198,23 4,24 7.489,25 1.283,26 1.271,27 4.202,29 4.711,30 4.711,31 7.711,32 4.711,33 3.03,34 1.153,35 4.654,36 0.472,37 1.376,38 2.813,39 244.106,41 0.26,42 1.739,43 1.181,44 1.072,45 3.941,46 3.055,47 3.739,48 2.854,49 24.568,50 7,51 1.454,52 52.493,53 2.925,54 1.259,55 3.76,56 52.498,57 4,58 4.277,60 16.818,61 16.818,62 16.818,63 16.818,64 16.818,65 53.169,66 0.75,67 4.888,68 2.715,69 5.6}
{0 CHEMBL1982924,1 1,3 1,4 1,6 3,7 3.487,8 1.124,10 3.502,11 3.502,12 1.062,13 3.538,14 1,15 0.821,16 58.896,17 0.886,19 21,20 8.163,21 0.782,22 15.343,23 3,24 11.833,25 0.809,26 1.107,27 4.138,29 4.555,30 4.555,31 7.555,32 4.555,33 2.366,34 0.947,35 4.479,36 -0.218,37 1.115,38 2.555,39 173.674,41 0.296,42 1.213,43 1.143,44 0.905,45 3.386,46 2.979,47 3.322,48 2.854,49 22.426,50 5,51 1.361,52 43.259,53 2.925,54 1.181,55 3.3,56 43.159,57 3.876,58 4.007,60 14.281,61 14.281,62 14.281,63 14.281,64 14.281,65 43.539,66 1,67 4.705,68 2.715,69 5.7}
{0 CHEMBL1982992,1 1,3 1,4 1,6 3,7 3.062,8 0.766,10 2.608,11 2.608,12 0.579,13 3.131,16 33.543,17 0.025,19 15,20 5.824,21 -0.111,22 22.275,23 2,24 13.245,25 -0.409,26 0.592,27 4.055,29 4.582,30 4.582,31 7.582,32 4.582,33 1.382,34 0.478,35 3.937,36 -1.725,37 0.751,38 1.748,39 155.503,41 0.411,42 0.143,43 0.582,44 0.402,45 3.719,46 2.414,47 2.87,48 2.185,49 9.778,50 6,51 0.912,52 29.822,53 2.271,54 0.735,55 2.857,56 29.938,57 3.424,58 3.638,60 9.888,61 9.888,62 9.888,63 9.888,64 9.888,65 30.197,66 1,67 4.147,68 1.961,69 5.6}
{0 CHEMBL1983111,1 1,2 2,6 6,7 3.687,8 1.396,10 6.538,11 6.538,12 1.363,13 3.733,14 2,15 0.989,16 156.246,17 1.048,18 1,19 20,20 10.677,21 1.665,22 62.329,23 3,24 36.698,25 1.716,26 1.315,27 4.106,29 4.092,30 4.092,31 7.092,32 4.092,33 3.108,34 1.137,35 4.982,36 0.796,37 1.418,38 2.674,39 255.204,40 1.819,41 0.243,42 1.827,43 1.174,44 1.07,45 3.786,46 3.335,47 3.522,48 2.989,49 39.962,50 11,51 1.564,52 57.85,53 3.072,54 1.427,55 3.508,56 58.153,57 4.206,58 4.344,59 1,60 18.798,61 18.798,62 18.798,63 18.798,64 18.798,65 58.681,66 0.75,67 5.255,68 2.832,69 6.2}
{0 CHEMBL1983449,6 3,7 3.324,8 1.107,10 3.525,11 3.525,12 1.045,13 3.389,14 2,15 0.666,17 0.729,18 1,19 16,20 6.327,21 0.5,22 25.885,23 3,24 18.479,25 0.279,26 0.996,27 4.005,29 4.221,30 4.221,31 7.221,32 4.221,33 1.963,34 0.886,35 4.388,36 -0.839,37 1.062,38 2.185,39 151.728,41 0.343,42 0.683,43 0.991,44 0.821,45 3.522,46 2.925,47 3.177,48 2.854,49 18.836,50 5,51 1.267,52 37.217,53 2.923,54 1.181,55 3.187,56 37.222,57 3.79,58 3.85,60 12.286,61 12.286,62 12.286,63 12.286,64 12.286,65 37.941,66 1,67 4.545,68 2.634,69 5.6}
{0 CHEMBL1983923,1 2,2 1,6 7,7 3.707,8 1.429,10 4.676,11 4.676,12 1.365,13 3.773,15 1.022,16 81.051,17 1.122,18 4,19 23,20 8.144,21 0.986,22 41.924,23 4,24 24.019,25 0.849,26 1.386,27 4.006,29 3.924,30 3.924,31 6.924,32 3.924,33 2.657,34 1.153,35 4.806,36 -0.103,37 1.376,38 2.362,39 181.821,40 4.641,41 0.29,42 1.199,43 1.365,44 1.064,45 3.459,46 3.206,47 3.535,48 3.046,49 28.857,50 7,51 1.527,52 45.622,53 3.149,54 1.513,55 3.523,56 45.735,57 4.068,58 3.97,59 2,60 15.37,61 15.37,62 15.37,63 15.37,64 15.37,65 46.59,66 0.88,67 5.04,68 2.814,69 5.9}
{0 CHEMBL1983932,6 4,7 3.373,8 0.994,10 3.699,11 3.699,12 0.892,13 3.418,15 0.606,17 0.67,19 16,20 6.813,21 0.744,22 24.957,23 2,24 17.68,25 0.313,26 0.914,27 4.075,29 4.462,30 4.462,31 7.462,32 4.462,33 2,34 0.797,35 4.302,36 -0.674,37 0.971,38 2.361,39 176.077,41 0.35,42 0.886,43 0.869,44 0.762,45 3.659,46 2.869,47 3.151,48 2.732,49 18.163,50 7,51 1.185,52 36.422,53 2.809,54 0.999,55 3.109,56 36.564,57 3.713,58 3.784,60 12.309,61 12.309,62 12.309,63 12.309,64 12.309,65 36.62,66 1,67 4.506,68 2.541,69 7.8}
{0 CHEMBL1983945,1 1,3 1,4 1,6 5,7 3.644,8 1.262,10 3.778,11 3.778,12 1.182,13 3.693,14 2,15 0.821,16 70.587,17 0.886,19 21,20 8.444,21 1.182,22 13.185,23 3,24 11.193,25 1.545,26 1.178,27 4.13,29 4.474,30 4.474,31 7.474,32 4.474,33 2.721,34 1.037,35 4.633,36 0.818,37 1.269,38 2.588,39 183.097,41 0.257,42 2.02,43 1.181,44 0.981,45 3.65,46 3.119,47 3.496,48 2.909,49 31.042,50 6,51 1.625,52 47.235,53 3,54 1.242,55 3.488,56 47.206,57 4.01,58 4.025,60 15.832,61 15.832,62 15.832,63 15.832,64 15.832,65 48.165,66 1,67 4.941,68 2.715,69 5.6}
{0 CHEMBL1983963,2 1,3 1,4 1,6 5,7 3.442,8 1.225,10 4.688,11 4.688,12 1.094,13 3.492,15 0.82,16 62.79,17 0.882,19 21,20 8.669,21 1.042,22 24.218,23 3,24 17.311,25 0.765,26 1.107,27 4.11,29 4.626,30 4.626,31 7.626,32 4.626,33 2.365,34 0.886,35 4.51,36 -0.304,37 1.231,38 2.741,39 182.808,41 0.272,42 1.182,43 1.163,44 0.821,45 3.687,46 3.108,47 3.225,48 2.869,49 26.123,50 7,51 1.34,52 44.744,53 2.943,54 1.181,55 3.181,56 44.715,57 3.913,58 4.025,60 14.831,61 14.831,62 14.831,63 14.831,64 14.831,65 45.308,66 1,67 4.728,68 2.715,69 5.6}
{0 CHEMBL1984038,1 1,2 2,6 3,7 3.801,8 1.533,10 6.518,11 6.518,12 1.476,13 3.796,15 1.128,17 1.181,19 27,20 12.66,21 2.157,22 41.012,23 3,24 29.987,25 2.009,26 1.487,27 4.104,29 4.453,30 4.453,31 7.453,32 4.453,33 3.599,34 1.226,35 4.949,36 1.486,37 1.517,38 3.186,39 311.926,41 0.245,42 2.517,43 1.533,44 1.163,45 3.443,46 3.353,47 3.689,48 3.239,49 49.294,50 10,51 1.734,52 64.601,53 3.3,54 1.571,55 3.724,56 64.481,57 4.306,58 4.443,60 21.065,61 21.065,62 21.065,63 21.065,64 21.065,65 64.541,66 0.63,67 5.171,68 3.023,69 5.6}
{0 CHEMBL1984191,1 1,6 4,7 2.881,8 0.823,10 2.241,11 2.241,12 0.651,13 2.922,15 0.28,16 49.023,17 0.365,19 17,20 5.728,21 -0.034,22 0.907,23 3,24 2.167,25 -0.219,26 0.658,27 4.044,29 4.208,30 4.208,31 7.208,32 4.208,33 1.499,34 0.656,35 4.001,36 -1.5,37 0.795,38 1.948,39 152.14,41 0.407,42 0.234,43 0.662,44 0.614,45 3.36,46 2.771,47 2.786,48 2.356,49 11.213,50 6,51 1.131,52 31.373,53 2.468,54 0.77,55 2.811,56 31.592,57 3.451,58 3.689,60 10.36,61 10.36,62 10.36,63 10.36,64 10.36,65 31.737,66 1,67 4.169,68 2.091,69 5.6}
{0 CHEMBL1984363,1 1,6 4,7 3.488,8 1.294,10 4.947,11 4.947,12 1.137,13 3.53,15 0.857,16 66.529,17 0.915,19 21,20 8.753,21 0.96,22 20.515,23 3,24 16.28,25 1.002,26 1.141,27 4.136,29 4.621,30 4.621,31 7.621,32 4.621,33 2.394,34 1.039,35 4.581,36 0.011,37 1.298,38 2.703,39 188.925,41 0.269,42 1.337,43 1.181,44 0.975,45 3.639,46 3.114,47 3.316,48 2.91,49 27.571,50 6,51 1.361,52 46.515,53 3,54 1.248,55 3.292,56 46.523,57 3.959,58 4.078,60 15.282,61 15.282,62 15.282,63 15.282,64 15.282,65 47.039,66 0.88,67 4.851,68 2.718,69 5.6}
{0 CHEMBL1984367,1 1,6 4,7 3.544,8 1.308,10 3.803,11 3.803,12 1.238,13 3.619,15 0.821,16 130.822,17 0.934,18 1,19 20,20 8.169,21 0.912,22 19.434,23 3,24 14.261,25 1.118,26 1.283,27 4.131,29 4.611,30 4.611,31 7.611,32 4.611,33 2.302,34 1.082,35 4.613,36 0.294,37 1.239,38 2.484,39 204.731,40 2.05,41 0.272,42 1.674,43 1.194,44 1.011,45 3.545,46 3.009,47 3.335,48 2.854,49 27.813,50 6,51 1.469,52 45.336,53 2.925,54 1.321,55 3.311,56 45.344,57 3.953,58 4.043,59 1,60 14.804,61 14.804,62 14.804,63 14.804,64 14.804,65 45.959,66 1,67 4.79,68 2.715,69 5.6}
{0 CHEMBL1984586,2 1,3 1,4 1,6 5,7 3.428,8 1.226,10 4.075,11 4.075,12 1.094,13 3.476,15 0.82,16 62.352,17 0.882,19 21,20 8.586,21 1.042,22 20.04,23 3,24 15.479,25 0.908,26 1.107,27 4.11,29 4.626,30 4.626,31 7.626,32 4.626,33 2.365,34 0.886,35 4.51,36 -0.11,37 1.233,38 2.654,39 183.974,41 0.274,42 1.296,43 1.163,44 0.821,45 3.687,46 3.11,47 3.209,48 2.869,49 25.624,50 7,51 1.336,52 44.797,53 2.944,54 1.181,55 3.162,56 44.788,57 3.913,58 4.043,60 14.809,61 14.809,62 14.809,63 14.809,64 14.809,65 45.189,66 1,67 4.727,68 2.715,69 5.6}
{0 CHEMBL1984633,2 1,6 3,7 3.466,8 1.107,10 2.89,11 2.89,12 1.038,13 3.527,15 0.751,16 71.212,17 0.826,19 17,20 6.795,21 0.628,22 18.055,23 3,24 13.021,25 0.286,26 1.087,27 3.987,29 4.007,30 4.007,31 7.007,32 4.007,33 1.896,34 0.886,35 4.444,36 -0.879,37 1.062,38 2.009,39 175.475,41 0.334,42 0.748,43 1.102,44 0.821,45 3.639,46 2.925,47 3.289,48 2.789,49 21.194,50 6,51 1.317,52 38.492,53 2.865,54 1.181,55 3.294,56 38.351,57 3.812,58 3.829,60 12.771,61 12.771,62 12.771,63 12.771,64 12.771,65 38.984,66 1,67 4.621,68 2.627,69 5.6}
{0 CHEMBL1985074,6 2,7 3.165,8 0.809,10 2.237,11 2.237,12 0.447,13 3.195,14 1,15 0.173,17 0.228,18 1,19 14,20 5.919,21 -0.191,22 8.139,23 1,24 10.33,25 -0.354,26 0.48,27 4.1,29 4.593,30 4.593,31 7.593,32 4.593,33 1.316,34 0.586,35 4.148,36 -1.72,37 0.786,38 1.555,39 152.264,41 0.447,42 -0.069,43 0.507,44 0.525,45 3.852,46 2.651,47 3.017,48 2.343,49 9.852,50 5,51 1.061,52 30.083,53 2.39,54 0.829,55 3.026,56 30.055,57 3.493,58 3.738,60 9.777,61 9.777,62 9.777,63 9.777,64 9.777,65 30.177,66 1,67 4.373,68 2.148,69 5.6}
{0 CHEMBL1985092,1 2,6 3,7 3.661,8 1.107,10 5.041,11 5.041,12 1.062,13 3.71,15 0.821,16 74.607,17 0.875,19 23,20 8.287,21 1.061,22 21.733,23 4,24 15.401,25 0.708,26 1.099,27 4.078,28 2,29 4.322,30 4.322,31 7.322,32 4.322,33 2.333,34 0.886,35 4.427,36 -0.296,37 1.062,38 2.643,39 188.52,41 0.319,42 1.096,43 1.114,44 0.821,45 3.129,46 2.925,47 3.516,48 2.854,49 24.335,50 6,51 1.341,52 44.801,53 2.925,54 1.181,55 3.491,56 45.1,57 3.89,58 4.025,60 14.825,61 14.825,62 14.825,63 14.825,64 14.825,65 45.373,66 1,67 4.742,68 2.715,69 5.6}
{0 CHEMBL1985095,1 2,2 1,3 1,4 1,6 7,7 3.562,8 1.415,10 5.465,11 5.465,12 1.337,13 3.623,14 1,15 0.943,16 176.034,17 1.018,18 1,19 27,20 11.595,21 1.977,22 10.917,23 3,24 9.628,25 1.764,26 1.328,27 4.205,29 4.699,30 4.699,31 7.699,32 4.699,33 3.392,34 1.215,35 4.653,36 1.182,37 1.386,38 3.151,39 262.258,41 0.254,42 2.283,43 1.255,44 1.14,45 3.957,46 3.258,47 3.34,48 2.906,49 28.75,50 9,51 1.546,52 57.291,53 2.961,54 1.356,55 3.347,56 57.264,57 4.049,58 4.369,60 18.35,61 18.35,62 18.35,63 18.35,64 18.35,65 57.983,66 0.88,67 4.87,68 2.805,69 5.6}
{0 CHEMBL1985406,1 1,6 3,7 3.391,8 1.042,10 3.281,11 3.281,12 0.987,13 3.458,14 1,15 0.676,16 50.422,17 0.758,19 15,20 6.977,21 0.651,22 11.42,23 2,24 10.255,25 0.428,26 1.014,27 4.126,29 4.527,30 4.527,31 7.527,32 4.527,33 2,34 0.829,35 4.406,36 -0.79,37 1.074,38 2.137,39 157.672,41 0.375,42 0.674,43 0.999,44 0.786,45 3.704,46 2.981,47 3.226,48 2.714,49 18.609,50 6,51 1.319,52 37.209,53 2.785,54 1.039,55 3.211,56 37.165,57 3.753,58 3.871,60 12.276,61 12.276,62 12.276,63 12.276,64 12.276,65 37.458,66 1,67 4.702,68 2.529,69 5.6}
{0 CHEMBL1986139,1 1,3 1,4 1,6 3,7 3.046,8 0.76,10 2.136,11 2.136,12 0.26,13 3.124,16 30.955,19 15,20 5.473,21 -0.293,22 19.407,23 2,24 11.088,25 -0.427,26 0.261,27 4.055,29 4.582,30 4.582,31 7.582,32 4.582,33 1.372,34 0.477,35 3.913,36 -1.752,37 0.738,38 1.709,39 146.842,41 0.42,42 0.127,43 0.381,44 0.4,45 3.313,46 2.414,47 2.863,48 2.163,49 8.865,50 5,51 0.907,52 28.166,53 2.238,54 0.735,55 2.855,56 28.298,57 3.369,58 3.584,60 9.405,61 9.405,62 9.405,63 9.405,64 9.405,65 28.462,66 1,67 4.108,68 1.961,69 5.6}
{0 CHEMBL1986186,6 3,7 3.231,8 1.107,10 2.967,11 2.967,12 1.047,13 3.328,14 2,15 0.667,17 0.73,19 10,20 4.651,22 22.014,23 2,24 14.61,25 -0.049,26 0.996,27 3.984,29 4.227,30 4.227,31 7.227,32 4.227,33 1.607,34 0.886,35 4.413,36 -1.49,37 1.062,38 1.726,39 132.061,41 0.467,43 0.903,44 0.804,45 3.334,46 2.925,47 3.008,48 2.854,49 14,50 5,51 1.161,52 32.116,53 2.925,54 1.181,55 3.032,56 32.034,57 3.741,58 3.664,60 10.309,61 10.309,62 10.309,63 10.309,64 10.309,65 33.144,66 1,67 4.648,68 2.57,69 5.6}
{0 CHEMBL1986263,1 1,6 4,7 3.34,8 1.23,10 3.818,11 3.818,12 0.985,13 3.421,15 0.722,16 66.112,17 0.792,18 1,19 17,20 7.444,21 0.681,22 31.6,23 3,24 21.932,25 0.371,26 1.021,27 3.976,29 4.022,30 4.022,31 7.022,32 4.022,33 2,34 0.996,35 4.516,36 -0.762,37 1.237,38 2.189,39 183.251,40 1.747,41 0.355,42 0.796,43 1.07,44 0.934,45 3.793,46 3.105,47 3.156,48 2.766,49 19.292,50 7,51 1.311,52 38.26,53 2.84,54 1.113,55 3.188,56 38.194,57 3.843,58 3.892,59 1,60 12.694,61 12.694,62 12.694,63 12.694,64 12.694,65 38.518,66 1,67 4.648,68 2.603,69 5.6}
{0 CHEMBL1986328,2 2,3 2,4 2,6 4,7 3.645,8 1.329,9 1,10 4.631,11 4.631,12 1.239,13 3.713,15 0.879,16 125.216,17 0.934,19 20,20 7.939,21 1.018,22 12.321,23 3,24 9.184,25 0.936,26 1.308,27 4.109,29 4.497,30 4.497,31 7.497,32 4.497,33 2.625,34 1.065,35 4.508,36 -0.06,37 1.362,38 2.64,39 184.461,40 1.462,41 0.319,42 1.375,43 1.231,44 1.015,45 3.543,46 3.009,47 3.408,48 2.874,49 23.846,50 7,51 1.426,52 43.648,53 2.952,54 1.31,55 3.37,56 43.719,57 3.877,58 4.025,59 1,60 14.338,61 14.338,62 14.338,63 14.338,64 14.338,65 44.288,66 1,67 4.656,68 2.57,69 5.6}
{0 CHEMBL1986499,1 2,6 6,7 3.7,8 1.107,10 5.411,11 5.411,12 1.085,13 3.756,14 1,15 0.821,16 142.99,17 0.886,18 1,19 26,20 9.66,21 1.332,22 16.72,23 4,24 13.171,25 1.641,26 1.107,27 4.139,29 4.529,30 4.529,31 7.529,32 4.529,33 2.922,34 0.886,35 4.576,36 0.943,37 1.117,38 2.641,39 207.566,41 0.28,42 2.111,43 1.181,44 0.834,45 3.463,46 2.997,47 3.54,48 2.854,49 26.904,50 7,51 1.362,52 49.993,53 2.925,54 1.181,55 3.505,56 50.099,57 3.969,58 4.19,60 16.313,61 16.313,62 16.313,63 16.313,64 16.313,65 50.581,66 0.75,67 4.843,68 2.715,69 5.6}
{0 CHEMBL1986530,5 1,6 6,7 3.681,8 1.422,10 4.76,11 4.76,12 1.337,13 3.744,15 1.05,17 1.099,18 4,19 28,20 10.598,21 2,22 33.148,23 4,24 28.588,25 1.917,26 1.338,27 4.034,29 4.035,30 4.035,31 7.035,32 4.035,33 3.247,34 1.153,35 4.931,36 1.021,37 1.376,38 2.575,39 233.161,40 3.684,41 0.239,42 2.12,43 1.328,44 1.064,45 3.745,46 3.211,47 3.517,48 3.111,49 36.4,50 9,51 1.579,52 55.577,53 3.206,54 1.452,55 3.507,56 55.674,57 4.175,58 4.277,59 2,60 18.248,61 18.248,62 18.248,63 18.248,64 18.248,65 56.392,66 0.88,67 5.248,68 2.91,69 5.6}
{0 CHEMBL1986588,1 1,6 3,7 3.079,8 0.456,10 -1.306,11 -1.306,13 3.161,16 48.733,19 8,20 3.934,22 8.239,23 1,24 8.412,25 -1.148,27 4.119,29 4.664,30 4.664,31 7.664,32 4.664,34 0.023,35 3.873,36 -3,37 0.503,38 0.845,39 117.599,41 0.595,42 -0.598,45 3.664,46 2.234,47 2.825,48 1.622,49 6.402,50 5,51 0.889,52 22.005,53 1.68,54 0.362,55 2.816,56 21.964,57 3.229,58 3.367,60 6.873,61 6.873,62 6.873,63 6.873,64 6.873,65 22.462,66 1,67 3.864,68 1.406,69 4.6}
{0 CHEMBL1986603,1 1,2 1,3 1,4 1,6 7,7 3.689,8 1.489,10 4.907,11 4.907,12 1.46,13 3.74,14 1,15 1.094,16 328.41,17 1.169,18 1,19 21,20 9.464,21 2.118,22 34.462,23 4,24 27.537,25 1.69,26 1.437,27 4.045,29 4.157,30 4.157,31 7.157,32 4.157,33 3,34 1.237,35 4.739,36 1.044,37 1.518,38 2.808,39 235.294,41 0.236,42 2.175,43 1.331,44 1.177,45 4.153,46 3.201,47 3.532,48 2.985,49 43.219,50 11,51 1.476,52 51.922,53 3.067,54 1.359,55 3.532,56 51.907,57 4.097,58 4.111,60 17.309,61 17.309,62 17.309,63 17.309,64 17.309,65 52.945,66 1,67 4.938,68 2.781,69 5.6}
{0 CHEMBL1986781,1 1,2 1,3 2,4 2,6 6,7 3.745,8 1.429,10 5.844,11 5.844,12 1.328,13 3.798,15 1.064,16 140.707,17 1.128,18 2,19 26,20 10.067,21 1.698,22 30.45,23 4,24 18.58,25 1.92,26 1.329,27 4.17,29 4.679,30 4.679,31 7.679,32 4.679,33 3.25,34 1.153,35 4.803,36 1,37 1.376,38 2.775,39 225.658,40 1.854,41 0.257,42 2,43 1.315,44 1.097,45 3.982,46 3.206,47 3.583,48 3.042,49 31.777,50 9,51 1.42,52 52.961,53 3.136,54 1.352,55 3.554,56 53.045,57 4.088,58 4.234,59 1,60 17.303,61 17.303,62 17.303,63 17.303,64 17.303,65 53.641,66 0.88,67 5.085,68 2.815,69 5.6}
{0 CHEMBL1986970,1 2,5 1,6 6,7 3.633,8 1.393,10 4.137,11 4.137,12 1.292,13 3.703,15 0.906,16 152.879,17 1.014,18 3,19 20,20 8.932,21 1.245,22 22.285,23 3,24 16.403,25 1.375,26 1.353,27 4.13,29 4.429,30 4.429,31 7.429,32 4.429,33 2.829,34 1.203,35 4.74,36 0.591,37 1.418,38 2.301,39 198.251,40 1.629,41 0.313,42 1.896,43 1.341,44 1.135,45 3.799,46 3.116,47 3.408,48 2.971,49 28.114,50 8,51 1.4,52 47.342,53 3.084,54 1.453,55 3.389,56 47.305,57 4.046,58 4.111,59 1,60 15.776,61 15.776,62 15.776,63 15.776,64 15.776,65 48.107,66 1,67 4.897,68 2.771,69 5.6}
{0 CHEMBL1987007,1 1,2 1,6 4,7 3.459,8 1.427,10 3.598,11 3.598,12 1.073,13 3.519,15 0.821,16 106.994,17 0.886,18 2,19 20,20 7.574,21 0.547,22 22.977,23 3,24 14.036,25 0.326,26 1.127,27 4.131,29 4.611,30 4.611,31 7.611,32 4.611,33 2,34 1.153,35 4.624,36 -0.727,37 1.376,38 2.135,39 188.898,40 2.3,41 0.3,42 0.728,43 1.181,44 1.064,45 3.64,46 3.01,47 3.249,48 2.854,49 21.479,50 6,51 1.453,52 40.664,53 2.925,54 1.306,55 3.221,56 40.69,57 3.894,58 3.951,59 1,60 13.353,61 13.353,62 13.353,63 13.353,64 13.353,65 41.315,66 1,67 4.906,68 2.715,69 5.6}
{0 CHEMBL1987034,1 2,2 1,6 6,7 3.616,8 1.146,10 4.328,11 4.328,12 1.062,13 3.614,15 0.821,17 0.886,18 1,19 18,20 7.495,21 1.01,22 42.574,23 3,24 27.039,25 0.917,26 1.107,27 4.071,29 4.665,30 4.665,31 7.665,32 4.665,33 2.468,34 0.91,35 4.491,37 1.149,38 2.703,39 260.721,41 0.314,42 1.322,43 1.102,44 0.853,45 3.856,46 3.045,47 3.461,48 2.854,49 32.031,50 11,51 1.474,52 45.632,53 2.925,54 1.181,55 3.533,56 45.725,57 3.916,58 3.951,60 15.3,61 15.3,62 15.3,63 15.3,64 15.3,65 46.942,66 0.75,67 4.743,68 2.715,69 6.7}
{0 CHEMBL1987143,1 1,3 1,4 1,6 4,7 2.979,8 0.903,10 2.136,11 2.136,12 0.63,13 3.05,14 1,15 0.113,16 30.961,17 0.268,19 15,20 5.082,21 -0.356,22 2.5,23 2,24 3.162,25 -0.766,26 0.651,27 4.117,29 4.509,30 4.509,31 7.509,32 4.509,33 1.013,34 0.603,35 3.983,36 -2.288,37 0.9,38 1.628,39 110.16,41 0.432,42 -0.277,43 0.595,44 0.517,45 2.791,46 2.727,47 2.842,48 2.106,49 8.219,50 4,51 0.97,52 27.185,53 2.216,54 0.863,55 2.844,56 27.227,57 3.402,58 3.555,60 8.893,61 8.893,62 8.893,63 8.893,64 8.893,65 27.436,66 1,67 4.216,68 1.801,69 4.6}
{0 CHEMBL1987533,1 1,3 1,4 1,6 3,7 3.297,8 1.042,10 2.959,11 2.959,12 0.837,13 3.354,15 0.573,16 47.142,17 0.624,19 15,20 5.939,21 0.398,22 13.943,23 2,24 10.672,25 0.036,26 0.844,27 4.092,29 4.366,30 4.366,31 7.366,32 4.366,33 1.563,34 0.803,35 4.183,36 -1.392,37 1.006,38 2.04,39 138.783,41 0.355,42 0.522,43 0.83,44 0.739,45 3.511,46 2.854,47 3.128,48 2.466,49 13.39,50 5,51 1.25,52 32.438,53 2.554,54 1.066,55 3.118,56 32.53,57 3.589,58 3.664,60 10.882,61 10.882,62 10.882,63 10.882,64 10.882,65 32.673,66 1,67 4.454,68 2.23,69 5.6}
{0 CHEMBL1987679,1 1,2 1,3 1,4 1,6 4,7 3.619,8 1.269,10 5.187,11 5.187,12 1.166,13 3.681,14 1,15 0.885,16 143.43,17 0.909,18 1,19 24,20 9.848,21 1.643,22 18.936,23 3,24 16.738,25 1.404,26 1.163,27 4.131,29 4.474,30 4.474,31 7.474,32 4.474,33 3.019,34 1.042,35 4.679,36 0.587,37 1.258,38 2.548,39 209.963,41 0.229,42 1.688,43 1.132,44 0.987,45 3.891,46 3.072,47 3.473,48 2.913,49 30.009,50 7,51 1.607,52 51.432,53 2.977,54 1.274,55 3.477,56 51.323,57 4.046,58 4.174,60 16.84,61 16.84,62 16.84,63 16.84,64 16.84,65 51.719,66 0.88,67 4.962,68 2.773,69 5.6}
{0 CHEMBL1988075,3 1,4 1,6 5,7 3.786,8 1.362,10 5.71,11 5.71,12 1.206,13 3.822,15 0.839,16 78.333,17 0.895,19 27,20 11.002,21 2.246,22 24.25,23 4,24 18.938,25 1.959,26 1.214,27 4.134,29 4.724,30 4.724,31 7.724,32 4.724,33 3.414,34 1.159,35 4.7,36 1.5,37 1.312,38 2.964,39 252.445,41 0.23,42 2.5,43 1.183,44 1.1,45 3.716,46 3.274,47 3.7,48 2.945,49 43.052,50 8,51 1.676,52 56.998,53 3.04,54 1.303,55 3.712,56 56.944,57 4.108,58 4.29,60 18.769,61 18.769,62 18.769,63 18.769,64 18.769,65 57.645,66 0.75,67 4.966,68 2.776,69 5.6}
{0 CHEMBL1988594,2 1,3 1,4 1,6 6,7 3.476,8 1.167,10 4.962,11 4.962,12 1.062,13 3.525,15 0.821,16 71.618,17 0.886,19 21,20 8.983,21 1.179,22 31.522,23 3,24 22.405,25 1.157,26 1.107,27 4.069,28 1,29 4.613,30 4.613,31 7.613,32 4.613,33 2.65,34 0.886,35 4.501,36 0.233,37 1.156,38 2.804,39 210.856,41 0.257,42 1.492,43 1.179,44 0.821,45 3.454,46 3.078,47 3.261,48 2.854,49 31.275,50 9,51 1.467,52 47.479,53 2.925,54 1.181,55 3.216,56 47.419,57 3.939,58 4.06,60 15.821,61 15.821,62 15.821,63 15.821,64 15.821,65 48.062,66 1,67 4.766,68 2.715,69 5.6}
{0 CHEMBL1988608,1 1,6 5,7 3.529,8 1.19,10 4.452,11 4.452,12 1.142,13 3.575,14 2,15 0.828,16 71.205,17 0.902,18 1,19 19,20 8.542,21 1.177,22 34.011,23 3,24 22.035,25 0.935,26 1.166,27 4.108,29 4.382,30 4.382,31 7.382,32 4.382,33 2.529,34 1.007,35 4.513,36 0.015,37 1.195,38 2.428,39 192.971,41 0.274,42 1.342,43 1.165,44 0.961,45 4.042,46 3.015,47 3.324,48 2.899,49 26.633,50 8,51 1.401,52 46.506,53 2.987,54 1.183,55 3.301,56 46.478,57 3.942,58 4.078,60 15.306,61 15.306,62 15.306,63 15.306,64 15.306,65 47.365,66 1,67 4.726,68 2.73,69 5.6}
{0 CHEMBL1988717,1 2,2 2,3 1,4 1,6 8,7 3.809,8 1.326,10 6.259,11 6.259,12 1.318,13 3.869,14 1,15 1.019,16 197.356,17 1.073,19 26,20 11.445,21 2.248,22 29.401,23 4,24 22.502,25 2,26 1.302,27 4.153,28 1,29 4.667,30 4.667,31 7.667,32 4.667,33 3.414,34 1.09,35 4.807,36 1.5,37 1.408,38 3.126,39 263.901,41 0.217,42 2.5,43 1.205,44 1.039,45 3.903,46 3.295,47 3.632,48 3.039,49 47.469,50 12,51 1.546,52 61.246,53 3.137,54 1.265,55 3.599,56 61.467,57 4.158,58 4.357,60 19.744,61 19.744,62 19.744,63 19.744,64 19.744,65 62.315,66 0.75,67 4.994,68 2.806,69 6.5}
{0 CHEMBL1989029,1 1,6 3,7 3.382,8 1.069,10 3.195,11 3.195,12 0.96,13 3.435,14 2,15 0.704,16 90.564,17 0.771,19 14,20 6.192,22 19.632,23 2,24 15.478,26 1.003,27 4.043,29 4.184,30 4.184,31 7.184,32 4.184,33 1.688,34 0.902,35 4.313,36 -1.149,37 1.072,38 1.905,39 136.67,41 0.395,42 0.281,43 1.051,44 0.804,45 3.782,46 2.789,47 3.252,48 2.665,49 12.51,50 5,51 1.208,52 33.235,53 2.698,54 1.07,55 3.243,56 33.255,57 3.678,58 3.738,60 10.87,61 10.87,62 10.87,63 10.87,64 10.87,65 33.997,66 1,67 4.506,68 2.36,69 5.6}
{0 CHEMBL1989423,1 1,6 2,7 2.815,8 0.148,10 0.194,11 0.194,12 0.013,13 2.879,16 28.86,19 12,20 4.403,22 10.294,23 1,24 7.276,25 -1.027,26 0.098,27 4.093,29 4.231,30 4.231,31 7.231,32 4.231,35 3.783,36 -3,37 0.051,38 1.2,39 86.747,41 0.539,42 -0.766,43 0.222,45 3.141,46 1.939,47 2.687,48 1.466,49 4.167,50 2,51 0.902,52 21.269,53 1.682,54 0.302,55 2.693,56 21.251,57 3.151,58 3.401,60 6.942,61 6.942,62 6.942,63 6.942,64 6.942,65 21.386,66 1,67 3.954,68 0.956,69 4.6}
{0 CHEMBL1989474,1 1,3 1,4 1,6 4,7 3.089,8 1.022,10 2.275,11 2.275,12 0.826,13 3.17,15 0.434,16 49.323,17 0.527,19 17,20 5.735,21 0.204,22 3.162,23 3,24 4.79,25 -0.074,26 0.808,27 4.052,29 4.249,30 4.249,31 7.249,32 4.249,33 1.555,34 0.758,35 4.161,36 -1.5,37 0.996,38 1.671,39 127.848,41 0.41,42 0.454,43 0.771,44 0.677,45 3.361,46 2.852,47 2.897,48 2.53,49 12.294,50 5,51 1.217,52 31.514,53 2.625,54 1.052,55 2.902,56 31.597,57 3.535,58 3.664,60 10.392,61 10.392,62 10.392,63 10.392,64 10.392,65 32.026,66 1,67 4.311,68 2.286,69 5.6}
{0 CHEMBL1989518,2 1,6 3,7 3.26,8 0.922,10 2.136,11 2.136,12 0.885,13 3.317,14 1,15 0.466,17 0.596,18 2,19 12,20 4.367,21 -0.146,22 5.612,23 2,24 5.204,25 -0.249,26 0.913,27 3.953,29 3.726,30 3.726,31 6.726,32 3.726,33 1.029,34 0.666,35 4.203,36 -1.5,37 0.899,38 1.5,39 98.93,41 0.419,42 0.003,43 0.937,44 0.586,45 3.309,46 2.774,47 3.119,48 2.612,49 13.802,50 4,51 1.187,52 26.589,53 2.726,54 0.97,55 3.119,56 26.533,57 3.58,58 3.332,60 9.398,61 9.398,62 9.398,63 9.398,64 9.398,65 26.889,66 1,67 4.427,68 2.284,69 5.6}
{0 CHEMBL1989646,1 2,6 6,7 3.347,8 1.107,10 3.233,11 3.233,12 1.062,13 3.418,15 0.7,16 110.563,17 0.789,18 1,19 20,20 7.568,21 0.648,22 15.495,23 3,24 12.138,25 0.354,26 1.086,27 4.131,29 4.521,30 4.521,31 7.521,32 4.521,33 2,34 0.886,35 4.435,36 -0.77,37 1.115,38 2.138,39 163.323,41 0.313,42 0.695,43 1.06,44 0.821,45 3.635,46 2.998,47 3.177,48 2.854,49 18.805,50 6,51 1.268,52 39.429,53 2.925,54 1.181,55 3.158,56 39.454,57 3.796,58 3.951,60 12.827,61 12.827,62 12.827,63 12.827,64 12.827,65 39.847,66 1,67 4.638,68 2.618,69 5.6}
{0 CHEMBL1989708,1 1,3 2,4 2,6 6,7 3.808,8 1.506,10 5.71,11 5.71,12 1.396,13 3.847,14 1,15 1.105,16 179.984,17 1.198,18 1,19 26,20 11.671,21 2.258,22 27.679,23 4,24 22.442,25 2,26 1.429,27 4.142,29 4.726,30 4.726,31 7.726,32 4.726,33 3.414,34 1.246,35 4.876,36 1.5,37 1.519,38 2.941,39 265.027,41 0.225,42 2.5,43 1.386,44 1.207,45 4.058,46 3.319,47 3.686,48 3.144,49 50.25,50 9,51 1.593,52 60.103,53 3.222,54 1.462,55 3.682,56 60.015,57 4.236,58 4.331,60 19.786,61 19.786,62 19.786,63 19.786,64 19.786,65 61.037,66 0.75,67 5.137,68 2.968,69 6.5}
{0 CHEMBL1989834,1 1,6 2,7 2.989,8 0.757,10 2.136,11 2.136,12 0.642,13 3.031,14 1,16 27.489,17 0.064,19 15,20 5.355,21 -0.36,22 1.163,23 2,24 2.157,25 -0.751,26 0.63,27 4.121,29 4.62,30 4.62,31 7.62,32 4.62,33 1.024,34 0.471,35 3.942,36 -2.301,37 0.723,38 1.668,39 108.962,41 0.458,42 -0.29,43 0.581,44 0.389,45 2.777,46 2.495,47 2.897,48 2.371,49 7.375,50 3,51 0.928,52 27.161,53 2.433,54 0.819,55 2.903,56 27.211,57 3.397,58 3.584,60 8.899,61 8.899,62 8.899,63 8.899,64 8.899,65 27.415,66 1,67 4.205,68 1.942,69 4.6}
{0 CHEMBL1990254,2 1,6 3,7 3.516,8 1.107,10 2.666,11 2.666,12 1.062,13 3.591,15 0.821,17 0.886,18 1,19 18,20 6.759,21 0.596,22 11.74,23 3,24 8.567,25 0.42,26 1.107,27 4.015,29 3.926,30 3.926,31 6.926,32 3.926,33 2,34 0.886,35 4.464,36 -0.781,37 1.062,38 1.995,39 144.184,41 0.332,42 0.794,43 1.181,44 0.821,45 3.044,46 2.925,47 3.335,48 2.854,49 22.139,50 4,51 1.411,52 37.909,53 2.925,54 1.181,55 3.329,56 37.852,57 3.839,58 3.807,60 12.781,61 12.781,62 12.781,63 12.781,64 12.781,65 38.189,66 1,67 4.795,68 2.715,69 5.6}
{0 CHEMBL1990288,1 1,3 2,4 2,6 5,7 3.766,8 1.276,10 4.371,11 4.371,12 1.131,13 3.815,15 0.821,16 133.633,17 0.886,19 26,20 9.927,21 1.698,22 18.958,23 4,24 12.302,25 1.92,26 1.152,27 4.17,29 4.679,30 4.679,31 7.679,32 4.679,33 3.245,34 1.12,35 4.642,36 1.29,37 1.296,38 2.755,39 214.499,41 0.265,42 2.333,43 1.181,44 1.091,45 3.583,46 2.975,47 3.609,48 2.854,49 29.049,50 7,51 1.437,52 51.299,53 2.925,54 1.232,55 3.576,56 51.421,57 4.007,58 4.205,60 16.83,61 16.83,62 16.83,63 16.83,64 16.83,65 52.027,66 0.88,67 4.894,68 2.715,69 5.6}
{0 CHEMBL1990482,1 1,2 1,6 4,7 3.248,8 0.895,10 2.501,11 2.501,12 0.705,13 3.31,15 0.294,16 31.479,17 0.397,19 15,20 5.706,21 0.047,22 2.351,23 2,24 2.824,25 -0.049,26 0.718,27 4.13,29 4.566,30 4.566,31 7.566,32 4.566,33 1.501,34 0.61,35 4.042,36 -1.5,37 0.874,38 1.936,39 122.683,41 0.42,42 0.425,43 0.731,44 0.521,45 3.307,46 2.729,47 3.069,48 2.251,49 10.827,50 5,51 1.039,52 30.337,53 2.354,54 0.928,55 3.047,56 30.298,57 3.476,58 3.664,60 9.894,61 9.894,62 9.894,63 9.894,64 9.894,65 30.717,66 1,67 4.263,68 1.976,69 5.6}
{0 CHEMBL1990496,6 5,7 3.729,8 1.396,10 5.324,11 5.324,12 1.301,13 3.785,15 0.996,17 1.081,18 1,19 28,20 10.987,21 2.173,22 19.072,23 4,24 16.529,25 1.984,26 1.313,27 4.115,29 4.394,30 4.394,31 7.394,32 4.394,33 3.247,34 1.13,35 4.883,36 1.5,37 1.377,38 2.554,39 231.845,40 1.56,41 0.253,42 2.5,43 1.336,44 1.066,45 3.502,46 3.221,47 3.58,48 3.119,49 41.296,50 6,51 1.614,52 57.947,53 3.184,54 1.411,55 3.56,56 57.988,57 4.217,58 4.304,59 1,60 19.277,61 19.277,62 19.277,63 19.277,64 19.277,65 58.99,66 0.75,67 5.193,68 2.893,69 5.6}
{0 CHEMBL1990884,1 1,6 4,7 3.469,8 1.344,10 5.391,11 5.391,12 1.314,13 3.512,15 0.9,16 65.079,17 0.97,19 21,20 9.565,21 1.109,22 25.585,23 3,24 20.28,25 0.858,26 1.313,27 4.112,28 1,29 4.542,30 4.542,31 7.542,32 4.542,33 2.648,34 1.081,35 4.601,36 -0.125,37 1.324,38 2.78,39 205.285,41 0.284,42 1.197,43 1.248,44 1.022,45 3.754,46 3.156,47 3.297,48 2.95,49 28.014,50 7,51 1.31,52 48.818,53 3.046,54 1.316,55 3.268,56 48.85,57 3.99,58 4.159,60 15.762,61 15.762,62 15.762,63 15.762,64 15.762,65 49.47,66 1,67 4.823,68 2.734,69 5.6}
{0 CHEMBL1990885,1 1,6 4,7 3.494,8 1.558,10 5.105,11 5.105,12 1.282,13 3.548,14 1,15 0.935,16 154.273,17 0.998,18 4,19 14,20 8.825,21 1.042,22 30.71,23 2,24 25.99,25 1.037,26 1.283,27 4.085,29 4.332,30 4.332,31 7.332,32 4.332,33 2.459,34 1.343,35 4.852,36 0.078,37 1.575,38 2.442,39 193.084,40 2.238,41 0.337,42 1.183,43 1.258,44 1.256,45 3.63,46 3.297,47 3.357,48 3.093,49 30.19,50 7,51 1.585,52 46.081,53 3.147,54 1.545,55 3.343,56 46.081,57 4.101,58 4.094,59 1,60 15.105,61 15.105,62 15.105,63 15.105,64 15.105,65 46.73,66 1,67 5.08,68 2.88,69 5.6}
{0 CHEMBL1990904,1 1,3 1,4 1,6 6,7 3.753,8 1.123,9 1,10 4.394,11 4.394,12 1.07,13 3.81,15 0.821,16 52.977,17 0.884,18 1,19 24,20 8.484,21 0.966,22 13.162,23 4,24 9.533,25 0.777,26 1.107,27 4.152,29 4.662,30 4.662,31 7.662,32 4.662,33 2.476,34 0.886,35 4.588,36 -0.18,37 1.11,38 2.63,39 196.204,41 0.284,42 1.182,43 1.138,44 0.825,45 3.72,46 2.965,47 3.607,48 2.854,49 24.255,50 7,51 1.389,52 46.652,53 2.925,54 1.181,55 3.583,56 46.688,57 3.926,58 4.078,60 15.352,61 15.352,62 15.352,63 15.352,64 15.352,65 47.317,66 0.88,67 4.831,68 2.715,69 5.6}
{0 CHEMBL1990912,6 3,7 3.33,8 1.022,10 2.611,11 2.611,12 0.899,13 3.382,15 0.569,17 0.653,18 2,19 16,20 5.816,21 0.417,22 11.409,23 2,24 7.215,25 -0.026,26 0.921,27 4.097,29 4.396,30 4.396,31 7.396,32 4.396,33 1.555,34 0.721,35 4.288,36 -1.236,37 0.996,38 1.741,39 124.048,41 0.374,42 0.5,43 0.948,44 0.64,45 3.335,46 2.854,47 3.176,48 2.686,49 15.64,50 4,51 1.252,52 32.009,53 2.768,54 1.056,55 3.175,56 31.946,57 3.66,58 3.664,60 10.874,61 10.874,62 10.874,63 10.874,64 10.874,65 31.95,66 1,67 4.564,68 2.472,69 5.6}
{0 CHEMBL1991063,1 1,6 4,7 3.58,8 1.224,10 5.251,11 5.251,12 1.116,13 3.638,14 1,15 0.824,16 73.084,17 0.867,18 1,19 21,20 8.58,21 1.022,22 11.288,23 3,24 13.185,25 1.041,26 1.132,27 4.123,29 4.51,30 4.51,31 7.51,32 4.51,33 2.609,34 0.954,35 4.647,36 0.259,37 1.208,38 2.647,39 217.406,41 0.261,42 1.445,43 1.116,44 0.896,45 3.881,46 3.06,47 3.42,48 2.878,49 29.439,50 7,51 1.485,52 48.053,53 2.938,54 1.226,55 3.423,56 48.173,57 4,58 4.078,60 15.776,61 15.776,62 15.776,63 15.776,64 15.776,65 48.429,66 1,67 4.917,68 2.761,69 5.6}
{0 CHEMBL1991138,1 1,2 1,3 1,4 1,6 5,7 3.821,8 1.46,9 1,10 6.401,11 6.401,12 1.401,13 3.856,14 1,15 1.119,16 169.675,17 1.172,18 4,19 30,20 11.227,21 1.882,22 23.807,23 5,24 23.655,25 1.905,26 1.406,27 4.174,29 4.732,30 4.732,31 7.732,32 4.732,33 3.247,34 1.261,35 5.018,36 1.196,37 1.473,38 2.732,39 240.422,40 2.624,41 0.218,42 2.222,43 1.382,44 1.214,45 3.585,46 3.264,47 3.717,48 3.091,49 43.516,50 6,51 1.718,52 58.337,53 3.173,54 1.455,55 3.709,56 58.418,57 4.275,58 4.344,59 1,60 19.353,61 19.353,62 19.353,63 19.353,64 19.353,65 58.673,66 0.88,67 5.33,68 2.92,69 6.1}
{0 CHEMBL1991188,2 2,6 2,7 3.498,8 1.315,10 3.677,11 3.677,12 1.068,13 3.557,15 0.804,17 0.86,19 18,20 8.15,21 0.861,22 24.013,23 3,24 18.962,25 0.827,26 1.078,27 4.026,29 4.139,30 4.139,31 7.139,32 4.139,33 2.462,34 1.076,35 4.634,36 -0.117,37 1.331,38 2.378,39 180.727,41 0.336,42 1.211,43 1.12,44 1.039,45 3.509,46 3.189,47 3.316,48 2.898,49 27.357,50 6,51 1.399,52 44.087,53 2.957,54 1.26,55 3.31,56 44.026,57 3.983,58 4.007,60 14.642,61 14.642,62 14.642,63 14.642,64 14.642,65 44.434,66 1,67 4.829,68 2.734,69 5.6}
{0 CHEMBL1991285,6 5,7 3.464,8 1.28,9 1,10 5.458,11 5.458,12 1.205,13 3.513,14 2,15 0.883,16 89.72,17 0.932,18 1,19 17,20 7.935,21 1.336,22 31.855,23 3,24 25.707,25 1.205,26 1.167,27 3.987,29 4.053,30 4.053,31 7.053,32 4.053,33 2.637,34 0.988,35 4.693,36 0.318,37 1.299,38 2.569,39 203.006,41 0.316,42 1.428,43 1.101,44 0.947,45 4.187,46 3.136,47 3.254,48 3.018,49 32.8,50 10,51 1.58,52 47.273,53 3.081,54 1.281,55 3.212,56 47.355,57 4.022,58 4.007,60 15.7,61 15.7,62 15.7,63 15.7,64 15.7,65 48.626,66 1,67 5.026,68 2.818,69 5.6}
{0 CHEMBL1991356,1 1,3 1,4 1,6 2,7 3.283,8 1.027,10 3.135,11 3.135,12 0.919,13 3.329,14 1,15 0.661,16 31.986,17 0.709,19 19,20 7.553,21 0.583,22 19.091,23 2,24 16.113,25 0.285,26 0.944,27 4.12,29 4.338,30 4.338,31 7.338,32 4.338,33 2,34 0.806,35 4.333,36 -0.882,37 0.987,38 2.085,39 158.59,41 0.346,42 0.69,43 0.972,44 0.74,45 3.211,46 2.842,47 3.073,48 2.767,49 15.388,50 4,51 1.341,52 37.947,53 2.805,54 1.092,55 3.039,56 37.874,57 3.716,58 3.951,60 12.308,61 12.308,62 12.308,63 12.308,64 12.308,65 38.284,66 1,67 4.56,68 2.607,69 5.6}
{0 CHEMBL1991395,1 1,3 1,4 1,6 6,7 3.711,8 1.315,9 1,10 4.394,11 4.394,12 1.239,13 3.765,15 0.821,16 59.273,17 0.925,18 2,19 21,20 8.496,21 1.182,22 14.867,23 3,24 10.612,25 1.213,26 1.308,27 4.151,29 4.662,30 4.662,31 7.662,32 4.662,33 2.699,34 0.934,35 4.712,36 0.348,37 1.299,38 2.756,39 202.032,41 0.312,42 1.37,43 1.32,44 0.836,45 3.842,46 3.063,47 3.574,48 2.894,49 27.857,50 8,51 1.633,52 48.182,53 3.009,54 1.338,55 3.562,56 48.125,57 4.027,58 4.111,60 15.719,61 15.719,62 15.719,63 15.719,64 15.719,65 48.514,66 1,67 4.976,68 2.715,69 5.6}
{0 CHEMBL1991434,6 1,7 3.257,8 1.107,10 3.726,11 3.726,12 1.008,13 3.314,15 0.775,16 69.24,17 0.824,19 17,20 7.072,21 0.599,22 13.516,23 3,24 14.352,25 0.409,26 1.041,27 4.009,29 4.057,30 4.057,31 7.057,32 4.057,33 2,34 0.886,35 4.34,36 -0.672,37 1.062,38 2.057,39 188.388,41 0.365,42 0.913,43 1.053,44 0.821,45 3.481,46 2.925,47 3.024,48 2.854,49 19.333,50 6,51 1.117,52 38.32,53 2.888,54 1.101,55 3.014,56 38.493,57 3.762,58 3.892,60 12.674,61 12.674,62 12.674,63 12.674,64 12.674,65 38.784,66 1,67 4.446,68 2.685,69 5.6}
{0 CHEMBL1991725,1 1,2 2,3 1,4 1,6 5,7 3.743,8 1.518,10 5.459,11 5.459,12 1.413,13 3.803,14 2,15 1.071,16 88.929,17 1.135,18 2,19 25,20 11.212,21 2.15,22 16.618,23 3,24 15.288,25 2.046,26 1.415,27 4.138,29 4.474,30 4.474,31 7.474,32 4.474,33 3.214,34 1.341,35 4.964,36 1.632,37 1.515,38 2.769,39 235.502,40 1.853,41 0.23,42 2.589,43 1.426,44 1.281,45 3.704,46 3.423,47 3.559,48 3.199,49 39.778,50 7,51 1.654,52 59.563,53 3.255,54 1.519,55 3.545,56 59.492,57 4.268,58 4.277,59 1,60 19.823,61 19.823,62 19.823,63 19.823,64 19.823,65 60.225,66 0.75,67 5.211,68 2.966,69 5.6}
{0 CHEMBL1991800,1 1,3 1,4 1,6 6,7 3.821,8 1.417,9 1,10 6.011,11 6.011,12 1.339,13 3.869,15 0.976,16 68.464,17 1.067,18 2,19 24,20 9.62,21 1.456,22 16.338,23 4,24 14.25,25 1.631,26 1.33,27 4.171,29 4.724,30 4.724,31 7.724,32 4.724,33 3.106,34 1.153,35 4.915,36 0.776,37 1.376,38 2.85,39 235.698,41 0.271,42 1.825,43 1.413,44 1.064,45 3.889,46 3.206,47 3.675,48 3.042,49 35.515,50 8,51 1.652,52 55.864,53 3.115,54 1.417,55 3.672,56 55.796,57 4.201,58 4.248,60 18.196,61 18.196,62 18.196,63 18.196,64 18.196,65 56.307,66 0.88,67 5.189,68 2.864,69 5.6}
{0 CHEMBL1992306,6 4,7 3.481,8 1.194,10 5.126,11 5.126,12 1.124,13 3.542,14 1,15 0.844,17 0.895,19 18,20 8.097,21 1.185,22 35.733,23 3,24 27.005,25 1.172,26 1.122,27 3.986,29 3.869,30 3.869,31 6.869,32 3.869,33 2.713,34 0.961,35 4.623,36 0.222,37 1.2,38 2.781,39 204.028,41 0.289,42 1.471,43 1.181,44 0.904,45 3.636,46 3.05,47 3.243,48 2.941,49 36.208,50 10,51 1.309,52 48.697,53 2.998,54 1.196,55 3.206,56 48.942,57 3.997,58 4.007,60 16.245,61 16.245,62 16.245,63 16.245,64 16.245,65 49.512,66 1,67 4.839,68 2.768,69 6.3}
{0 CHEMBL1992323,6 2,7 2.985,8 0.213,10 1.432,11 1.432,12 0.111,13 3.013,14 1,16 17.239,19 13,20 5.119,21 -0.5,22 12.349,23 1,24 10.589,25 -0.899,26 0.186,27 4.126,29 4.631,30 4.631,31 7.631,32 4.631,33 1.092,35 3.743,36 -2.457,37 0.238,38 1.75,39 122.62,41 0.486,42 -0.42,43 0.121,45 3.684,46 1.978,47 2.817,48 1.711,49 6.72,50 5,51 0.905,52 26.071,53 1.824,54 0.294,55 2.806,56 26.227,57 3.209,58 3.584,60 8.393,61 8.393,62 8.393,63 8.393,64 8.393,65 26.6,66 1,67 3.935,68 1.269,69 5.6}
{0 CHEMBL1992342,1 1,6 4,7 3.412,8 1.107,10 3.169,11 3.169,12 1.037,13 3.477,15 0.688,16 57.587,17 0.771,18 1,19 15,20 6.901,21 0.63,22 5.975,23 2,24 8.618,25 0.199,26 1.073,27 4.131,29 4.511,30 4.511,31 7.511,32 4.511,33 2,34 0.886,35 4.482,36 -1.042,37 1.062,38 2.193,39 193.831,41 0.345,42 0.654,43 1.064,44 0.821,45 3.627,46 2.925,47 3.228,48 2.754,49 20.363,50 7,51 1.297,52 37.524,53 2.862,54 1.181,55 3.244,56 37.599,57 3.823,58 3.829,60 12.297,61 12.297,62 12.297,63 12.297,64 12.297,65 37.651,66 1,67 4.774,68 2.545,69 5.6}
{0 CHEMBL1992536,1 1,2 1,6 4,7 3.362,8 1.189,10 4.45,11 4.45,12 1.062,13 3.427,14 2,15 0.821,16 65.432,17 0.886,18 1,19 19,20 7.925,21 0.901,22 26.986,23 3,24 19.509,25 0.926,26 1.107,27 4.107,29 4.382,30 4.382,31 7.382,32 4.382,33 2.321,34 1.002,35 4.447,36 0.014,37 1.194,38 2.301,39 182.634,41 0.28,42 1.301,43 1.164,44 0.95,45 3.886,46 3.015,47 3.188,48 2.854,49 23.538,50 7,51 1.229,52 43.411,53 2.925,54 1.181,55 3.165,56 43.39,57 3.881,58 4.043,60 14.217,61 14.217,62 14.217,63 14.217,64 14.217,65 43.999,66 1,67 4.603,68 2.715,69 5.6}
{0 CHEMBL1992634,1 1,3 1,4 1,6 2,7 2.919,8 0.779,10 2.136,11 2.136,12 0.133,13 2.983,16 27.787,19 15,20 5.139,21 -0.42,22 0.676,23 2,24 1.644,25 -0.639,26 0.23,27 4.129,29 4.552,30 4.552,31 7.552,32 4.552,33 1.031,34 0.535,35 3.919,36 -2.131,37 0.745,38 1.594,39 135.202,41 0.444,42 -0.077,43 0.381,44 0.458,45 2.983,46 2.435,47 2.768,48 2.044,49 8.016,50 3,51 0.991,52 27.125,53 2.165,54 0.792,55 2.764,56 27.352,57 3.348,58 3.555,60 8.909,61 8.909,62 8.909,63 8.909,64 8.909,65 27.398,66 1,67 4.16,68 1.784,69 5.6}
{0 CHEMBL1992740,1 1,2 1,6 7,7 3.65,8 1.429,10 5.256,11 5.256,12 1.365,13 3.709,14 2,15 0.988,16 75.772,17 1.061,18 6,19 21,20 9.168,21 1.38,22 29.373,23 3,24 22.362,25 1.509,26 1.356,27 4.101,29 4.527,30 4.527,31 7.527,32 4.527,33 2.782,34 1.153,35 4.902,36 0.546,37 1.376,38 2.53,39 214.692,40 4.792,41 0.258,42 1.559,43 1.317,44 1.064,45 3.625,46 3.216,47 3.476,48 3.111,49 36.239,50 10,51 1.564,52 50.192,53 3.206,54 1.478,55 3.473,56 50.202,57 4.138,58 4.143,59 2,60 16.687,61 16.687,62 16.687,63 16.687,64 16.687,65 50.393,66 1,67 5.206,68 2.91,69 5.6}
{0 CHEMBL1993243,3 1,4 3,6 3,7 3.38,8 1.207,10 4.226,11 4.226,12 0.988,13 3.42,15 0.762,16 99.773,17 0.825,19 18,20 8.104,21 0.785,22 13.532,23 2,24 14.121,25 0.828,26 1.02,27 4.122,29 4.707,30 4.707,31 7.707,32 4.707,33 2.284,34 0.87,35 4.436,36 -0.214,37 1.208,38 2.526,39 198.791,41 0.319,42 1.311,43 1.077,44 0.823,45 4.034,46 3.041,47 3.205,48 2.828,49 22.323,50 7,51 1.345,52 42.186,53 2.879,54 1.165,55 3.197,56 42.097,57 3.832,58 4.043,60 13.741,61 13.741,62 13.741,63 13.741,64 13.741,65 42.512,66 1,67 4.56,68 2.679,69 6.9}
{0 CHEMBL1993584,1 1,2 1,3 1,4 1,6 3,7 3.603,8 1.26,10 3.711,11 3.711,12 1.062,13 3.644,14 1,15 0.821,16 67.608,17 0.886,18 1,19 21,20 8.179,21 0.958,22 7.558,23 3,24 8.307,25 1.393,26 1.107,27 4.128,29 4.474,30 4.474,31 7.474,32 4.474,33 2.521,34 1.032,35 4.617,36 0.585,37 1.245,38 2.319,39 175.477,41 0.251,42 1.687,43 1.181,44 0.975,45 3.603,46 3.065,47 3.459,48 2.854,49 29.531,50 5,51 1.616,52 45.505,53 2.925,54 1.277,55 3.462,56 45.481,57 3.992,58 3.97,60 15.364,61 15.364,62 15.364,63 15.364,64 15.364,65 46.208,66 1,67 4.907,68 2.715,69 5.6}
{0 CHEMBL1993661,1 2,6 5,7 3.638,8 1.498,10 5.752,11 5.752,12 1.307,13 3.655,15 1.002,17 1.075,19 18,20 9.181,21 1.431,22 48.09,23 3,24 30.317,25 1.235,26 1.362,27 4.086,29 4.736,30 4.736,31 7.736,32 4.736,33 2.859,34 1.159,35 4.763,36 0.42,37 1.476,38 2.613,39 272.539,41 0.338,42 1.539,43 1.194,44 1.072,45 3.807,46 3.281,47 3.481,48 3.115,49 30.563,50 12,51 1.51,52 49.778,53 3.188,54 1.54,55 3.54,56 49.746,57 4.111,58 4.159,60 16.473,61 16.473,62 16.473,63 16.473,64 16.473,65 49.354,66 0.75,67 4.86,68 2.859,69 7.1}
{0 CHEMBL1994040,1 1,3 1,4 1,6 6,7 3.804,8 1.411,9 1,10 6.236,11 6.236,12 1.328,13 3.862,15 0.964,16 67.127,17 1.059,18 1,19 24,20 10.05,21 1.476,22 17.95,23 4,24 16.265,25 1.554,26 1.33,27 4.172,29 4.731,30 4.731,31 7.731,32 4.731,33 3.113,34 1.153,35 4.865,36 0.698,37 1.376,38 2.862,39 241.246,41 0.278,42 1.762,43 1.413,44 1.064,45 3.969,46 3.192,47 3.642,48 3.04,49 33.787,50 9,51 1.61,52 56.432,53 3.115,54 1.417,55 3.622,56 56.532,57 4.165,58 4.248,60 18.308,61 18.308,62 18.308,63 18.308,64 18.308,65 57.224,66 0.88,67 5.146,68 2.849,69 5.6}
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{0 CHEMBL1994241,1 1,6 3,7 3.264,8 1.076,10 3.742,11 3.742,12 0.914,13 3.323,14 1,15 0.724,16 48.484,17 0.759,19 15,20 6.968,21 0.547,22 8.698,23 2,24 10.044,25 0.281,26 0.938,27 4.113,29 4.436,30 4.436,31 7.436,32 4.436,33 2,34 0.863,35 4.233,36 -0.817,37 1.103,38 2.298,39 186.367,41 0.372,42 0.75,43 0.915,44 0.822,45 3.932,46 2.977,47 3.074,48 2.779,49 16.802,50 6,51 1.132,52 36.989,53 2.824,54 1.071,55 3.059,56 37.18,57 3.682,58 3.871,60 12.203,61 12.203,62 12.203,63 12.203,64 12.203,65 38.78,66 1,67 4.44,68 2.653,69 5.6}
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{0 CHEMBL1994864,6 3,7 3.303,8 1.107,10 2.971,11 2.971,12 1.045,13 3.371,14 2,15 0.666,17 0.728,18 1,19 16,20 6.023,21 0.5,22 23.806,23 3,24 17.621,26 0.996,27 3.996,29 4.221,30 4.221,31 7.221,32 4.221,33 1.743,34 0.886,35 4.289,36 -1.287,37 1.062,38 2.182,39 143.728,41 0.345,42 0.5,43 0.902,44 0.821,45 3.504,46 2.925,47 3.152,48 2.854,49 17.636,50 5,51 1.245,52 35.573,53 2.923,54 1.181,55 3.162,56 35.547,57 3.722,58 3.784,60 11.818,61 11.818,62 11.818,63 11.818,64 11.818,65 36.23,66 1,67 4.475,68 2.633,69 5.6}
{0 CHEMBL1994938,1 1,3 2,4 2,6 5,7 3.668,8 1.397,10 4.86,11 4.86,12 1.24,13 3.718,15 0.841,16 165.413,17 0.917,18 2,19 20,20 8.855,21 1.461,22 13.868,23 3,24 15.488,25 1.543,26 1.239,27 4.118,29 4.705,30 4.705,31 7.705,32 4.705,33 2.729,34 1.228,35 4.655,36 0.909,37 1.351,38 2.862,39 241.993,41 0.259,42 2.118,43 1.194,44 1.158,45 4.062,46 3.175,47 3.516,48 2.858,49 36.778,50 8,51 1.477,52 48.661,53 2.959,54 1.322,55 3.511,56 48.856,57 4.017,58 4.094,60 16.292,61 16.292,62 16.292,63 16.292,64 16.292,65 49.418,66 0.88,67 4.908,68 2.736,69 7.8}
{0 CHEMBL1995172,1 1,3 1,4 1,6 2,7 2.847,8 0.186,10 0.604,11 0.604,13 2.91,16 33.554,19 12,20 4.615,21 -0.768,22 10.97,23 1,24 8.92,25 -1,27 4.089,29 4.258,30 4.258,31 7.258,32 4.258,33 0.51,35 3.775,36 -2.702,37 0.104,38 1.202,39 122.011,41 0.516,42 -0.65,45 3.484,46 2.179,47 2.718,48 1.552,49 4.899,50 3,51 0.939,52 23.095,53 1.636,54 0.306,55 2.727,56 23.3,57 3.16,58 3.466,60 7.426,61 7.426,62 7.426,63 7.426,64 7.426,65 23.327,66 1,67 3.946,68 1.386,69 4.9}
{0 CHEMBL1995813,1 1,3 1,4 1,6 6,7 3.367,8 1.175,10 3.438,11 3.438,12 1.1,13 3.433,15 0.688,16 44.209,17 0.782,19 21,20 7.471,21 0.656,22 17.803,23 3,24 10.605,25 0.34,26 1.118,27 4.124,29 4.531,30 4.531,31 7.531,32 4.531,33 2,34 1.002,35 4.607,36 -0.796,37 1.163,38 2.183,39 157.852,41 0.314,42 0.727,43 1.099,44 0.951,45 3.607,46 2.961,47 3.219,48 2.818,49 16.915,50 6,51 1.321,52 38.921,53 2.917,54 1.179,55 3.213,56 38.916,57 3.875,58 3.912,60 12.87,61 12.87,62 12.87,63 12.87,64 12.87,65 39.144,66 1,67 4.978,68 2.598,69 5.6}
{0 CHEMBL1996066,1 1,3 1,4 1,6 5,7 3.445,8 1.107,10 3.841,11 3.841,12 0.957,13 3.496,15 0.756,16 98.824,17 0.822,19 20,20 7.801,21 0.644,22 8.38,23 3,24 10.767,25 0.297,26 1.012,27 4.14,29 4.65,30 4.65,31 7.65,32 4.65,33 2.226,34 0.886,35 4.227,36 -0.924,37 1.062,38 2.355,39 182.008,41 0.33,42 0.745,43 0.965,44 0.821,45 3.425,46 2.925,47 3.31,48 2.758,49 17.887,50 6,51 1.287,52 39.413,53 2.807,54 1.141,55 3.288,56 39.346,57 3.67,58 3.97,60 12.797,61 12.797,62 12.797,63 12.797,64 12.797,65 40.98,66 1,67 4.456,68 2.64,69 5.6}
{0 CHEMBL1996111,1 2,5 1,6 6,7 3.531,8 1.308,10 3.984,11 3.984,12 1.13,13 3.62,15 0.821,16 131.326,17 0.904,18 1,19 20,20 8.208,21 0.827,22 19.165,23 3,24 13.355,25 0.921,26 1.127,27 4.129,29 4.428,30 4.428,31 7.428,32 4.428,33 2.513,34 0.934,35 4.579,36 -0.08,37 1.239,38 2.301,39 182.869,40 1.542,41 0.323,42 1.245,43 1.181,44 0.853,45 3.675,46 3.009,47 3.287,48 2.874,49 21.864,50 7,51 1.285,52 43.825,53 2.986,54 1.339,55 3.264,56 43.873,57 3.907,58 4.043,59 1,60 14.317,61 14.317,62 14.317,63 14.317,64 14.317,65 44.597,66 1,67 4.735,68 2.715,69 5.6}
{0 CHEMBL1996500,1 1,3 1,4 1,6 6,7 3.675,8 1.308,9 1,10 5.311,11 5.311,12 1.239,13 3.727,15 0.804,16 59.977,17 0.934,18 1,19 21,20 9.265,21 1.059,22 17.95,23 3,24 15.053,25 0.972,26 1.302,27 4.161,29 4.727,30 4.727,31 7.727,32 4.727,33 2.529,34 1.054,35 4.72,36 0.063,37 1.303,38 2.841,39 216.079,41 0.323,42 1.361,43 1.263,44 0.961,45 3.97,46 3.191,47 3.524,48 2.904,49 27.951,50 9,51 1.607,52 50.476,53 3.009,54 1.409,55 3.523,56 50.539,57 4.036,58 4.159,60 16.298,61 16.298,62 16.298,63 16.298,64 16.298,65 51.18,66 1,67 4.975,68 2.735,69 5.6}
{0 CHEMBL1996587,1 2,6 6,7 3.655,8 1.315,10 4.922,11 4.922,12 1.296,13 3.708,15 0.836,16 186.255,17 0.934,18 2,19 23,20 10.516,21 1.37,22 11.488,23 3,24 15.462,25 1.251,26 1.308,27 4.163,29 4.595,30 4.595,31 7.595,32 4.595,33 3.017,34 0.992,35 4.773,36 0.378,37 1.338,38 2.887,39 236.91,41 0.292,42 1.456,43 1.289,44 0.907,45 3.873,46 3.064,47 3.525,48 2.903,49 24.729,50 9,51 1.499,52 52.67,53 3.009,54 1.34,55 3.531,56 52.723,57 4.055,58 4.317,60 16.679,61 16.679,62 16.679,63 16.679,64 16.679,65 52.92,66 0.75,67 5.056,68 2.66,69 5.6}
{0 CHEMBL1996791,1 1,6 5,7 3.111,8 0.999,10 2.559,11 2.559,12 0.709,13 3.206,15 0.081,16 32.362,17 0.182,19 15,20 5.982,21 -0.257,22 12.222,23 2,24 13.404,25 -0.417,26 0.713,27 4.107,29 4.689,30 4.689,31 7.689,32 4.689,33 1.525,34 0.712,35 4.339,36 -1.482,37 1.002,38 1.702,39 189.281,41 0.434,42 -0.074,43 0.785,44 0.615,45 3.587,46 2.545,47 2.942,48 2.287,49 10.63,50 7,51 1.064,52 30.423,53 2.378,54 0.945,55 3.035,56 30.736,57 3.604,58 3.714,60 9.849,61 9.849,62 9.849,63 9.849,64 9.849,65 30.669,66 1,67 4.697,68 1.933,69 5.6}
{0 CHEMBL1996817,1 1,3 1,4 1,6 3,7 3.328,8 1.107,10 2.469,11 2.469,12 0.938,13 3.397,15 0.611,16 37.852,17 0.672,18 1,19 15,20 6.153,21 0.5,22 5.814,23 2,24 5.392,26 0.969,27 4.125,29 4.631,30 4.631,31 7.631,32 4.631,33 1.606,34 0.886,35 4.397,36 -1.5,37 1.062,38 1.667,39 129.316,41 0.399,42 0.5,43 1.039,44 0.821,45 3.431,46 2.925,47 3.123,48 2.684,49 14.52,50 4,51 1.361,52 32.136,53 2.752,54 1.117,55 3.096,56 32.145,57 3.708,58 3.714,60 10.874,61 10.874,62 10.874,63 10.874,64 10.874,65 32.314,66 1,67 4.624,68 2.506,69 5.6}
{0 CHEMBL1996831,6 1,7 3.365,8 1.072,10 3.079,11 3.079,12 0.887,13 3.363,15 0.673,16 71.707,17 0.714,19 18,20 7.62,21 0.4,22 12.223,23 2,24 12.324,25 0.06,26 0.92,27 4.139,29 4.63,30 4.63,31 7.63,32 4.63,33 2,34 0.824,35 4.462,36 -1.283,37 1.053,38 2.075,39 150.82,41 0.377,42 0.546,43 0.945,44 0.785,45 3.432,46 2.927,47 3.187,48 2.818,49 13.669,50 3,51 1.507,52 36.848,53 2.886,54 1.062,55 3.166,56 36.896,57 3.745,58 3.951,60 11.871,61 11.871,62 11.871,63 11.871,64 11.871,65 36.633,66 1,67 4.788,68 2.635,69 5.6}
{0 CHEMBL1996837,1 1,6 4,7 3.131,8 0.765,10 -1.021,11 -1.021,12 0.323,13 3.228,16 53.412,19 8,20 4.711,21 -0.6,22 13.602,23 1,24 11.574,25 -0.945,26 0.289,27 4.127,29 4.779,30 4.779,31 7.779,32 4.779,33 1,34 0.365,35 3.954,36 -2.704,37 0.771,38 1.185,39 129.713,41 0.604,42 -0.5,43 0.015,44 0.219,45 3.522,46 2.276,47 2.852,48 2.007,49 6.857,50 6,51 0.92,52 23.715,53 2.074,54 0.643,55 2.828,56 23.69,57 3.319,58 3.497,60 7.337,61 7.337,62 7.337,63 7.337,64 7.337,65 24.228,66 1,67 3.967,68 1.716,69 4.6}
{0 CHEMBL1996931,2 1,6 2,7 3.591,8 1.107,10 3.3,11 3.3,12 1.062,13 3.641,15 0.821,17 0.886,18 1,19 18,20 6.975,21 0.788,22 9.091,23 3,24 10.237,25 0.628,26 1.107,27 4.013,29 3.926,30 3.926,31 6.926,32 3.926,33 2,34 0.886,35 4.512,36 -0.438,37 1.062,38 2.29,39 164.467,41 0.314,42 1.044,43 1.181,44 0.821,45 3.39,46 2.925,47 3.433,48 2.854,49 26.698,50 5,51 1.504,52 40.682,53 2.925,54 1.181,55 3.431,56 40.734,57 3.89,58 3.85,60 13.759,61 13.759,62 13.759,63 13.759,64 13.759,65 41.067,66 1,67 4.852,68 2.715,69 5.6}
{0 CHEMBL1996979,1 1,3 1,4 1,6 3,7 3.478,8 1.107,10 4.645,11 4.645,12 1.062,13 3.534,14 1,15 0.787,16 57.713,17 0.832,19 21,20 8.736,21 1,22 13.651,23 3,24 10.775,25 0.681,26 1.047,27 4.138,29 4.555,30 4.555,31 7.555,32 4.555,33 2.352,34 0.886,35 4.379,36 -0.408,37 1.074,38 2.52,39 182,41 0.304,42 1.161,43 1.035,44 0.821,45 3.302,46 2.98,47 3.318,48 2.854,49 20.799,50 6,51 1.361,52 43.483,53 2.925,54 1.118,55 3.299,56 43.61,57 3.801,58 4.043,60 14.31,61 14.31,62 14.31,63 14.31,64 14.31,65 44.161,66 1,67 4.679,68 2.715,69 7.1}
{0 CHEMBL1997023,6 3,7 3.159,8 0.828,10 2.27,11 2.27,12 0.702,13 3.199,14 3,15 0.368,16 41.339,17 0.388,19 9,20 4.677,21 -0.157,22 18.742,23 1,24 13.524,25 -0.434,26 0.714,27 4.071,29 4.438,30 4.438,31 7.438,32 4.438,33 1.198,34 0.59,35 4.107,36 -1.99,37 0.814,38 1.667,39 138.044,40 1.802,41 0.511,42 -0.102,43 0.503,44 0.538,45 3.883,46 2.716,47 2.972,48 2.229,49 11.556,50 7,51 1.174,52 28.834,53 2.289,54 0.783,55 2.994,56 28.843,57 3.499,58 3.555,59 1,60 9.341,61 9.341,62 9.341,63 9.341,64 9.341,65 29.391,66 1,67 4.213,68 1.998,69 5.6}
{0 CHEMBL1997129,1 1,6 3,7 3.418,8 1.143,10 3.255,11 3.255,12 1.062,13 3.489,15 0.804,16 46.979,17 0.854,18 1,19 21,20 7.502,21 0.749,22 6.909,23 3,24 7.745,25 0.579,26 1.107,27 4.081,29 4.187,30 4.187,31 7.187,32 4.187,33 2.297,34 0.886,35 4.459,36 -0.514,37 1.16,38 2.189,39 157.655,41 0.292,42 0.93,43 1.106,44 0.821,45 3.435,46 2.925,47 3.264,48 2.805,49 21.319,50 4,51 1.392,52 40.334,53 2.867,54 1.181,55 3.268,56 40.316,57 3.82,58 3.912,60 13.376,61 13.376,62 13.376,63 13.376,64 13.376,65 41.181,66 1,67 4.766,68 2.689,69 5.6}
{0 CHEMBL1997340,1 1,2 2,5 1,6 4,7 3.334,8 1.232,10 3.826,11 3.826,12 1.074,13 3.384,14 1,15 0.734,16 112.953,17 0.802,18 2,19 20,20 7.469,21 0.576,22 8.387,23 3,24 8.524,25 0.346,26 1.084,27 4.119,29 4.393,30 4.393,31 7.393,32 4.393,33 2.094,34 0.933,35 4.498,36 -0.823,37 1.238,38 2.285,39 166.854,40 1.62,41 0.307,42 0.607,43 1.043,44 0.848,45 3.949,46 2.993,47 3.17,48 2.695,49 17.822,50 7,51 1.231,52 39.558,53 2.735,54 1.184,55 3.147,56 39.653,57 3.815,58 3.932,59 1,60 12.837,61 12.837,62 12.837,63 12.837,64 12.837,65 40.388,66 1,67 4.804,68 2.421,69 5.6}
{0 CHEMBL1997597,1 1,6 4,7 3.352,8 1.107,10 3.168,11 3.168,12 0.976,13 3.419,15 0.678,16 53.62,17 0.755,18 1,19 15,20 6.266,21 0.526,22 5.975,23 2,24 8.618,25 0.098,26 1.012,27 4.131,29 4.511,30 4.511,31 7.511,32 4.511,33 2,34 0.886,35 4.395,36 -1.286,37 1.062,38 2.193,39 188.161,41 0.355,42 0.653,43 1.054,44 0.821,45 3.592,46 2.925,47 3.201,48 2.725,49 18.496,50 7,51 1.268,52 36.101,53 2.832,54 1.114,55 3.185,56 36.15,57 3.757,58 3.807,60 11.736,61 11.736,62 11.736,63 11.736,64 11.736,65 36.054,66 1,67 4.67,68 2.519,69 5.6}
{0 CHEMBL1997617,1 1,2 1,3 1,4 1,6 6,7 3.787,8 1.471,10 6.075,11 6.075,12 1.376,13 3.825,15 1.064,16 80.947,17 1.153,18 4,19 33,20 11.965,21 2.168,22 34.175,23 5,24 28.063,25 2,26 1.429,27 4.166,29 4.731,30 4.731,31 7.731,32 4.731,33 3.414,34 1.178,35 5.119,36 1.46,37 1.443,38 2.86,39 254.198,40 5.134,41 0.213,42 2.468,43 1.513,44 1.087,45 3.46,46 3.289,47 3.696,48 3.111,49 49.475,50 7,51 1.709,52 61.767,53 3.206,54 1.513,55 3.692,56 61.85,57 4.347,58 4.394,59 2,60 20.274,61 20.274,62 20.274,63 20.274,64 20.274,65 62.315,66 0.63,67 5.456,68 2.91,69 8.5}
{0 CHEMBL1997764,1 1,2 1,3 1,4 1,6 3,7 3.491,8 1.107,10 3.543,11 3.543,12 1.062,13 3.541,14 1,15 0.821,16 60.088,17 0.886,19 21,20 8.108,21 0.815,22 15.343,23 3,24 11.833,25 0.809,26 1.107,27 4.138,29 4.555,30 4.555,31 7.555,32 4.555,33 2.366,34 0.909,35 4.479,36 -0.209,37 1.098,38 2.556,39 173.674,41 0.291,42 1.212,43 1.181,44 0.864,45 3.386,46 2.976,47 3.324,48 2.854,49 23.509,50 5,51 1.361,52 43.26,53 2.925,54 1.181,55 3.302,56 43.177,57 3.876,58 4.007,60 14.264,61 14.264,62 14.264,63 14.264,64 14.264,65 43.575,66 1,67 4.705,68 2.715,69 6.1}
{0 CHEMBL1997872,1 1,3 1,4 1,5 1,6 3,7 3.367,8 1.188,10 3.203,11 3.203,12 0.978,13 3.413,15 0.641,16 52.05,17 0.713,18 4,19 21,20 7.384,21 0.614,22 9.739,23 3,24 8.912,25 0.255,26 1.002,27 4.118,29 4.391,30 4.391,31 7.391,32 4.391,33 2.167,34 1.009,35 4.51,36 -0.78,37 1.169,38 2.138,39 158.755,40 1.843,41 0.313,42 0.729,43 1.04,44 0.966,45 3.515,46 2.942,47 3.246,48 2.755,49 17.183,50 5,51 1.396,52 39.194,53 2.827,54 1.211,55 3.241,56 39.182,57 3.812,58 3.912,59 1,60 12.854,61 12.854,62 12.854,63 12.854,64 12.854,65 39.563,66 1,67 4.763,68 2.589,69 5.6}
{0 CHEMBL1998112,1 2,3 1,4 1,6 5,7 3.357,8 1.501,10 4.455,11 4.455,12 1.228,13 3.406,15 0.916,16 64.597,17 0.985,19 21,20 9.308,21 1.361,22 28.736,23 3,24 19.544,25 1.186,26 1.226,27 4.131,29 4.52,30 4.52,31 7.52,32 4.52,33 2.688,34 1.19,35 4.62,36 0.366,37 1.484,38 2.559,39 202.27,41 0.311,42 1.454,43 1.207,44 1.114,45 3.762,46 3.261,47 3.191,48 3.057,49 25.42,50 8,51 1.341,52 47.728,53 3.129,54 1.404,55 3.172,56 47.614,57 4,58 4.143,60 15.674,61 15.674,62 15.674,63 15.674,64 15.674,65 47.932,66 1,67 4.777,68 2.87,69 7.5}
{0 CHEMBL1998121,1 1,6 4,7 3.441,8 1.062,10 3.528,11 3.528,12 1.013,13 3.522,15 0.703,16 62.342,17 0.762,18 1,19 15,20 7.011,21 0.637,22 19.461,23 2,24 15.022,25 0.292,26 1.055,27 4.101,29 4.366,30 4.366,31 7.366,32 4.366,33 2.092,34 0.868,35 4.433,36 -0.704,37 1.046,38 2.301,39 180.301,41 0.358,42 0.725,43 1.051,44 0.824,45 3.853,46 2.922,47 3.235,48 2.823,49 18.5,50 7,51 1.23,52 38.44,53 2.877,54 1.092,55 3.212,56 38.707,57 3.799,58 3.871,60 12.776,61 12.776,62 12.776,63 12.776,64 12.776,65 38.806,66 1,67 4.757,68 2.656,69 5.6}
{0 CHEMBL1998545,2 1,6 2,7 3.588,8 1.107,10 2.978,11 2.978,12 1.062,13 3.642,15 0.821,17 0.886,18 1,19 18,20 6.833,21 0.624,22 8.45,23 3,24 8.636,25 0.615,26 1.107,27 4.012,29 3.926,30 3.926,31 6.926,32 3.926,33 2,34 0.886,35 4.513,36 -0.523,37 1.062,38 2.04,39 147.708,41 0.319,42 1.044,43 1.181,44 0.821,45 3.169,46 2.925,47 3.426,48 2.854,49 24.986,50 4,51 1.503,52 39.018,53 2.925,54 1.181,55 3.422,56 38.938,57 3.883,58 3.807,60 13.293,61 13.293,62 13.293,63 13.293,64 13.293,65 39.37,66 1,67 4.854,68 2.715,69 5.6}
{0 CHEMBL1998585,3 1,4 1,6 5,7 3.464,8 1.223,10 5.436,11 5.436,12 1.062,13 3.509,15 0.821,16 75.892,17 0.886,19 21,20 9.373,21 1.302,22 24.778,23 3,24 19.296,25 1.146,26 1.107,27 4.093,29 4.626,30 4.626,31 7.626,32 4.626,33 2.865,34 0.893,35 4.545,36 0.27,37 1.231,38 2.809,39 242.096,41 0.263,42 1.468,43 1.147,44 0.839,45 3.893,46 3.107,47 3.234,48 2.866,49 31.584,50 11,51 1.374,52 51.762,53 2.94,54 1.162,55 3.187,56 51.906,57 3.943,58 4.174,60 16.767,61 16.767,62 16.767,63 16.767,64 16.767,65 52.587,66 1,67 4.751,68 2.715,69 6}
{0 CHEMBL1998829,1 1,3 1,4 1,6 3,7 3.48,8 1.107,10 3.5,11 3.5,12 1.062,13 3.532,14 1,15 0.821,16 56.193,17 0.886,19 21,20 7.797,21 0.771,22 11.333,23 3,24 9.121,25 0.592,26 1.107,27 4.137,29 4.555,30 4.555,31 7.555,32 4.555,33 2.252,34 0.886,35 4.36,36 -0.416,37 1.062,38 2.556,39 175.775,41 0.299,42 1.113,43 1.095,44 0.821,45 3.157,46 2.925,47 3.323,48 2.854,49 21.357,50 5,51 1.361,52 41.987,53 2.925,54 1.181,55 3.304,56 42.169,57 3.785,58 3.97,60 13.836,61 13.836,62 13.836,63 13.836,64 13.836,65 42.559,66 1,67 4.65,68 2.715,69 5.9}
{0 CHEMBL1999112,2 2,3 2,4 2,6 3,7 3.554,8 1.377,10 4.984,11 4.984,12 1.329,13 3.594,15 1.067,16 210.107,17 1.061,18 1,19 19,20 9.999,21 1.507,22 19.083,23 3,24 18.873,25 1.618,26 1.269,27 4.05,29 4.197,30 4.197,31 6.976,32 4.197,33 2.858,34 1.2,35 4.521,36 0.896,37 1.415,38 2.391,39 236.668,40 1.17,41 0.348,42 2.08,43 1.137,44 1.195,45 4.297,46 3.086,47 3.362,48 2.809,49 25.12,50 9,51 1.412,52 47.957,53 2.865,54 1.255,55 3.375,56 48.01,57 3.932,58 4.22,59 1,60 15.683,61 15.683,62 15.683,63 15.683,64 15.683,65 50.253,66 1,67 4.721,68 2.587,69 5.6}
{0 CHEMBL1999496,6 2,7 3.695,8 1.284,10 4.147,11 4.147,12 1.094,13 3.733,15 0.821,17 0.886,19 21,20 8.097,21 0.906,22 33.345,23 4,24 21.736,25 0.601,26 1.109,27 4.12,29 4.229,30 4.229,31 7.229,32 4.229,33 2.699,34 1.069,35 4.607,36 -0.505,37 1.246,38 2.36,39 177.324,41 0.328,42 0.942,43 1.181,44 1.003,45 3.152,46 3.171,47 3.599,48 2.854,49 21.923,50 3,51 1.342,52 43.48,53 2.925,54 1.332,55 3.605,56 43.449,57 3.948,58 4.043,60 14.329,61 14.329,62 14.329,63 14.329,64 14.329,65 44.134,66 1,67 4.871,68 2.715,69 5.6}
{0 CHEMBL1999714,1 1,6 2,7 3.194,8 0.909,10 2.481,11 2.481,12 0.554,13 3.261,15 0.239,17 0.294,19 15,20 5.48,21 -0.297,22 29.596,23 1,24 17.388,25 -0.393,26 0.595,27 4.031,29 4.046,30 4.046,31 7.046,32 4.046,33 1.176,34 0.608,35 4.103,36 -1.854,37 0.876,38 1.895,39 115.517,41 0.455,42 -0.07,43 0.653,44 0.519,45 3.037,46 2.697,47 3.013,48 2.445,49 8.401,50 3,51 1.116,52 28.444,53 2.539,54 0.949,55 3.004,56 28.446,57 3.483,58 3.611,60 9.393,61 9.393,62 9.393,63 9.393,64 9.393,65 28.845,66 1,67 4.42,68 2.231,69 5.6}
{0 CHEMBL1999718,6 5,7 3.419,8 1.057,10 4.45,11 4.45,12 0.98,13 3.465,15 0.637,17 0.72,19 16,20 7.233,21 0.76,22 24.828,23 2,24 19.502,25 0.525,26 0.991,27 4.086,29 4.476,30 4.476,31 7.476,32 4.476,33 2.268,34 0.832,35 4.341,36 -0.622,37 1.065,38 2.469,39 177.297,41 0.334,42 1,43 0.953,44 0.786,45 3.718,46 2.963,47 3.204,48 2.76,49 24.923,50 9,51 1.224,52 41.75,53 2.847,54 0.979,55 3.153,56 41.916,57 3.734,58 3.912,60 13.766,61 13.766,62 13.766,63 13.766,64 13.766,65 43.624,66 1,67 4.558,68 2.559,69 5.6}
{0 CHEMBL1999811,6 5,7 3.253,8 1.081,10 3.652,11 3.652,12 0.979,13 3.298,14 2,15 0.573,16 52.43,17 0.623,19 15,20 6.714,21 0.56,22 15.16,23 2,24 13.263,25 0.397,26 0.955,27 4.043,28 2,29 4.459,30 4.459,31 7.459,32 4.459,33 1.951,34 0.883,35 4.184,36 -0.683,37 1.078,38 2.321,39 168.901,41 0.321,42 0.795,43 0.815,44 0.839,45 3.7,46 2.918,47 3.112,48 2.681,49 17.705,50 9,51 1.099,52 36.811,53 2.72,54 1.009,55 3.16,56 36.861,57 3.69,58 3.784,60 12.342,61 12.342,62 12.342,63 12.342,64 12.342,65 37.288,66 1,67 4.442,68 2.407,69 5.6}
{0 CHEMBL2000071,1 1,3 1,4 1,6 4,7 3.318,8 1.107,10 2.469,11 2.469,12 0.891,13 3.396,15 0.598,16 37.852,17 0.66,18 2,19 15,20 6.153,21 0.5,22 14.205,23 2,24 8.984,26 0.907,27 4.129,29 4.631,30 4.631,31 7.631,32 4.631,33 1.606,34 0.886,35 4.357,36 -1.5,37 1.062,38 1.667,39 128.49,41 0.399,42 0.5,43 0.942,44 0.816,45 3.704,46 2.923,47 3.117,48 2.643,49 14.52,50 5,51 1.36,52 32.136,53 2.719,54 1.116,55 3.091,56 32.149,57 3.696,58 3.714,60 10.874,61 10.874,62 10.874,63 10.874,64 10.874,65 32.314,66 1,67 4.622,68 2.435,69 5.6}
{0 CHEMBL2000114,1 1,3 1,4 1,6 4,7 3.177,8 0.869,10 1.211,11 1.211,12 0.557,13 3.261,15 0.015,16 30.439,17 0.148,18 2,19 9,20 4.609,21 -0.5,22 16.481,23 1,24 11.313,25 -0.86,26 0.593,27 4.089,29 4.587,30 4.587,31 7.587,32 4.587,33 0.481,34 0.487,35 4.197,36 -2.09,37 0.865,38 1.226,39 114.801,41 0.508,42 -0.413,43 0.645,44 0.395,45 3.756,46 2.459,47 2.949,48 2.297,49 9.625,50 6,51 1.063,52 24.256,53 2.381,54 0.865,55 2.976,56 24.193,57 3.513,58 3.434,60 8.308,61 8.308,62 8.308,63 8.308,64 8.308,65 24.222,66 1,67 4.353,68 1.953,69 5.6}
{0 CHEMBL2000335,3 1,4 1,6 5,7 3.461,8 1.33,10 4.929,11 4.929,12 1.218,13 3.512,15 0.821,16 66.604,17 0.886,19 21,20 8.768,21 1.042,22 24.827,23 3,24 18.168,25 0.958,26 1.216,27 4.094,29 4.626,30 4.626,31 7.626,32 4.626,33 2.378,34 1.072,35 4.577,36 -0.014,37 1.313,38 2.806,39 206.864,41 0.267,42 1.307,43 1.181,44 1.014,45 3.774,46 3.184,47 3.248,48 2.993,49 27.929,50 7,51 1.379,52 46.458,53 3.1,54 1.251,55 3.21,56 46.383,57 3.959,58 4.078,60 15.282,61 15.282,62 15.282,63 15.282,64 15.282,65 47.007,66 1,67 4.775,68 2.759,69 5.6}
{0 CHEMBL2000345,1 1,6 3,7 3.336,8 1.077,10 4.291,11 4.291,12 1.038,13 3.394,14 1,15 0.724,16 51.342,17 0.802,19 15,20 7.223,21 0.653,22 10.169,23 2,24 12.47,25 0.33,26 1.061,27 4.121,29 4.463,30 4.463,31 7.463,32 4.463,33 2.15,34 0.865,35 4.337,36 -0.617,37 1.104,38 2.312,39 193.367,41 0.367,42 0.812,43 1.046,44 0.822,45 4.073,46 2.987,47 3.18,48 2.78,49 18.444,50 6,51 1.193,52 38.712,53 2.873,54 1.098,55 3.17,56 38.86,57 3.752,58 3.912,60 12.686,61 12.686,62 12.686,63 12.686,64 12.686,65 40.592,66 1,67 4.512,68 2.653,69 5.6}
{0 CHEMBL2000354,2 1,6 2,7 3.274,8 1.107,10 3.491,11 3.491,12 1.046,13 3.331,14 1,15 0.781,16 66.694,17 0.83,19 17,20 6.709,21 0.659,22 15.157,23 3,24 14.539,25 0.345,26 1.052,27 3.971,28 1,29 3.938,30 3.938,31 6.938,32 3.938,33 1.87,34 0.883,35 4.283,36 -0.871,37 1.062,38 1.978,39 169.63,41 0.339,42 0.779,43 1.048,44 0.821,45 3.607,46 2.93,47 3.06,48 2.854,49 20.442,50 6,51 1.224,52 36.464,53 2.925,54 1.138,55 3.044,56 36.519,57 3.732,58 3.784,60 12.299,61 12.299,62 12.299,63 12.299,64 12.299,65 37.116,66 1,67 4.473,68 2.692,69 5.6}
{0 CHEMBL2000393,1 1,6 6,7 3.513,8 1.155,10 5.811,11 5.811,12 1.11,13 3.567,14 2,15 0.843,16 114.608,17 0.881,18 1,19 28,20 11.665,21 1.755,22 37.083,23 3,24 27.218,25 1.591,26 1.079,27 4.138,29 4.559,30 4.559,31 7.559,32 4.559,33 3.236,34 0.941,35 4.663,36 0.913,37 1.181,38 2.805,39 251.34,40 1.487,41 0.254,42 2.088,43 1.054,44 0.898,45 4.161,46 3.051,47 3.36,48 2.917,49 25.819,50 10,51 1.461,52 55.741,53 2.972,54 1.108,55 3.358,56 55.799,57 3.998,58 4.382,59 1,60 17.779,61 17.779,62 17.779,63 17.779,64 17.779,65 56.192,66 0.88,67 4.939,68 2.766,69 5.6}
{0 CHEMBL2000481,6 5,7 3.703,8 1.379,10 5.127,11 5.127,12 1.165,13 3.733,15 0.968,17 0.996,18 2,19 22,20 9.756,21 1.487,22 16.035,23 3,24 17.323,25 1.926,26 1.162,27 4.094,28 1,29 4.703,30 4.703,31 7.703,32 4.703,33 2.89,34 1.148,35 4.726,36 1.404,37 1.405,38 2.638,39 264.706,41 0.261,42 2.469,43 1.183,44 1.118,45 3.502,46 3.296,47 3.552,48 3.048,49 36.408,50 10,51 1.582,52 53.783,53 3.07,54 1.247,55 3.603,56 53.799,57 4.106,58 4.22,60 17.715,61 17.715,62 17.715,63 17.715,64 17.715,65 54.151,66 0.75,67 5.041,68 2.92,69 5.6}
{0 CHEMBL2000508,1 1,3 2,4 2,6 3,7 3.18,8 1.107,10 2.852,11 2.852,12 0.877,13 3.213,15 0.609,16 84.555,17 0.66,19 20,20 7.128,21 0.5,22 0.662,23 3,24 1.628,26 0.868,27 4.156,29 4.677,30 4.677,31 7.677,32 4.677,33 2,34 0.886,35 4.162,36 -1.378,37 1.062,38 2.094,39 168.916,41 0.361,42 0.5,43 0.854,44 0.821,45 3.189,46 2.833,47 3.087,48 2.65,49 13.986,50 5,51 1.362,52 36.356,53 2.716,54 1.158,55 3.109,56 36.375,57 3.588,58 3.892,60 11.886,61 11.886,62 11.886,63 11.886,64 11.886,65 36.764,66 1,67 4.366,68 2.48,69 5.6}
{0 CHEMBL2000568,1 1,3 1,4 1,6 2,7 3.289,8 0.929,10 2.337,11 2.337,12 0.741,13 3.348,15 0.42,16 37.755,17 0.502,19 15,20 5.467,21 -0.104,22 1.842,23 2,24 2.428,25 -0.032,26 0.781,27 4.117,29 4.391,30 4.391,31 7.391,32 4.391,33 1.439,34 0.673,35 4.122,36 -1.5,37 0.908,38 1.804,39 118.491,41 0.404,42 0.408,43 0.84,44 0.597,45 3.273,46 2.771,47 3.138,48 2.333,49 10.617,50 3,51 1.33,52 30.305,53 2.427,54 0.965,55 3.139,56 30.242,57 3.509,58 3.638,60 9.877,61 9.877,62 9.877,63 9.877,64 9.877,65 30.69,66 1,67 4.335,68 2.173,69 5.6}
{0 CHEMBL2000801,6 3,7 3.462,8 1.107,10 4.974,11 4.974,12 1.062,13 3.503,15 0.821,16 74.452,17 0.886,19 21,20 9.319,21 1.319,22 24.048,23 3,24 16.455,25 1.145,26 1.105,27 4.098,29 4.51,30 4.51,31 7.51,32 4.51,33 2.869,34 0.961,35 4.51,36 0.271,37 1.102,38 2.707,39 230.166,41 0.262,42 1.468,43 1.095,44 0.941,45 3.472,46 3.033,47 3.238,48 2.854,49 30.333,50 9,51 1.256,52 50.002,53 2.925,54 1.181,55 3.239,56 50.235,57 3.908,58 4.127,60 16.304,61 16.304,62 16.304,63 16.304,64 16.304,65 50.821,66 0.88,67 4.748,68 2.715,69 5.6}
{0 CHEMBL2000832,1 1,2 1,6 3,7 3.763,8 1.397,10 6.192,11 6.192,12 1.275,13 3.779,14 1,15 1.017,17 1.066,18 1,19 27,20 11.297,21 1.771,22 42.298,23 3,24 29.411,25 2.079,26 1.272,27 4.075,29 4.157,30 4.157,31 7.157,32 4.157,33 3.123,34 1.162,35 4.785,36 1.568,37 1.42,38 3.167,39 248.346,41 0.233,42 2.587,43 1.248,44 1.099,45 3.559,46 3.288,47 3.688,48 3.097,49 49.198,50 8,51 1.745,52 59.774,53 3.158,54 1.322,55 3.684,56 59.856,57 4.183,58 4.344,60 19.663,61 19.663,62 19.663,63 19.663,64 19.663,65 60.488,66 0.75,67 5.1,68 2.938,69 5.6}
{0 CHEMBL2001224,6 5,7 3.464,8 1.167,9 1,10 4.433,11 4.433,12 1.006,13 3.513,14 2,15 0.804,16 72.532,17 0.832,19 17,20 7.114,21 0.832,22 30.145,23 3,24 22.43,25 0.666,26 1.025,27 3.983,29 4.055,30 4.055,31 7.055,32 4.055,33 2.375,34 0.937,35 4.579,36 -0.326,37 1.198,38 2.429,39 177.016,41 0.336,42 1.023,43 1.035,44 0.886,45 3.891,46 3.029,47 3.252,48 2.869,49 24.183,50 8,51 1.496,52 40.951,53 2.979,54 1.105,55 3.209,56 41.087,57 3.891,58 3.871,60 13.766,61 13.766,62 13.766,63 13.766,64 13.766,65 42.206,66 1,67 4.89,68 2.635,69 5.6}
{0 CHEMBL2001239,1 1,2 2,6 6,7 3.638,8 1.157,10 5.034,11 5.034,12 1.062,13 3.667,15 0.726,17 0.838,18 1,19 18,20 7.739,21 1.015,22 34.589,23 3,24 23.318,25 0.789,26 1.107,27 4.035,29 4.209,30 4.209,31 7.209,32 4.209,33 2.637,34 0.886,35 4.55,36 -0.128,37 1.178,38 2.825,39 214.582,41 0.353,42 1.194,43 1.102,44 0.821,45 4.126,46 3.035,47 3.405,48 2.854,49 30.8,50 12,51 1.404,52 48.008,53 2.925,54 1.181,55 3.34,56 48.417,57 3.935,58 4.025,60 15.762,61 15.762,62 15.762,63 15.762,64 15.762,65 48.848,66 1,67 4.758,68 2.655,69 5.6}
{0 CHEMBL2001257,3 1,4 1,6 5,7 3.732,8 1.523,10 5.71,11 5.71,12 1.399,13 3.806,15 1.206,16 85.095,17 1.247,18 3,19 21,20 10.499,21 1.618,22 33.376,23 3,24 27.434,25 1.666,26 1.439,27 4.119,29 4.712,30 4.712,31 7.712,32 4.712,33 2.96,34 1.302,35 4.914,36 1.15,37 1.505,38 2.777,39 242.034,40 2.269,41 0.251,42 2.273,43 1.417,44 1.251,45 3.909,46 3.404,47 3.562,48 3.246,49 51.086,50 7,51 1.61,52 55.608,53 3.31,54 1.553,55 3.564,56 55.5,57 4.234,58 4.234,59 1,60 18.63,61 18.63,62 18.63,63 18.63,64 18.63,65 56.701,66 0.88,67 5.134,68 3.081,69 5.6}
{0 CHEMBL2001288,1 1,4 1,6 5,7 3.19,8 0.972,10 3.075,11 3.075,12 0.803,13 3.241,14 4,15 0.143,16 84.2,17 0.2,18 1,19 14,20 6.92,21 -0.109,22 18.574,23 2,24 14.107,25 -0.3,26 0.746,27 4.104,28 1,29 4.69,30 4.69,31 7.69,32 4.69,33 1.665,34 0.619,35 4.307,36 -1.283,37 0.998,38 1.76,39 217.302,41 0.436,42 -0.017,43 0.657,44 0.556,45 3.945,46 2.659,47 2.982,48 2.385,49 12.12,50 10,51 1.072,52 33.844,53 2.446,54 0.877,55 3.046,56 34.111,57 3.658,58 3.892,60 10.718,61 10.718,62 10.718,63 10.718,64 10.718,65 34.006,66 1,67 4.608,68 2.137,69 5.6}
{0 CHEMBL2001539,1 1,3 1,4 1,6 2,7 2.592,8 0.122,10 0.961,11 0.961,13 2.691,16 30.667,19 12,20 4.403,22 2.941,23 1,24 5.708,25 -1.096,27 4.067,29 4.194,30 4.194,31 6.956,32 4.194,35 3.808,36 -2.762,37 0.033,38 0.927,39 105.12,41 0.544,42 -0.878,45 3.584,46 2.078,47 2.407,48 1.612,49 3.333,50 3,51 0.958,52 21.42,53 1.737,54 0.248,55 2.444,56 21.39,57 3.157,58 3.401,60 6.926,61 6.926,62 6.926,63 6.926,64 6.926,65 21.676,66 1,67 3.978,68 1.293,69 4.6}
{0 CHEMBL2001547,1 1,3 1,4 1,6 6,7 3.679,8 1.337,9 1,10 5.579,11 5.579,12 1.239,13 3.731,15 0.805,16 62.349,17 0.934,18 1,19 21,20 9.6,21 1.302,22 17.95,23 3,24 16.265,25 1.304,26 1.308,27 4.164,29 4.73,30 4.73,31 7.73,32 4.73,33 2.676,34 1.06,35 4.783,36 0.419,37 1.332,38 2.848,39 221.246,41 0.323,42 1.593,43 1.299,44 0.964,45 3.907,46 3.191,47 3.528,48 2.904,49 29.798,50 9,51 1.61,52 51.608,53 3.009,54 1.414,55 3.528,56 51.735,57 4.086,58 4.19,60 16.736,61 16.736,62 16.736,63 16.736,64 16.736,65 52.225,66 1,67 5.054,68 2.735,69 5.6}
{0 CHEMBL2001751,1 1,2 2,3 2,4 2,6 4,7 3.79,8 1.59,10 6.233,11 6.233,12 1.453,13 3.815,14 1,15 1.139,16 271.773,17 1.15,18 1,19 29,20 11.988,21 2.294,22 18.632,23 4,24 16.112,25 2.05,26 1.394,27 4.135,29 4.474,30 4.474,31 7.474,32 4.474,33 3.341,34 1.371,35 4.846,36 1.628,37 1.586,38 2.81,39 251.742,41 0.199,42 2.588,43 1.29,44 1.305,45 3.937,46 3.414,47 3.668,48 3.029,49 43.676,50 7,51 1.626,52 61.872,53 3.085,54 1.572,55 3.652,56 61.825,57 4.219,58 4.382,60 20.301,61 20.301,62 20.301,63 20.301,64 20.301,65 62.785,66 0.75,67 5.133,68 2.88,69 5.6}
{0 CHEMBL2001920,6 2,7 2.926,8 0.353,10 3.287,11 3.287,12 0.203,13 2.973,16 72.525,19 14,20 6.187,21 -0.214,22 15.473,23 2,24 14.277,25 -0.547,26 0.206,27 4.027,29 4.259,30 4.259,31 7.259,32 4.259,33 1.527,35 3.827,36 -1.647,37 0.312,38 2.109,39 188.145,41 0.452,42 -0.018,43 0.061,45 3.762,46 2.508,47 2.829,48 1.993,49 9.778,50 7,51 1.032,52 31,53 2.094,54 0.373,55 2.889,56 31.173,57 3.322,58 3.738,60 9.866,61 9.866,62 9.866,63 9.866,64 9.866,65 31.33,66 1,67 4.009,68 1.661,69 5.6}
{0 CHEMBL2002346,1 1,3 1,4 1,6 5,7 3.376,8 1.107,10 3.137,11 3.137,12 0.983,13 3.441,15 0.687,16 45.429,17 0.762,18 1,19 21,20 7.295,21 0.659,22 15.848,23 3,24 9.712,25 0.346,26 1.006,27 4.124,29 4.531,30 4.531,31 7.531,32 4.531,33 2,34 0.886,35 4.387,36 -0.826,37 1.062,38 2.219,39 152.159,41 0.299,42 0.797,43 1.032,44 0.821,45 3.385,46 2.925,47 3.229,48 2.782,49 18.688,50 5,51 1.338,52 38.651,53 2.857,54 1.174,55 3.224,56 38.626,57 3.762,58 3.871,60 12.892,61 12.892,62 12.892,63 12.892,64 12.892,65 38.836,66 1,67 4.624,68 2.608,69 6.1}
{0 CHEMBL2002373,1 1,6 3,7 3.481,8 1.107,10 2.358,11 2.358,12 1.062,13 3.541,15 0.639,16 56.613,17 0.729,18 2,19 17,20 6.31,21 0.5,22 4.205,23 3,24 5.822,26 1.079,27 4.071,29 4.31,30 4.31,31 7.31,32 4.31,33 1.555,34 0.886,35 4.391,36 -1.137,37 1.062,38 1.675,39 131.686,41 0.403,42 0.5,43 1.104,44 0.821,45 3.291,46 2.925,47 3.296,48 2.738,49 15.905,50 4,51 1.204,52 33.558,53 2.811,54 1.181,55 3.294,56 33.526,57 3.732,58 3.738,60 11.374,61 11.374,62 11.374,63 11.374,64 11.374,65 33.668,66 1,67 4.654,68 2.539,69 5.6}
{0 CHEMBL2002702,1 1,6 2,7 3.202,8 1.021,10 2.935,11 2.935,12 0.959,13 3.297,15 0.59,16 76.722,17 0.704,19 14,20 5.925,21 -0.281,22 15.104,23 2,24 12.37,25 -0.174,26 1,27 4.064,29 4.159,30 4.159,31 7.159,32 4.159,33 1.268,34 0.773,35 4.221,36 -1.531,37 0.979,38 1.97,39 123.157,41 0.42,42 0.151,43 1.041,44 0.711,45 3.543,46 2.721,47 3.001,48 2.597,49 10.136,50 3,51 1.301,52 30.513,53 2.613,54 1.078,55 3.023,56 30.497,57 3.568,58 3.689,60 9.877,61 9.877,62 9.877,63 9.877,64 9.877,65 31.169,66 1,67 4.403,68 2.382,69 5.6}
{0 CHEMBL2002726,1 1,6 4,7 3.574,8 1.243,10 4.156,11 4.156,12 1.134,13 3.639,14 1,15 0.821,16 66.035,17 0.886,18 1,19 21,20 8.13,21 1.01,22 9.41,23 3,24 11.017,25 0.786,26 1.143,27 4.123,29 4.51,30 4.51,31 7.51,32 4.51,33 2.514,34 0.965,35 4.649,36 -0.217,37 1.222,38 2.357,39 175.176,41 0.269,42 1.053,43 1.181,44 0.894,45 3.587,46 3.062,47 3.407,48 2.854,49 26.617,50 5,51 1.484,52 44.634,53 2.939,54 1.231,55 3.407,56 44.601,57 3.988,58 3.989,60 14.842,61 14.842,62 14.842,63 14.842,64 14.842,65 45.076,66 1,67 4.921,68 2.715,69 5.6}
{0 CHEMBL2003271,6 2,7 3.325,8 0.984,10 3.971,11 3.971,12 0.808,13 3.359,15 0.591,16 50.849,17 0.638,19 15,20 7.14,21 0.5,22 16.802,23 2,24 14.113,25 0.085,26 0.846,27 4.103,29 4.716,30 4.716,31 7.716,32 4.716,33 2,34 0.886,35 4.144,36 -1.075,37 0.918,38 2.625,39 224.924,41 0.392,42 0.624,43 0.79,44 0.821,45 3.551,46 2.925,47 3.132,48 2.634,49 17.271,50 8,51 1.157,52 39.576,53 2.678,54 0.84,55 3.113,56 39.717,57 3.638,58 3.951,60 12.757,61 12.757,62 12.757,63 12.757,64 12.757,65 40.2,66 1,67 4.41,68 2.465,69 5.6}
{0 CHEMBL2003286,6 1,7 3.104,8 0.693,10 0.961,11 0.961,12 0.392,13 3.135,14 1,16 47.816,19 11,20 4.725,21 -0.5,22 8.592,23 2,24 10.216,25 -0.714,26 0.422,27 3.954,29 3.938,30 3.938,31 6.938,32 3.938,33 1.033,34 0.316,35 3.925,36 -2,37 0.732,38 1.676,39 130.456,41 0.482,42 -0.414,43 0.472,44 0.282,45 3.873,46 2.618,47 2.906,48 2.083,49 10.201,50 6,51 1.111,52 26.587,53 2.162,54 0.568,55 2.897,56 26.49,57 3.403,58 3.466,60 8.799,61 8.799,62 8.799,63 8.799,64 8.799,65 26.789,66 1,67 4.034,68 1.646,69 5.6}
{0 CHEMBL2003482,1 1,6 3,7 3.295,8 0.989,10 2.275,11 2.275,12 0.678,13 3.372,14 1,15 0.236,16 85.725,17 0.364,19 14,20 5.726,21 -0.081,22 16.748,23 2,24 15.894,25 -0.319,26 0.721,27 4.038,29 4.089,30 4.089,31 7.089,32 4.089,33 1.495,34 0.723,35 4.301,36 -1.532,37 0.992,38 1.768,39 133.526,41 0.361,42 0.033,43 0.755,44 0.689,45 3.65,46 2.841,47 3.084,48 2.387,49 12.188,50 5,51 1.332,52 31.231,53 2.499,54 0.915,55 3.076,56 31.382,57 3.613,58 3.638,60 10.381,61 10.381,62 10.381,63 10.381,64 10.381,65 31.35,66 1,67 4.59,68 2.107,69 5.6}
{0 CHEMBL2003638,1 2,2 2,3 1,4 1,6 6,7 3.772,8 1.275,10 5.622,11 5.622,12 1.071,13 3.829,14 1,15 0.821,16 155.424,17 0.886,18 1,19 26,20 9.919,21 2.087,22 24.912,23 4,24 17.529,25 1.706,26 1.107,27 4.131,29 4.522,30 4.522,31 7.522,32 4.522,33 3.235,34 1.061,35 4.617,36 1.064,37 1.321,38 2.918,39 216.059,41 0.238,42 2.206,43 1.181,44 1.03,45 3.562,46 3.105,47 3.605,48 2.896,49 36.11,50 8,51 1.407,52 52.611,53 2.956,54 1.211,55 3.567,56 52.718,57 4.012,58 4.19,60 17.33,61 17.33,62 17.33,63 17.33,64 17.33,65 53.379,66 0.88,67 4.887,68 2.734,69 5.7}
{0 CHEMBL2003817,2 1,6 5,7 3.38,8 1.017,9 1,10 3.673,11 3.673,12 0.872,13 3.429,14 1,15 0.457,17 0.541,19 16,20 6.78,21 0.5,22 22.484,23 2,24 16.178,25 0.268,26 0.869,27 4.085,29 4.476,30 4.476,31 7.476,32 4.476,33 2.132,34 0.789,35 4.314,36 -1,37 0.996,38 2.376,39 166.047,41 0.351,42 0.75,43 0.817,44 0.734,45 3.514,46 2.865,47 3.135,48 2.629,49 21.375,50 9,51 1.169,52 38.875,53 2.732,54 0.976,55 3.078,56 39.03,57 3.689,58 3.829,60 12.872,61 12.872,62 12.872,63 12.872,64 12.872,65 39.516,66 1,67 4.495,68 2.398,69 5.6}
{0 CHEMBL2004419,1 2,3 2,4 2,6 5,7 3.665,8 1.308,10 5.328,11 5.328,12 1.239,13 3.727,15 0.827,16 186.88,17 0.934,18 1,19 23,20 10.495,21 1.35,22 4.86,23 3,24 9.117,25 1.23,26 1.298,27 4.202,29 4.743,30 4.743,31 7.743,32 4.743,33 2.871,34 1.171,35 4.702,36 0.434,37 1.266,38 2.89,39 245.862,41 0.292,42 1.724,43 1.221,44 1.141,45 3.981,46 3.048,47 3.529,48 2.874,49 25.102,50 8,51 1.464,52 52.612,53 3.009,54 1.279,55 3.547,56 52.594,57 4.026,58 4.29,60 16.802,61 16.802,62 16.802,63 16.802,64 16.802,65 53.297,66 0.75,67 4.949,68 2.715,69 5.6}
{0 CHEMBL2004447,1 1,6 4,7 3.429,8 1.308,10 3.22,11 3.22,12 1.211,13 3.508,14 1,15 0.804,16 45.816,17 0.884,19 15,20 7.486,21 0.104,22 19.707,23 2,24 17.673,25 0.093,26 1.17,27 4.08,29 4.311,30 4.311,31 7.311,32 4.311,33 2,34 0.934,35 4.473,36 -1,37 1.239,38 2.017,39 166.945,41 0.449,42 0.538,43 1.127,44 0.804,45 3.804,46 3.009,47 3.248,48 2.874,49 13.69,50 6,51 1.109,52 38.522,53 3.009,54 1.239,55 3.229,56 38.603,57 3.797,58 3.97,60 12.255,61 12.255,62 12.255,63 12.255,64 12.255,65 40.506,66 1,67 4.738,68 2.57,69 5.6}
{0 CHEMBL2004692,1 1,3 1,4 1,6 8,7 3.639,8 1.149,10 3.225,11 3.225,12 1.132,13 3.682,14 4,15 0.821,16 239.865,17 0.886,19 21,20 8.521,21 1.138,22 8.953,23 4,24 12.198,25 1.463,26 1.107,27 4.056,28 1,29 4.386,30 4.386,31 7.386,32 4.386,33 2.572,34 0.887,35 4.364,36 0.927,37 1.228,38 2.127,39 207.308,41 0.306,42 2.118,43 1.02,44 0.828,45 3.826,46 2.931,47 3.428,48 2.806,49 25.572,50 11,51 1.389,52 44.837,53 2.925,54 1.181,55 3.37,56 44.802,57 3.842,58 4.043,60 14.826,61 14.826,62 14.826,63 14.826,64 14.826,65 45.79,66 1,67 4.538,68 2.597,69 5.6}
{0 CHEMBL2004871,1 1,6 3,7 3.484,8 1.107,10 2.493,11 2.493,12 1.062,13 3.543,15 0.638,16 60.697,17 0.728,18 2,19 17,20 6.462,21 0.5,22 4.867,23 3,24 7.449,25 0.006,26 1.077,27 4.073,29 4.313,30 4.313,31 7.313,32 4.313,33 2,34 0.886,35 4.4,36 -1.124,37 1.062,38 1.868,39 141.596,41 0.395,42 0.5,43 1.099,44 0.821,45 3.523,46 2.925,47 3.298,48 2.77,49 17.76,50 5,51 1.2,52 35.145,53 2.836,54 1.181,55 3.294,56 35.202,57 3.744,58 3.784,60 11.841,61 11.841,62 11.841,63 11.841,64 11.841,65 35.355,66 1,67 4.668,68 2.543,69 5.6}
{0 CHEMBL2004872,2 1,6 3,7 3.492,8 1.107,10 2.913,11 2.913,12 1.013,13 3.554,15 0.75,17 0.822,19 18,20 6.983,21 0.632,22 18.055,23 3,24 13.021,25 0.488,26 1.052,27 4.006,29 3.927,30 3.927,31 6.927,32 3.927,33 2,34 0.886,35 4.515,36 -0.71,37 1.062,38 2.066,39 154.813,41 0.323,42 0.839,43 1.115,44 0.821,45 3.409,46 2.925,47 3.313,48 2.792,49 23.984,50 5,51 1.396,52 39.711,53 2.873,54 1.181,55 3.308,56 39.613,57 3.871,58 3.85,60 13.254,61 13.254,62 13.254,63 13.254,64 13.254,65 40.108,66 1,67 4.734,68 2.627,69 5.6}
{0 CHEMBL2004892,1 1,6 4,7 3.345,8 1.107,10 3.167,11 3.167,12 0.97,13 3.408,15 0.599,16 49.725,17 0.698,19 15,20 6.206,21 0.5,22 5.975,23 2,24 8.035,26 1.007,27 4.129,29 4.51,30 4.51,31 7.51,32 4.51,33 2,34 0.789,35 4.301,36 -1.322,37 1.062,38 2.192,39 179.659,41 0.363,42 0.544,43 1.018,44 0.701,45 3.528,46 2.916,47 3.195,48 2.697,49 16.726,50 7,51 1.268,52 35.087,53 2.814,54 1.064,55 3.18,56 35.182,57 3.688,58 3.738,60 11.364,61 11.364,62 11.364,63 11.364,64 11.364,65 35.344,66 1,67 4.558,68 2.364,69 5.6}
{0 CHEMBL2005375,1 1,6 6,7 3.784,8 1.594,10 6.587,11 6.587,12 1.557,13 3.839,14 1,15 1.185,16 92.175,17 1.261,19 27,20 12.022,21 1.992,22 56.934,23 4,24 35.279,25 2,26 1.557,27 4.048,29 4.074,30 4.074,31 7.074,32 4.074,33 3.247,34 1.324,35 5.212,36 1,37 1.602,38 2.698,39 260.685,40 3.909,41 0.242,42 2,43 1.563,44 1.265,45 3.349,46 3.405,47 3.65,48 3.22,49 42.97,50 9,51 1.52,52 61.167,53 3.294,54 1.578,55 3.65,56 61.156,57 4.402,58 4.407,59 2,60 20.093,61 20.093,62 20.093,63 20.093,64 20.093,65 61.437,66 0.75,67 5.565,68 2.963,69 5.6}
{0 CHEMBL2005475,1 1,6 3,7 3.51,8 1.405,10 3.227,11 3.227,12 1.083,13 3.571,15 0.821,16 107.846,17 0.886,18 1,19 20,20 7.501,21 0.549,22 5.692,23 3,24 5.939,25 0.406,26 1.139,27 4.13,29 4.611,30 4.611,31 7.611,32 4.611,33 2.24,34 1.153,35 4.63,36 -0.634,37 1.376,38 2.04,39 183.567,41 0.293,42 0.728,43 1.181,44 1.064,45 3.431,46 3.019,47 3.306,48 2.854,49 22.382,50 5,51 1.467,52 40.427,53 2.925,54 1.306,55 3.281,56 40.404,57 3.903,58 3.932,60 13.37,61 13.37,62 13.37,63 13.37,64 13.37,65 40.85,66 1,67 4.985,68 2.715,69 5.6}
{0 CHEMBL2005528,1 1,6 2,7 3.295,8 1.008,10 3.022,11 3.022,12 0.85,13 3.365,14 1,15 0.468,16 26.267,17 0.538,18 2,19 13,20 6.141,21 -0.057,22 10.17,23 1,24 12.088,25 -0.103,26 0.893,27 4.162,29 4.625,30 4.625,31 7.625,32 4.625,33 1.476,34 0.705,35 4.314,36 -1.393,37 0.995,38 1.718,39 134.223,41 0.417,42 0.195,43 0.969,44 0.631,45 3.77,46 2.809,47 3.102,48 2.431,49 12.964,50 5,51 1.183,52 31.781,53 2.532,54 1.021,55 3.098,56 31.74,57 3.623,58 3.761,60 10.319,61 10.319,62 10.319,63 10.319,64 10.319,65 32.13,66 1,67 4.559,68 2.18,69 5.6}
{0 CHEMBL2005828,2 1,3 1,4 1,6 5,7 3.451,8 1.218,10 4.868,11 4.868,12 1.062,13 3.501,15 0.821,16 63.281,17 0.886,19 21,20 8.46,21 1.042,22 22.301,23 3,24 17.311,25 0.908,26 1.107,27 4.11,29 4.626,30 4.626,31 7.626,32 4.626,33 2.365,34 0.886,35 4.51,36 -0.109,37 1.224,38 2.797,39 182.808,41 0.27,42 1.297,43 1.181,44 0.821,45 3.687,46 3.102,47 3.236,48 2.854,49 26.623,50 7,51 1.344,52 44.79,53 2.925,54 1.181,55 3.196,56 44.783,57 3.913,58 4.025,60 14.814,61 14.814,62 14.814,63 14.814,64 14.814,65 45.212,66 1,67 4.728,68 2.715,69 5.6}
{0 CHEMBL2005886,1 1,4 1,6 5,7 3.731,8 1.429,10 5.661,11 5.661,12 1.346,13 3.785,15 1.043,16 68.637,17 1.115,18 5,19 27,20 11.06,21 2,22 47.172,23 4,24 32.179,25 1.952,26 1.371,27 4.144,28 2,29 4.577,30 4.577,31 7.577,32 4.577,33 3.247,34 1.153,35 4.916,36 1,37 1.376,38 2.729,39 246.921,40 2.288,41 0.247,42 2.046,43 1.363,44 1.064,45 4.135,46 3.221,47 3.534,48 3.111,49 38.308,50 9,51 1.591,52 57.373,53 3.206,54 1.513,55 3.517,56 57.448,57 4.213,58 4.304,59 1,60 18.775,61 18.775,62 18.775,63 18.775,64 18.775,65 57.956,66 0.75,67 5.205,68 2.91,69 5.8}
{0 CHEMBL2005899,6 3,7 3.466,8 1.308,10 3.25,11 3.25,12 1.062,13 3.508,14 2,15 0.804,17 0.886,19 10,20 5.816,21 0.338,22 23.584,23 2,24 16.136,26 1.107,27 4.006,29 4.246,30 4.246,31 7.246,32 4.246,33 2,34 0.934,35 4.557,36 -1,37 1.239,38 2.016,39 155.888,40 1.284,41 0.494,42 0.427,43 1.181,44 0.804,45 3.505,46 3.009,47 3.261,48 2.854,49 16.284,50 6,51 1.346,52 37.081,53 2.925,54 1.417,55 3.24,56 37.089,57 3.854,58 3.85,59 1,60 11.766,61 11.766,62 11.766,63 11.766,64 11.766,65 38.285,66 1,67 4.782,68 2.57,69 5.6}
{0 CHEMBL2005936,1 2,2 2,6 6,7 3.718,8 1.42,10 5.242,11 5.242,12 1.349,13 3.771,14 1,15 1.012,16 166.379,17 1.079,18 1,19 26,20 10.76,21 2.168,22 24.041,23 4,24 16.433,25 2,26 1.333,27 4.144,29 4.537,30 4.537,31 7.537,32 4.537,33 3.247,34 1.212,35 4.809,36 1.2,37 1.448,38 2.876,39 224.483,41 0.262,42 2.297,43 1.302,44 1.154,45 3.574,46 3.257,47 3.563,48 3.042,49 35.796,50 7,51 1.621,52 55.124,53 3.109,54 1.382,55 3.548,56 55.115,57 4.149,58 4.263,60 18.306,61 18.306,62 18.306,63 18.306,64 18.306,65 55.763,66 0.75,67 5.089,68 2.884,69 5.6}
{0 CHEMBL2006188,2 1,6 4,7 3.628,8 1.45,10 3.772,11 3.772,12 1.331,13 3.703,15 0.999,17 1.073,18 2,19 18,20 8.269,21 1.16,22 34,23 3,24 22.508,25 1.293,26 1.315,27 4.032,29 4.086,30 4.086,31 7.086,32 4.086,33 2.623,34 1.112,35 4.818,36 0.48,37 1.442,38 2.385,39 180.313,41 0.334,42 1.583,43 1.26,44 1.045,45 3.557,46 3.278,47 3.444,48 3.143,49 32.667,50 6,51 1.541,52 46.325,53 3.189,54 1.435,55 3.453,56 46.23,57 4.128,58 4.007,60 15.713,61 15.713,62 15.713,63 15.713,64 15.713,65 46.69,66 1,67 5.099,68 2.893,69 5.6}
{0 CHEMBL2006237,1 1,2 2,6 7,7 3.564,8 1.429,10 4.035,11 4.035,12 1.376,13 3.64,14 1,15 1.054,16 62.124,17 1.126,18 6,19 21,20 8.607,21 0.989,22 31.619,23 3,24 21.255,25 1.386,26 1.419,27 4.132,29 4.567,30 4.567,31 7.567,32 4.567,33 2.548,34 1.153,35 4.887,36 0.528,37 1.437,38 2.265,39 192.955,40 4.88,41 0.259,42 1.574,43 1.341,44 1.064,45 3.521,46 3.297,47 3.382,48 3.111,49 32.961,50 8,51 1.486,52 47.654,53 3.206,54 1.483,55 3.388,56 47.673,57 4.123,58 4.06,59 2,60 15.826,61 15.826,62 15.826,63 15.826,64 15.826,65 48.097,66 1,67 5.167,68 2.91,69 5.6}
{0 CHEMBL2006276,1 2,6 4,7 3.356,8 1.126,10 3.32,11 3.32,12 1.062,13 3.396,14 1,15 0.798,17 0.87,19 21,20 8.155,21 0.845,22 48.592,23 2,24 26.994,25 0.782,26 1.107,27 4.045,29 4.133,30 4.133,31 7.133,32 4.133,33 2.265,34 0.886,35 4.452,36 -0.216,37 1.122,38 2.353,39 172.06,41 0.323,42 1.101,43 1.116,44 0.821,45 3.282,46 3.018,47 3.155,48 2.854,49 20.848,50 6,51 1.199,52 41.325,53 2.925,54 1.181,55 3.117,56 41.257,57 3.846,58 3.989,60 13.797,61 13.797,62 13.797,63 13.797,64 13.797,65 41.551,66 1,67 4.735,68 2.715,69 5.6}
{0 CHEMBL2006493,7 3.117,8 0.818,10 3.358,11 3.358,12 0.541,13 3.146,15 0.124,17 0.158,19 14,20 6.486,22 20.068,23 1,24 16.524,25 -0.3,26 0.518,27 4.043,29 4.213,30 4.213,31 7.213,32 4.213,33 2,34 0.528,35 4.228,36 -1,37 0.857,38 2.005,39 154.446,41 0.429,43 0.548,44 0.51,45 3.693,46 2.699,47 2.901,48 2.336,49 12.6,50 6,51 0.991,52 33.912,53 2.359,54 0.722,55 2.881,56 34.108,57 3.531,58 3.829,60 10.83,61 10.83,62 10.83,63 10.83,64 10.83,65 34.872,66 1,67 4.484,68 2.071,69 5.6}
{0 CHEMBL2006785,6 2,7 3.336,8 0.999,10 3.79,11 3.79,12 0.892,13 3.367,15 0.773,16 48.361,17 0.818,19 15,20 6.929,21 0.5,22 14.03,23 2,24 13.727,25 0.083,26 0.94,27 4.099,29 4.709,30 4.709,31 7.709,32 4.709,33 2,34 0.845,35 4.161,36 -1.107,37 0.994,38 2.502,39 204.112,41 0.389,42 0.627,43 0.817,44 0.821,45 3.839,46 2.925,47 3.19,48 2.854,49 15.928,50 6,51 1.245,52 37.513,53 2.91,54 0.958,55 3.186,56 37.513,57 3.613,58 3.912,60 12.211,61 12.211,62 12.211,63 12.211,64 12.211,65 39.198,66 1,67 4.397,68 2.678,69 5.6}
{0 CHEMBL2007002,1 1,2 1,6 3,7 3.441,8 1.127,10 3.954,11 3.954,12 1.062,13 3.471,14 2,15 0.821,16 60.71,17 0.886,19 21,20 8.512,21 1.152,22 15.484,23 3,24 12.596,25 0.826,26 1.107,27 4.137,29 4.553,30 4.553,31 7.553,32 4.553,33 2.592,34 0.944,35 4.488,36 -0.132,37 1.132,38 2.22,39 184.415,41 0.299,42 1.179,43 1.14,44 0.893,45 3.485,46 2.981,47 3.297,48 2.854,49 25.306,50 6,51 1.39,52 44.832,53 2.925,54 1.181,55 3.271,56 44.826,57 3.91,58 4.06,60 14.742,61 14.742,62 14.742,63 14.742,64 14.742,65 45.304,66 1,67 4.727,68 2.715,69 5.6}
{0 CHEMBL2007044,1 1,2 1,6 5,7 3.625,8 1.456,10 5.181,11 5.181,12 1.233,13 3.681,15 0.963,16 106.31,17 1.029,18 3,19 18,20 8.802,21 1.412,22 21.796,23 2,24 20.724,25 1.331,26 1.226,27 4.13,29 4.393,30 4.393,31 7.393,32 4.393,33 2.618,34 1.238,35 4.688,36 0.454,37 1.446,38 2.465,39 186.103,40 2.297,41 0.281,42 1.618,43 1.211,44 1.175,45 3.81,46 3.202,47 3.476,48 3.023,49 34.25,50 5,51 1.484,52 45.851,53 3.111,54 1.356,55 3.469,56 45.842,57 3.981,58 4.111,59 1,60 15.112,61 15.112,62 15.112,63 15.112,64 15.112,65 47.919,66 1,67 4.886,68 2.837,69 5.6}
{0 CHEMBL2007064,1 1,6 2,7 3.439,8 1.197,10 4.491,11 4.491,12 1.09,13 3.468,15 0.746,16 110.746,17 0.83,19 14,20 7.043,21 0.474,22 15.203,23 2,24 14.447,25 0.144,26 1.103,27 4.081,29 4.275,30 4.275,31 7.275,32 4.275,33 2,34 0.858,35 4.47,36 -1.115,37 1.215,38 2.184,39 153.981,41 0.374,42 0.55,43 1.09,44 0.802,45 3.825,46 3.004,47 3.297,48 2.844,49 17.947,50 5,51 1.366,52 37.833,53 2.931,54 1.162,55 3.282,56 37.838,57 3.811,58 3.892,60 12.311,61 12.311,62 12.311,63 12.311,64 12.311,65 38.541,66 1,67 4.703,68 2.629,69 5.6}
{0 CHEMBL2007592,1 1,6 4,7 3.368,8 1.107,10 3.949,11 3.949,12 1.062,13 3.416,14 1,15 0.79,16 57.413,17 0.829,19 22,20 8.736,21 0.5,22 20.315,23 2,24 15.889,25 0.325,26 1.04,27 4.113,29 4.474,30 4.474,31 7.474,32 4.474,33 2.4,34 0.886,35 4.455,36 -0.831,37 1.066,38 2.382,39 202.118,41 0.318,42 0.754,43 0.891,44 0.821,45 3.771,46 2.925,47 3.239,48 2.762,49 16.628,50 6,51 1.172,52 41.942,53 2.825,54 1.181,55 3.281,56 41.969,57 3.768,58 4.094,60 13.392,61 13.392,62 13.392,63 13.392,64 13.392,65 42.382,66 0.88,67 4.732,68 2.618,69 5.6}
{0 CHEMBL2064666,1 1,2 3,6 6,7 3.775,8 1.564,10 6.358,11 6.358,12 1.508,13 3.819,14 1,15 1.196,16 188.232,17 1.245,18 4,19 29,20 13.025,21 2.048,22 60.808,23 4,24 41.162,25 2.085,26 1.498,27 4.076,29 4.175,30 4.175,31 7.175,32 4.175,33 3.273,34 1.32,35 5.186,36 1.21,37 1.547,38 2.704,39 286.815,40 2.575,41 0.213,42 2.216,43 1.529,44 1.262,45 3.898,46 3.376,47 3.616,48 3.191,49 43.997,50 10,51 1.649,52 64.837,53 3.274,54 1.593,55 3.605,56 64.933,57 4.399,58 4.477,59 1,60 21.174,61 21.174,62 21.174,63 21.174,64 21.174,65 65.409,66 0.75,67 5.548,68 2.936,69 7.137}
{0 CHEMBL207400,1 2,6 3,7 3.217,8 0.796,10 4.26,11 4.26,12 0.715,13 3.244,14 1,15 0.216,16 33.431,17 0.295,19 13,20 7.156,22 22.451,23 1,24 16.962,25 -0.3,26 0.69,27 4.089,29 4.477,30 4.477,31 7.477,32 4.477,33 2,34 0.534,35 4.191,36 -1.006,37 0.836,38 2.061,39 182.363,40 0.505,41 0.462,42 0.043,43 0.518,44 0.493,45 4.057,46 2.721,47 3.034,48 2.362,49 12.154,50 9,51 0.986,52 36.621,53 2.395,54 0.725,55 2.984,56 37.039,57 3.542,58 3.951,59 1,60 11.297,61 11.297,62 11.297,63 11.297,64 11.297,65 37.566,66 1,67 4.334,68 2.026,69 5.6}
{0 CHEMBL208637,6 4,7 3.148,8 0.869,10 -0.186,11 -0.186,12 0.646,13 3.209,15 0.198,17 0.327,18 1,19 6,20 4.162,21 -0.674,22 22.096,23 1,24 15.702,25 -0.898,26 0.674,27 3.935,29 4.136,30 4.136,31 7.136,32 4.136,33 0.496,34 0.442,35 4.059,36 -2.19,37 0.856,38 1.051,39 93.147,41 0.686,42 -0.5,43 0.618,44 0.321,45 3.78,46 2.626,47 2.991,48 2.31,49 10.75,50 6,51 1.021,52 22.67,53 2.443,54 0.839,55 2.968,56 22.646,57 3.424,58 3.258,60 7.798,61 7.798,62 7.798,63 7.798,64 7.798,65 24.134,66 1,67 4.216,68 1.974,69 5.6}
{0 CHEMBL210887,1 1,6 4,7 3.552,8 1.164,10 3.076,11 3.076,12 0.997,13 3.578,15 0.706,16 53.905,17 0.774,18 2,19 15,20 7.226,21 0.816,22 17.843,23 2,24 16.251,25 0.341,26 1.018,27 4.127,29 4.573,30 4.573,31 7.573,32 4.573,33 2,34 0.959,35 4.468,36 -0.874,37 1.165,38 2.367,39 166.664,41 0.362,42 1,43 1.044,44 0.906,45 3.76,46 3.018,47 3.279,48 2.783,49 20.736,50 8,51 1.332,52 40.075,53 2.859,54 1.173,55 3.233,56 40.057,57 3.84,58 3.912,60 13.303,61 13.303,62 13.303,63 13.303,64 13.303,65 40.239,66 1,67 4.767,68 2.526,69 5.6}
{0 CHEMBL210928,2 1,6 3,7 3.487,8 1.426,10 5.475,11 5.475,12 1.248,13 3.547,15 0.83,17 0.897,18 1,19 12,20 7.827,21 1,22 36.242,23 2,24 26.813,25 0.643,26 1.238,27 4.094,29 4.722,30 4.722,31 7.722,32 4.722,33 2.492,34 1.112,35 4.703,36 -0.33,37 1.4,38 2.559,39 243.976,41 0.427,42 1,43 1.172,44 1.021,45 3.927,46 3.221,47 3.269,48 2.975,49 26.749,50 11,51 1.389,52 44.294,53 3.087,54 1.45,55 3.268,56 44.235,57 4.035,58 3.989,60 14.615,61 14.615,62 14.615,63 14.615,64 14.615,65 44.166,66 0.88,67 4.842,68 2.767,69 5.6}
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{0 CHEMBL211378,2 1,6 6,7 3.44,8 1.2,10 4.688,11 4.688,12 1.081,13 3.489,15 0.803,16 62.79,17 0.876,19 21,20 8.669,21 1.042,22 24.218,23 3,24 17.311,25 0.765,26 1.107,27 4.093,29 4.626,30 4.626,31 7.626,32 4.626,33 2.365,34 0.886,35 4.49,36 -0.304,37 1.212,38 2.741,39 185.166,41 0.272,42 1.182,43 1.153,44 0.821,45 3.768,46 3.107,47 3.217,48 2.865,49 26.123,50 8,51 1.274,52 44.744,53 2.939,54 1.181,55 3.172,56 44.709,57 3.901,58 4.025,60 14.831,61 14.831,62 14.831,63 14.831,64 14.831,65 45.308,66 1,67 4.706,68 2.715,69 5.6}
{0 CHEMBL213505,2 1,6 6,7 3.462,8 1.199,10 5.261,11 5.261,12 1.081,13 3.507,15 0.803,16 73.006,17 0.876,19 21,20 9.187,21 1.176,22 26.901,23 3,24 19.34,25 1.019,26 1.107,27 4.094,29 4.626,30 4.626,31 7.626,32 4.626,33 2.726,34 0.886,35 4.532,36 0.085,37 1.212,38 2.808,39 216.642,41 0.262,42 1.322,43 1.152,44 0.821,45 3.768,46 3.108,47 3.227,48 2.865,49 30.667,50 11,51 1.266,52 50.072,53 2.94,54 1.181,55 3.17,56 50.297,57 3.932,58 4.127,60 16.306,61 16.306,62 16.306,63 16.306,64 16.306,65 50.909,66 1,67 4.725,68 2.715,69 5.6}
{0 CHEMBL215152,1 2,6 7,7 3.771,8 1.614,10 5.729,11 5.729,12 1.486,13 3.844,14 1,15 1.178,16 108.317,17 1.235,18 5,19 21,20 10.618,21 2.103,22 51.895,23 3,24 34.329,25 1.904,26 1.456,27 4.079,29 4.464,30 4.464,31 7.464,32 4.464,33 3.13,34 1.339,35 5.009,36 1.102,37 1.598,38 2.655,39 234.712,40 2.173,41 0.23,42 2.206,43 1.378,44 1.259,45 3.984,46 3.418,47 3.578,48 3.331,49 61.746,50 11,51 1.602,52 57.475,53 3.406,54 1.524,55 3.574,56 57.527,57 4.307,58 4.205,59 1,60 19.724,61 19.724,62 19.724,63 19.724,64 19.724,65 57.72,66 0.75,67 5.289,68 3.106,69 5}
{0 CHEMBL2171124,1 1,2 1,3 1,4 1,6 5,7 3.523,8 1.316,10 6.56,11 6.56,12 1.252,13 3.563,15 0.977,16 141.417,17 1.04,18 1,19 24,20 11.081,21 1.748,22 25.956,23 3,24 23.378,25 1.911,26 1.268,27 4.156,29 4.718,30 4.718,31 7.718,32 4.718,33 3.207,34 1.084,35 4.816,36 1.177,37 1.377,38 3.083,39 248.127,40 1.639,41 0.245,42 2.252,43 1.205,44 1.036,45 3.988,46 3.266,47 3.368,48 3.031,49 35.897,50 9,51 1.488,52 57.543,53 3.112,54 1.305,55 3.349,56 57.775,57 4.104,58 4.344,59 1,60 18.256,61 18.256,62 18.256,63 18.256,64 18.256,65 58.29,66 0.75,67 5.007,68 2.868,69 6.385}
{0 CHEMBL220057,1 1,6 5,7 3.449,8 1.295,10 4.71,11 4.71,12 1.099,13 3.503,15 0.835,16 62.779,17 0.897,19 21,20 8.653,21 0.889,22 24.218,23 3,24 17.311,25 0.778,26 1.112,27 4.134,29 4.621,30 4.621,31 7.621,32 4.621,33 2.314,34 1.04,35 4.547,36 -0.292,37 1.298,38 2.702,39 179.265,41 0.273,42 1.184,43 1.181,44 0.975,45 3.383,46 3.11,47 3.237,48 2.865,49 25.783,50 6,51 1.284,52 44.811,53 2.962,54 1.249,55 3.202,56 44.782,57 3.94,58 4.025,60 14.831,61 14.831,62 14.831,63 14.831,64 14.831,65 45.339,66 1,67 4.812,68 2.715,69 5.6}
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{0 CHEMBL2309006,1 2,4 1,6 3,7 3.722,8 1.438,10 7.831,11 7.831,12 1.275,13 3.756,14 2,15 0.982,16 107.303,17 1.039,18 2,19 25,20 15.019,21 2.062,22 33.429,23 1,24 22.317,25 1.925,26 1.287,27 4.369,29 5.287,30 5.287,31 8.287,32 5.287,33 3.63,34 1.218,35 4.88,36 1.163,37 1.442,38 3.086,39 307.921,41 0.28,42 2.223,43 1.271,44 1.181,45 3.843,46 3.234,47 3.623,48 3.08,49 22.498,50 7,51 1.593,52 65.008,53 3.134,54 1.427,55 3.622,56 64.967,57 4.166,58 4.718,60 19.686,61 19.686,62 19.686,63 19.686,64 19.686,65 65.351,66 0.88,67 5.244,68 2.916,69 5.77}
{0 CHEMBL2309609,1 2,2 2,4 1,5 1,6 4,7 3.829,8 1.632,10 8.415,11 8.415,12 1.55,13 3.86,15 1.269,16 117.954,17 1.316,18 1,19 32,20 18.325,21 2.677,22 44.101,23 2,24 30.079,25 2.38,26 1.553,27 4.367,29 5.285,30 5.285,31 8.285,32 5.285,33 4.035,34 1.382,35 5.167,36 1.96,37 1.642,38 3.413,39 369.693,40 1.826,41 0.226,42 2.856,43 1.577,44 1.32,45 3.639,46 3.467,47 3.7,48 3.319,49 41.589,50 8,51 1.856,52 81.073,53 3.375,54 1.603,55 3.687,56 81.12,57 4.432,58 4.875,59 1,60 25.135,61 25.135,62 25.135,63 25.135,64 25.135,65 81.873,66 0.75,67 5.485,68 3.151,69 5}
{0 CHEMBL231209,3 1,4 1,6 4,7 3.434,8 1.107,10 4.688,11 4.688,12 1.062,13 3.478,15 0.814,16 62.79,17 0.866,19 21,20 8.669,21 1.042,22 22.779,23 3,24 16.513,25 0.763,26 1.083,27 4.105,29 4.626,30 4.626,31 7.626,32 4.626,33 2.365,34 0.886,35 4.429,36 -0.304,37 1.069,38 2.741,39 199.943,41 0.272,42 1.182,43 1.111,44 0.821,45 3.474,46 2.965,47 3.238,48 2.868,49 26.123,50 7,51 1.394,52 44.744,53 2.939,54 1.181,55 3.226,56 44.735,57 3.867,58 4.025,60 14.831,61 14.831,62 14.831,63 14.831,64 14.831,65 45.308,66 1,67 4.717,68 2.717,69 5.6}
{0 CHEMBL2333365,2 1,5 1,6 3,7 3.72,8 1.404,10 5.933,11 5.933,12 1.252,13 3.712,15 0.909,17 0.975,18 3,19 23,20 9.811,21 1.297,22 22.377,23 3,24 20.498,25 1.072,26 1.26,27 4.108,29 4.731,30 4.731,31 7.731,32 4.731,33 2.849,34 1.162,35 4.78,36 0.176,37 1.374,38 2.996,39 267.079,40 1.568,41 0.292,42 1.365,43 1.239,44 1.088,45 3.951,46 3.212,47 3.6,48 3.064,49 32.273,50 9,51 1.641,52 52.994,53 3.146,54 1.426,55 3.642,56 53.125,57 4.101,58 4.234,59 1,60 17.196,61 17.196,62 17.196,63 17.196,64 17.196,65 53.403,66 1,67 5.053,68 2.907,69 5}
{0 CHEMBL234085,1 1,2 2,3 1,4 1,6 6,7 3.408,8 1.337,10 3.61,11 3.61,12 1.123,13 3.495,15 0.79,16 47.145,17 0.869,18 2,19 15,20 7.119,21 0.5,22 21.804,23 2,24 16.291,25 0.316,26 1.121,27 4.1,29 4.474,30 4.474,31 7.474,32 4.474,33 1.95,34 1.036,35 4.643,36 -0.841,37 1.284,38 1.92,39 157.178,40 3.925,41 0.387,42 0.772,43 1.09,44 0.935,45 3.688,46 3.104,47 3.195,48 2.844,49 16.253,50 7,51 1.396,52 37.373,53 2.903,54 1.421,55 3.18,56 37.352,57 3.858,58 3.892,59 2,60 12.26,61 12.26,62 12.26,63 12.26,64 12.26,65 38.783,66 1,67 4.92,68 2.591,69 5.6}
{0 CHEMBL243088,1 2,6 4,7 3.279,8 1.13,10 3.133,11 3.133,12 0.936,13 3.268,15 0.588,17 0.653,19 18,20 6.91,21 0.673,22 42.894,23 3,24 23.408,25 0.376,26 0.956,27 3.982,29 3.951,30 3.951,31 6.951,32 3.951,33 2,34 0.883,35 4.301,36 -0.766,37 1.129,38 2.384,39 151.81,41 0.343,42 0.82,43 0.926,44 0.838,45 3.307,46 2.967,47 3.066,48 2.709,49 20,50 7,51 1.122,52 37.873,53 2.779,54 1.132,55 3.024,56 37.961,57 3.77,58 3.784,60 12.878,61 12.878,62 12.878,63 12.878,64 12.878,65 38.423,66 1,67 4.606,68 2.505,69 6.1}
{0 CHEMBL244378,1 3,3 1,4 1,6 6,7 3.416,8 1.185,10 4.202,11 4.202,12 1.02,13 3.489,15 0.749,16 62.342,17 0.822,19 21,20 8.151,21 0.835,22 40.027,23 3,24 21.251,25 0.882,26 1.053,27 4.095,29 4.367,30 4.367,31 7.367,32 4.367,33 2.286,34 0.947,35 4.403,36 -0.066,37 1.186,38 2.473,39 175.729,41 0.285,42 1.258,43 1.101,44 0.881,45 3.623,46 3.025,47 3.238,48 2.805,49 22.515,50 8,51 1.28,52 42.97,53 2.877,54 1.163,55 3.215,56 43.016,57 3.84,58 3.97,60 14.366,61 14.366,62 14.366,63 14.366,64 14.366,65 43.496,66 1,67 4.666,68 2.637,69 5.6}
{0 CHEMBL24828,1 1,2 1,6 4,7 3.5,8 1.428,10 5.661,11 5.661,12 1.241,13 3.54,15 0.937,17 1.005,18 3,19 22,20 8.937,21 1.121,22 33.11,23 3,24 25.914,25 1.186,26 1.28,27 4.081,29 4.513,30 4.513,31 7.513,32 4.513,33 2.683,34 1.143,35 4.831,36 0.373,37 1.376,38 2.613,39 232.1,40 2.34,41 0.283,42 1.551,43 1.328,44 1.064,45 3.781,46 3.206,47 3.312,48 3.061,49 33.431,50 8,51 1.352,52 48.839,53 3.135,54 1.425,55 3.278,56 49.003,57 4.096,58 4.111,59 1,60 16.224,61 16.224,62 16.224,63 16.224,64 16.224,65 48.972,66 0.88,67 5.087,68 2.855,69 6.796}
{0 CHEMBL248757,2 1,6 7,7 3.653,8 1.421,9 1,10 4.66,11 4.66,12 1.238,13 3.713,14 2,15 0.989,16 76.01,17 1.036,18 3,19 25,20 9.347,21 1.601,22 46.934,23 2,24 32.403,25 1.431,26 1.217,27 3.982,28 1,29 4.067,30 4.067,31 7.067,32 4.067,33 2.946,34 1.145,35 4.697,36 0.911,37 1.405,38 2.564,39 239.642,41 0.284,42 1.983,43 1.129,44 1.086,45 4.277,46 3.246,47 3.486,48 3.074,49 30.906,50 12,51 1.509,52 50.799,53 3.133,54 1.305,55 3.495,56 50.774,57 4.052,58 4.111,60 17.264,61 17.264,62 17.264,63 17.264,64 17.264,65 52.297,66 0.75,67 4.965,68 2.864,69 5.6}
{0 CHEMBL249097,1 2,6 5,7 3.355,8 1.183,10 3.732,11 3.732,12 0.98,13 3.407,15 0.615,17 0.698,19 18,20 6.861,21 0.691,22 41.929,23 3,24 24.548,25 0.325,26 0.992,27 3.991,29 3.911,30 3.911,31 6.911,32 3.911,33 2,34 0.938,35 4.433,36 -0.86,37 1.178,38 2.514,39 157.982,41 0.335,42 0.787,43 1.027,44 0.869,45 3.695,46 3.053,47 3.139,48 2.717,49 21.456,50 7,51 1.184,52 39.702,53 2.806,54 1.18,55 3.099,56 39.783,57 3.85,58 3.829,60 13.345,61 13.345,62 13.345,63 13.345,64 13.345,65 40.278,66 1,67 4.694,68 2.53,69 8.699}
{0 CHEMBL249282,1 1,2 1,6 5,7 3.636,8 1.429,10 5.181,11 5.181,12 1.233,13 3.682,15 0.978,16 108.714,17 1.031,18 6,19 24,20 9.581,21 1.612,22 28.072,23 3,24 23.097,25 1.466,26 1.213,27 4.125,29 4.39,30 4.39,31 7.39,32 4.39,33 2.788,34 1.153,35 4.763,36 0.949,37 1.376,38 2.512,39 204.582,40 2.362,41 0.241,42 2,43 1.188,44 1.064,45 3.765,46 3.201,47 3.497,48 3.054,49 35.838,50 7,51 1.477,52 49.374,53 3.131,54 1.359,55 3.478,56 49.411,57 4.041,58 4.174,59 1,60 16.274,61 16.274,62 16.274,63 16.274,64 16.274,65 50.899,66 0.88,67 5.002,68 2.866,69 5.6}
{0 CHEMBL249697,1 1,6 5,7 3.312,8 1.166,9 1,10 2.338,11 2.338,12 0.956,13 3.391,14 2,15 0.537,16 28.063,17 0.662,18 2,19 13,20 6.165,21 -0.011,22 14.709,23 1,24 12.293,25 -0.204,26 0.985,27 4.201,29 4.874,30 4.874,31 7.874,32 4.874,33 1.478,34 0.836,35 4.411,36 -1.381,37 1.131,38 1.722,39 133.685,41 0.438,42 0.13,43 1.027,44 0.717,45 3.594,46 2.921,47 3.142,48 2.671,49 12.554,50 5,51 1.353,52 31.49,53 2.794,54 1.191,55 3.144,56 31.444,57 3.69,58 3.761,60 10.341,61 10.341,62 10.341,63 10.341,64 10.341,65 31.666,66 1,67 4.615,68 2.354,69 5}
{0 CHEMBL253969,6 5,7 3.657,8 1.433,10 5.225,11 5.225,12 1.278,13 3.724,14 1,15 0.979,16 219.972,17 1.03,18 5,19 16,20 9.186,21 1.348,22 38.283,23 3,24 30.806,25 1.591,26 1.311,27 3.97,29 4.173,30 4.173,31 7.173,32 4.173,33 2.81,34 1.169,35 4.857,36 0.618,37 1.449,38 2.534,39 255.843,40 2.407,41 0.292,42 1.618,43 1.266,44 1.121,45 3.86,46 3.22,47 3.478,48 3.025,49 41.84,50 12,51 1.507,52 49.77,53 3.093,54 1.389,55 3.487,56 50.077,57 4.133,58 4.06,59 1,60 16.772,61 16.772,62 16.772,63 16.772,64 16.772,65 49.924,66 0.88,67 5.156,68 2.793,69 6.5}
{0 CHEMBL255863,1 2,3 1,4 1,6 7,7 3.78,8 1.527,10 6.633,11 6.633,12 1.374,13 3.826,15 1.033,16 114.279,17 1.092,19 29,20 11.472,21 2.5,22 46.278,23 5,24 30.805,25 2.074,26 1.359,27 4.066,29 4.104,30 4.104,31 7.104,32 4.104,33 3.429,34 1.305,35 4.893,36 1.592,37 1.566,38 3.207,39 271.652,41 0.229,42 2.566,43 1.272,44 1.253,45 3.806,46 3.321,47 3.645,48 3.09,49 46.154,50 11,51 1.558,52 65.288,53 3.186,54 1.466,55 3.625,56 65.455,57 4.236,58 4.369,60 21.272,61 21.272,62 21.272,63 21.272,64 21.272,65 66.416,66 0.75,67 5.077,68 2.897,69 5}
{0 CHEMBL256835,1 1,6 4,7 3.616,8 1.368,10 4.536,11 4.536,12 1.197,13 3.671,15 0.852,16 72.698,17 0.923,19 23,20 8.367,21 0.899,22 11.476,23 4,24 14.422,25 0.866,26 1.2,27 4.088,29 4.34,30 4.34,31 7.34,32 4.34,33 2.33,34 1.153,35 4.705,36 -0.071,37 1.376,38 2.395,39 187.777,41 0.331,42 1.175,43 1.198,44 1.064,45 3.624,46 3.164,47 3.441,48 2.854,49 23.457,50 7,51 1.301,52 44.817,53 2.925,54 1.301,55 3.41,56 44.867,57 3.988,58 4.06,60 14.746,61 14.746,62 14.746,63 14.746,64 14.746,65 45.287,66 1,67 5.013,68 2.715,69 5.6}
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{0 CHEMBL259922,1 2,2 4,3 1,4 1,6 7,7 3.797,8 1.397,10 3.998,11 3.998,12 1.212,13 3.829,14 1,15 0.894,16 154.379,17 0.96,19 26,20 10.064,21 2.118,22 32.402,23 4,24 23.925,25 1.698,26 1.199,27 4.125,29 4.615,30 4.615,31 7.615,32 4.615,33 3,34 1.073,35 4.621,36 1.069,37 1.407,38 2.895,39 220.664,41 0.25,42 2.197,43 1.182,44 1.024,45 3.787,46 3.131,47 3.639,48 2.972,49 31.95,50 9,51 1.456,52 52.631,53 3.051,54 1.261,55 3.601,56 52.643,57 4.021,58 4.22,60 17.308,61 17.308,62 17.308,63 17.308,64 17.308,65 53.185,66 0.75,67 4.832,68 2.722,69 5.6}
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{0 CHEMBL274064,1 1,6 6,7 3.59,8 1.28,10 3.543,11 3.543,12 1.106,13 3.662,15 0.821,16 65.41,17 0.886,18 2,19 23,20 7.993,21 0.744,22 20.662,23 4,24 17.439,25 0.527,26 1.128,27 4.085,29 4.34,30 4.34,31 7.34,32 4.34,33 2.201,34 0.947,35 4.622,36 -0.502,37 1.278,38 2.208,39 173.289,41 0.34,42 0.945,43 1.181,44 0.847,45 3.748,46 3.088,47 3.408,48 2.854,49 19.654,50 7,51 1.231,52 42.078,53 2.925,54 1.243,55 3.382,56 42.171,57 3.906,58 3.989,60 13.852,61 13.852,62 13.852,63 13.852,64 13.852,65 42.459,66 1,67 4.943,68 2.715,69 5.6}
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{0 CHEMBL288441,1 1,2 1,6 5,7 3.62,8 1.501,10 5.696,11 5.696,12 1.429,13 3.661,15 1.064,17 1.162,18 6,19 22,20 10.596,21 1.819,22 46.674,23 3,24 34.549,25 1.595,26 1.455,27 4.102,29 4.576,30 4.576,31 7.576,32 4.576,33 3.093,34 1.181,35 5.013,36 0.968,37 1.481,38 2.643,39 263.019,40 4.805,41 0.269,42 2,43 1.513,44 1.108,45 3.641,46 3.303,47 3.486,48 3.19,49 47.741,50 10,51 1.529,52 57.166,53 3.282,54 1.542,55 3.468,56 57.342,57 4.273,58 4.29,59 2,60 19.034,61 19.034,62 19.034,63 19.034,64 19.034,65 58.42,66 0.88,67 5.227,68 2.94,69 5}
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{0 CHEMBL300138,1 2,2 1,3 2,4 2,6 5,7 3.782,8 1.535,10 6.187,11 6.187,12 1.492,13 3.822,15 1.213,16 243.269,17 1.26,18 3,19 35,20 14.368,21 2.528,22 30.58,23 5,24 25.266,25 2.167,26 1.494,27 4.212,29 4.717,30 4.717,31 7.717,32 4.717,33 3.584,34 1.299,35 5.057,36 1.709,37 1.594,38 2.846,39 289.671,40 2.454,41 0.211,42 2.655,43 1.506,44 1.245,45 3.666,46 3.446,47 3.658,48 3.17,49 45.945,50 7,51 1.755,52 69.375,53 3.235,54 1.513,55 3.645,56 69.338,57 4.333,58 4.575,59 1,60 22.269,61 22.269,62 22.269,63 22.269,64 22.269,65 70.136,66 0.75,67 5.356,68 3.023,69 5}
{0 CHEMBL306380,1 1,6 5,7 3.272,8 1.308,10 3.275,11 3.275,12 1.156,13 3.35,15 0.804,16 39.995,17 0.886,19 15,20 6.533,22 13.971,23 2,24 13.493,26 1.144,27 4.139,29 4.75,30 4.75,31 7.75,32 4.75,33 2,34 0.934,35 4.501,36 -1.096,37 1.239,38 2.219,39 149.963,41 0.431,42 0.209,43 1.181,44 0.804,45 3.537,46 3.009,47 3.102,48 2.874,49 13.932,50 5,51 1.206,52 35.704,53 3.009,54 1.221,55 3.096,56 35.695,57 3.78,58 3.85,60 11.344,61 11.344,62 11.344,63 11.344,64 11.344,65 36.44,66 1,67 4.7,68 2.57,69 8.1}
{0 CHEMBL316264,1 1,6 3,7 3.596,8 1.107,10 3.52,11 3.52,12 1.062,13 3.653,15 0.821,16 66.493,17 0.886,19 23,20 7.648,21 0.755,22 1.325,23 4,24 3.255,25 0.679,26 1.107,27 4.088,29 4.3,30 4.3,31 7.3,32 4.3,33 2.223,34 0.886,35 4.347,36 -0.293,37 1.062,38 2.485,39 170.176,41 0.326,42 1.099,43 1.181,44 0.821,45 2.906,46 2.925,47 3.441,48 2.854,49 21.28,50 5,51 1.239,52 42.072,53 2.925,54 1.181,55 3.413,56 42.223,57 3.767,58 3.97,60 13.846,61 13.846,62 13.846,63 13.846,64 13.846,65 42.715,66 0.88,67 4.632,68 2.715,69 5.7}
{0 CHEMBL31965,1 1,2 1,6 5,7 3.643,8 1.429,10 5.516,11 5.516,12 1.286,13 3.683,14 1,15 0.983,17 1.041,18 6,19 22,20 9.491,21 1.723,22 45.905,23 3,24 31.688,25 1.503,26 1.276,27 4.085,29 4.514,30 4.514,31 7.514,32 4.514,33 2.905,34 1.153,35 4.89,36 0.716,37 1.376,38 2.647,39 235.802,40 2.334,41 0.271,42 2,43 1.27,44 1.064,45 4.002,46 3.206,47 3.481,48 3.111,49 43.765,50 10,51 1.53,52 53.92,53 3.185,54 1.445,55 3.462,56 54.075,57 4.189,58 4.174,59 1,60 18.231,61 18.231,62 18.231,63 18.231,64 18.231,65 54.543,66 0.88,67 5.173,68 2.91,69 5.69}
{0 CHEMBL340921,1 1,2 1,4 1,6 3,7 3.561,8 1.167,10 4.601,11 4.601,12 1.062,13 3.593,15 0.821,17 0.886,19 22,20 9.159,21 1.032,22 25.696,23 3,24 18.125,25 0.789,26 1.107,27 4.079,29 4.231,30 4.231,31 7.231,32 4.231,33 2.565,34 0.967,35 4.507,36 -0.259,37 1.195,38 2.66,39 194.476,40 1.76,41 0.337,42 1.18,43 1.151,44 0.935,45 3.724,46 3.08,47 3.439,48 2.854,49 24.286,50 6,51 1.475,52 47.229,53 2.925,54 1.181,55 3.425,56 47.293,57 3.923,58 4.143,59 1,60 15.272,61 15.272,62 15.272,63 15.272,64 15.272,65 48.363,66 1,67 4.782,68 2.715,69 5.6}
{0 CHEMBL363648,6 3,7 3.68,8 1.289,10 4.086,11 4.086,12 1.089,13 3.723,15 0.914,16 79.97,17 0.962,19 23,20 8.86,21 1.182,22 13.633,23 4,24 13.583,25 1.301,26 1.159,27 4.048,29 4.269,30 4.269,31 7.269,32 4.269,33 2.674,34 1.109,35 4.629,36 0.391,37 1.28,38 2.655,39 209.65,41 0.296,42 1.492,43 1.181,44 1.055,45 3.407,46 3.214,47 3.573,48 2.854,49 28.128,50 5,51 1.537,52 47.618,53 2.925,54 1.277,55 3.602,56 47.56,57 3.996,58 4.078,60 15.781,61 15.781,62 15.781,63 15.781,64 15.781,65 48.073,66 0.88,67 4.865,68 2.715,69 6.2}
{0 CHEMBL371206,6 5,7 3.458,8 1.287,10 5.093,11 5.093,12 1.262,13 3.512,15 0.821,16 68.307,17 0.894,19 21,20 9.662,21 1.098,22 30.547,23 3,24 22.161,25 0.778,26 1.257,27 4.105,29 4.703,30 4.703,31 7.703,32 4.703,33 2.445,34 1.023,35 4.652,36 -0.276,37 1.265,38 2.769,39 215.535,41 0.272,42 1.188,43 1.181,44 0.952,45 3.745,46 3.124,47 3.26,48 2.988,49 28.385,50 7,51 1.495,52 48.11,53 3.102,54 1.289,55 3.25,56 48.05,57 4.013,58 4.111,60 15.821,61 15.821,62 15.821,63 15.821,64 15.821,65 48.715,66 1,67 4.827,68 2.739,69 5.6}
{0 CHEMBL377300,1 2,3 1,4 1,6 4,7 3.505,8 1.233,10 5.129,11 5.129,12 1.172,13 3.546,14 1,15 0.844,16 114.081,17 0.919,18 1,19 18,20 8.849,21 0.876,22 17.207,23 2,24 16.375,25 0.635,26 1.205,27 4.156,29 4.663,30 4.663,31 7.663,32 4.663,33 2.351,34 0.989,35 4.641,36 -0.352,37 1.234,38 2.545,39 201.614,41 0.309,42 1.073,43 1.239,44 0.926,45 4.102,46 3.06,47 3.365,48 2.951,49 23.61,50 8,51 1.547,52 45.999,53 3.025,54 1.263,55 3.359,56 45.947,57 3.969,58 4.111,60 14.794,61 14.794,62 14.794,63 14.794,64 14.794,65 46.328,66 1,67 4.828,68 2.736,69 5}
{0 CHEMBL377383,2 2,6 3,7 3.485,8 1.111,10 3.785,11 3.785,12 1.062,13 3.546,14 1,15 0.756,17 0.829,18 2,19 12,20 6.124,21 0.5,22 18.596,23 2,24 18.149,25 0.167,26 1.107,27 4.082,29 4.66,30 4.66,31 7.66,32 4.66,33 2,34 0.886,35 4.512,36 -0.916,37 1.117,38 2.333,39 211.353,41 0.405,42 0.965,43 1.06,44 0.821,45 3.957,46 2.984,47 3.271,48 2.854,49 22.893,50 9,51 1.392,52 38.833,53 2.925,54 1.18,55 3.271,56 38.896,57 3.86,58 3.807,60 12.735,61 12.735,62 12.735,63 12.735,64 12.735,65 38.917,66 1,67 4.744,68 2.686,69 5.6}
{0 CHEMBL377408,6 5,7 3.498,8 1.242,10 3.383,11 3.383,12 1.029,13 3.552,14 1,15 0.693,17 0.769,18 2,19 12,20 7.086,21 0.935,22 17.182,23 2,24 18.249,25 0.536,26 1.033,27 4.077,29 4.704,30 4.704,31 7.704,32 4.704,33 2,34 0.898,35 4.489,36 -0.555,37 1.265,38 2.15,39 206.841,41 0.431,42 1,43 1.081,44 0.819,45 4.113,46 3.106,47 3.301,48 2.844,49 21.692,50 10,51 1.396,52 39.956,53 2.896,54 1.153,55 3.283,56 40.007,57 3.869,58 3.871,60 13.198,61 13.198,62 13.198,63 13.198,64 13.198,65 41.214,66 0.88,67 4.729,68 2.612,69 5.6}
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{0 CHEMBL379218,1 1,6 4,7 3.574,8 1.243,10 4.156,11 4.156,12 1.134,13 3.639,14 1,15 0.821,16 66.035,17 0.886,18 1,19 21,20 8.13,21 1.01,22 9.41,23 3,24 11.017,25 0.786,26 1.143,27 4.123,29 4.51,30 4.51,31 7.51,32 4.51,33 2.514,34 0.965,35 4.649,36 -0.217,37 1.222,38 2.357,39 175.176,41 0.269,42 1.053,43 1.181,44 0.894,45 3.587,46 3.062,47 3.407,48 2.854,49 26.617,50 5,51 1.484,52 44.634,53 2.939,54 1.231,55 3.407,56 44.601,57 3.988,58 3.989,60 14.842,61 14.842,62 14.842,63 14.842,64 14.842,65 45.076,66 1,67 4.921,68 2.715,69 5}
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{0 CHEMBL384304,6 5,7 3.658,8 1.362,10 5.123,11 5.123,12 1.283,13 3.68,15 0.856,17 0.94,18 2,19 18,20 8.673,21 1,22 46.697,23 3,24 28.462,25 0.919,26 1.26,27 4.045,29 4.51,30 4.51,31 7.51,32 4.51,33 2.655,34 1.108,35 4.777,36 0.042,37 1.375,38 2.497,39 252.213,40 1.392,41 0.328,42 1.301,43 1.188,44 1.064,45 4.023,46 3.206,47 3.507,48 3.026,49 31.387,50 12,51 1.568,52 48.177,53 3.126,54 1.324,55 3.544,56 48.197,57 4.056,58 4.111,59 1,60 15.638,61 15.638,62 15.638,63 15.638,64 15.638,65 48.236,66 0.88,67 5.061,68 2.768,69 5}
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{0 CHEMBL398951,1 1,2 1,6 5,7 3.66,8 1.429,10 5.182,11 5.182,12 1.376,13 3.707,15 1.064,16 123.648,17 1.145,18 6,19 24,20 9.928,21 1.889,22 29.046,23 3,24 24.866,25 1.73,26 1.425,27 4.126,29 4.39,30 4.39,31 7.39,32 4.39,33 3.036,34 1.153,35 4.88,36 0.955,37 1.411,38 2.521,39 212.527,40 2.457,41 0.223,42 2,43 1.359,44 1.087,45 3.706,46 3.206,47 3.509,48 3.111,49 42.918,50 7,51 1.516,52 51.939,53 3.187,54 1.458,55 3.489,56 51.968,57 4.137,58 4.205,59 1,60 17.274,61 17.274,62 17.274,63 17.274,64 17.274,65 53.431,66 0.88,67 5.148,68 2.91,69 5.6}
{0 CHEMBL402846,1 1,2 1,6 6,7 3.46,8 1.389,10 5.333,11 5.333,12 1.105,13 3.517,14 1,15 0.85,16 67.94,17 0.91,19 21,20 9.281,21 1,22 27.095,23 3,24 20.429,25 0.984,26 1.119,27 4.136,29 4.708,30 4.708,31 7.708,32 4.708,33 2.444,34 1.074,35 4.63,36 0.024,37 1.381,38 2.729,39 201.74,41 0.272,42 1.347,43 1.181,44 0.983,45 3.925,46 3.241,47 3.245,48 2.919,49 28.088,50 8,51 1.374,52 48.3,53 2.99,54 1.343,55 3.205,56 48.303,57 3.993,58 4.127,60 15.776,61 15.776,62 15.776,63 15.776,64 15.776,65 48.849,66 1,67 4.851,68 2.756,69 5.6}
{0 CHEMBL404367,1 1,2 1,6 6,7 3.46,8 1.391,10 4.942,11 4.942,12 1.105,13 3.517,14 1,15 0.85,16 65.027,17 0.91,19 21,20 9.128,21 0.917,22 29.218,23 3,24 20.473,25 0.78,26 1.119,27 4.136,29 4.708,30 4.708,31 7.708,32 4.708,33 2.431,34 1.074,35 4.623,36 -0.281,37 1.379,38 2.719,39 189.985,41 0.273,42 1.184,43 1.181,44 0.983,45 3.736,46 3.228,47 3.244,48 2.919,49 27.143,50 7,51 1.374,52 46.582,53 2.99,54 1.343,55 3.205,56 46.562,57 3.984,58 4.078,60 15.315,61 15.315,62 15.315,63 15.315,64 15.315,65 47.132,66 1,67 4.839,68 2.756,69 5.6}
{0 CHEMBL411903,6 7,7 3.525,8 1.284,10 5.473,11 5.473,12 1.223,13 3.589,14 2,15 0.821,17 0.886,18 1,19 23,20 9.524,21 1.395,22 42.357,23 3,24 29.523,25 1.187,26 1.211,27 4.015,29 4.09,30 4.09,31 7.09,32 4.09,33 2.873,34 1.005,35 4.718,36 0.302,37 1.317,38 2.664,39 233.493,41 0.257,42 1.476,43 1.161,44 0.937,45 4.124,46 3.192,47 3.346,48 2.92,49 35.64,50 12,51 1.495,52 53.927,53 3.03,54 1.181,55 3.334,56 54.137,57 4.06,58 4.19,60 17.761,61 17.761,62 17.761,63 17.761,64 17.761,65 54.734,66 1,67 4.998,68 2.715,69 5.6}
{0 CHEMBL412142,1 1,3 1,4 1,6 8,7 3.694,8 1.285,10 5.779,11 5.779,12 1.107,13 3.756,15 0.837,16 96.051,17 0.876,18 2,19 23,20 9.419,21 1.66,22 29.273,23 4,24 22.72,25 1.571,26 1.109,27 4.048,29 4.273,30 4.273,31 7.273,32 4.273,33 2.853,34 1.079,35 4.669,36 1.027,37 1.304,38 2.885,39 228.513,41 0.267,42 2.185,43 1.106,44 1.022,45 4.044,46 3.167,47 3.529,48 2.933,49 37.266,50 10,51 1.488,52 51.593,53 2.985,54 1.233,55 3.506,56 51.806,57 4.031,58 4.143,60 17.219,61 17.219,62 17.219,63 17.219,64 17.219,65 53.262,66 0.88,67 4.915,68 2.832,69 5.6}
{0 CHEMBL41783,1 1,2 1,6 6,7 3.499,8 1.292,10 4.202,11 4.202,12 1.087,13 3.569,14 2,15 0.804,16 60.508,17 0.917,18 1,19 15,20 7.359,21 0.874,22 18.855,23 2,24 15.19,25 0.647,26 1.091,27 4.1,29 4.527,30 4.527,31 7.527,32 4.527,33 2.255,34 0.934,35 4.608,36 -0.439,37 1.239,38 2.204,39 177.639,40 1.994,41 0.343,42 0.906,43 1.089,44 0.862,45 3.891,46 3.009,47 3.267,48 2.874,49 25.929,50 9,51 1.376,52 41.619,53 2.981,54 1.268,55 3.246,56 41.611,57 3.904,58 3.932,59 1,60 13.793,61 13.793,62 13.793,63 13.793,64 13.793,65 42.05,66 1,67 4.833,68 2.57,69 5.6}
{0 CHEMBL428690,6 1,7 3.456,8 1.15,10 5.502,11 5.502,12 1.037,13 3.474,14 1,15 0.824,17 0.868,18 2,19 22,20 9.774,21 0.876,22 26.694,23 3,24 20.975,25 0.696,26 1.072,27 4.063,28 1,29 4.38,30 4.38,31 7.38,32 4.38,33 2.523,34 0.911,35 4.657,36 -0.275,37 1.173,38 2.499,39 214.054,40 1.992,41 0.344,42 1.159,43 1.124,44 0.888,45 3.904,46 3.011,47 3.335,48 2.88,49 21.786,50 7,51 1.383,52 47.178,53 2.922,54 1.176,55 3.323,56 47.407,57 3.998,58 4.174,59 1,60 15.261,61 15.261,62 15.261,63 15.261,64 15.261,65 47.97,66 1,67 5.01,68 2.765,69 5}
{0 CHEMBL440084,1 1,4 2,6 4,7 3.654,8 1.299,10 4.219,11 4.219,12 1.062,13 3.699,14 1,15 0.821,16 145.328,17 0.886,19 26,20 9.587,21 1.628,22 10.192,23 4,24 9.425,25 1.718,26 1.107,27 4.096,28 1,29 4.316,30 4.316,31 7.316,32 4.316,33 3.034,34 1.033,35 4.545,36 1.097,37 1.33,38 2.62,39 208.796,41 0.273,42 2.156,43 1.181,44 0.969,45 3.474,46 2.925,47 3.506,48 2.853,49 27.581,50 7,51 1.329,52 50.49,53 2.906,54 1.212,55 3.48,56 50.439,57 3.957,58 4.19,60 16.319,61 16.319,62 16.319,63 16.319,64 16.319,65 50.891,66 0.88,67 4.749,68 2.715,69 5}
{0 CHEMBL445813,1 1,3 1,4 1,6 5,7 3.321,8 1.242,10 3.177,11 3.177,12 0.975,13 3.378,14 2,15 0.827,16 74.159,17 0.849,18 2,19 17,20 7.695,21 1,22 37.709,23 3,24 24.567,25 0.557,26 1.004,27 3.994,29 4.113,30 4.113,31 7.113,32 4.113,33 2.154,34 0.999,35 4.548,36 -0.445,37 1.254,38 2.298,39 185.788,41 0.35,42 1,43 1,44 0.91,45 3.933,46 2.981,47 3.1,48 2.901,49 20.576,50 9,51 1.258,52 39.777,53 2.918,54 1.193,55 3.06,56 40.107,57 3.859,58 3.892,60 13.306,61 13.306,62 13.306,63 13.306,64 13.306,65 40.318,66 1,67 4.897,68 2.652,69 5}
{0 CHEMBL450519,1 1,3 1,4 1,6 5,7 3.339,8 1.227,10 3.583,11 3.583,12 1.133,13 3.423,15 0.718,16 41.52,17 0.833,18 2,19 21,20 7.849,21 0.622,22 21.163,23 3,24 17.968,25 0.332,26 1.13,27 4.158,28 1,29 4.732,30 4.732,31 7.732,32 4.732,33 2.124,34 0.883,35 4.571,36 -0.692,37 1.229,38 2.175,39 163.153,41 0.357,42 0.773,43 1.136,44 0.839,45 3.85,46 3.041,47 3.134,48 2.914,49 16.291,50 6,51 1.324,52 39.524,53 2.969,54 1.165,55 3.104,56 39.587,57 3.862,58 3.97,60 12.87,61 12.87,62 12.87,63 12.87,64 12.87,65 39.709,66 1,67 4.901,68 2.631,69 8.699}
{0 CHEMBL450786,1 1,5 1,6 4,7 3.877,8 1.732,10 6.92,11 6.92,12 1.619,13 3.913,15 1.428,16 471.68,17 1.485,18 5,19 30,20 14.553,21 2.382,22 41.308,23 5,24 34.756,25 2.377,26 1.651,27 4.157,29 4.726,30 4.726,31 7.726,32 4.726,33 3.823,34 1.503,35 5.2,36 1.708,37 1.704,38 3.014,39 376.432,40 4.467,41 0.21,42 2.696,43 1.581,44 1.495,45 3.861,46 3.364,47 3.741,48 3.199,49 55.549,50 11,51 1.642,52 73.906,53 3.291,54 1.762,55 3.742,56 74.255,57 4.444,58 4.605,59 2,60 23.629,61 23.629,62 23.629,63 23.629,64 23.629,65 74.329,66 0.75,67 5.513,68 2.996,69 5}
{0 CHEMBL451401,1 1,3 1,4 1,6 3,7 2.726,8 0.227,10 -1.452,11 -1.452,12 0.044,13 2.817,16 19.508,19 9,20 3.645,22 2.351,23 1,24 2.824,26 0.131,27 4.096,29 4.491,30 4.491,31 7.491,32 4.491,35 3.642,37 0.154,38 0.639,39 79.241,41 0.611,43 0.221,45 3.326,46 2.144,47 2.504,48 1.498,49 4.167,50 4,51 0.89,52 19.575,53 1.709,54 0.317,55 2.48,56 19.546,57 3.1,58 3.219,60 6.405,61 6.405,62 6.405,63 6.405,64 6.405,65 19.846,66 1,67 3.811,68 1.002,69 4.6}
{0 CHEMBL458997,1 2,6 6,7 3.674,8 1.429,10 4.521,11 4.521,12 1.299,13 3.715,14 1,15 0.971,17 1.036,18 4,19 24,20 9.66,21 1.588,22 58.098,23 4,24 36.264,25 1.461,26 1.281,27 4.01,29 4.01,30 4.01,31 7.01,32 4.01,33 2.977,34 1.153,35 4.87,36 0.668,37 1.376,38 2.646,39 232.149,40 2.251,41 0.273,42 1.783,43 1.216,44 1.064,45 3.884,46 3.206,47 3.49,48 3.111,49 36.132,50 10,51 1.569,52 52.694,53 3.195,54 1.513,55 3.478,56 52.771,57 4.174,58 4.19,59 1,60 17.646,61 17.646,62 17.646,63 17.646,64 17.646,65 52.881,66 0.88,67 5.085,68 2.91,69 7.3}
{0 CHEMBL462120,6 2,7 3.072,8 0.977,10 2.583,11 2.583,12 0.76,13 3.136,14 1,15 0.487,17 0.535,19 16,20 6.011,21 0.006,22 12.133,23 2,24 10.664,25 -0.011,26 0.74,27 4.048,29 4.267,30 4.267,31 7.267,32 4.267,33 1.555,34 0.747,35 4.08,36 -1.5,37 0.939,38 1.885,39 137.165,41 0.445,42 0.493,43 0.687,44 0.668,45 3.082,46 2.817,47 2.907,48 2.642,49 10.294,50 4,51 0.955,52 31.489,53 2.663,54 1.036,55 2.895,56 31.638,57 3.523,58 3.738,60 10.356,61 10.356,62 10.356,63 10.356,64 10.356,65 32.1,66 1,67 4.393,68 2.396,69 5.6}
{0 CHEMBL464552,1 3,2 2,3 1,4 1,6 8,7 3.68,8 1.677,10 6.606,11 6.606,12 1.525,13 3.746,14 1,15 1.164,16 181.801,17 1.225,18 2,19 24,20 12.892,21 2.234,22 63.795,23 3,24 39.545,25 2.069,26 1.539,27 4.121,29 4.503,30 4.503,31 7.503,32 4.503,33 3.699,34 1.385,35 5.055,36 1.231,37 1.675,38 2.881,39 279.76,40 3.608,41 0.25,42 2.314,43 1.57,44 1.307,45 4.121,46 3.416,47 3.48,48 3.187,49 42.312,50 12,51 1.571,52 64.522,53 3.262,54 1.636,55 3.456,56 64.527,57 4.338,58 4.454,59 2,60 21.102,61 21.102,62 21.102,63 21.102,64 21.102,65 65.002,66 0.63,67 5.235,68 2.965,69 5}
{0 CHEMBL468280,1 1,6 2,7 3.122,8 0.867,10 2.76,11 2.76,12 0.591,13 3.102,14 1,15 0.163,16 30.046,17 0.226,18 1,19 13,20 6.648,21 -0.171,22 25.798,23 1,24 16.893,25 -0.323,26 0.562,27 4.064,29 4.37,30 4.37,31 7.37,32 4.37,33 1.488,34 0.483,35 4.083,36 -1.573,37 0.823,38 1.925,39 162.084,40 1.626,41 0.47,42 0.051,43 0.455,44 0.405,45 4.103,46 2.536,47 2.942,48 2.35,49 9.873,50 7,51 1.005,52 32.374,53 2.435,54 0.699,55 2.912,56 32.586,57 3.488,58 3.871,59 1,60 10.228,61 10.228,62 10.228,63 10.228,64 10.228,65 33.026,66 1,67 4.325,68 1.965,69 5.6}
{0 CHEMBL474432,1 1,2 2,6 2,7 3.484,8 1.396,10 5.325,11 5.325,12 1.418,13 3.512,15 1.052,16 164.564,17 1.09,18 1,19 20,20 10.374,21 1.629,22 28.948,23 3,24 26.266,25 1.442,26 1.34,27 4.14,29 4.602,30 4.602,31 7.602,32 4.602,33 2.956,34 1.161,35 4.698,36 0.667,37 1.441,38 2.858,39 268.951,41 0.29,42 1.793,43 1.205,44 1.102,45 3.926,46 3.248,47 3.28,48 3.146,49 33.19,50 11,51 1.504,52 55.019,53 3.18,54 1.365,55 3.238,56 55.115,57 4.065,58 4.277,60 17.636,61 17.636,62 17.636,63 17.636,64 17.636,65 55.683,66 0.88,67 4.766,68 2.919,69 5.6}
{0 CHEMBL475251,1 2,2 1,6 6,7 3.614,8 1.498,10 6.118,11 6.118,12 1.36,13 3.659,14 1,15 0.975,17 1.048,19 22,20 10.285,21 1.525,22 67.244,23 3,24 39.73,25 1.27,26 1.341,27 4.006,29 4.111,30 4.111,31 7.111,32 4.111,33 2.971,34 1.159,35 4.852,36 0.452,37 1.479,38 2.782,39 249.215,41 0.27,42 1.576,43 1.417,44 1.071,45 3.728,46 3.282,47 3.478,48 3.131,49 36.18,50 12,51 1.537,52 55.24,53 3.211,54 1.541,55 3.472,56 55.078,57 4.181,58 4.277,60 18.052,61 18.052,62 18.052,63 18.052,64 18.052,65 55.607,66 0.75,67 5.003,68 2.888,69 6.322}
{0 CHEMBL477772,1 3,2 3,6 7,7 3.642,8 1.471,10 5.891,11 5.891,12 1.374,13 3.646,15 1,16 77.894,17 1.107,19 21,20 9.589,21 1.053,22 41.389,23 3,24 26.988,25 1.198,26 1.43,27 4.133,29 4.71,30 4.71,31 7.71,32 4.71,33 2.859,34 1.212,35 4.794,36 0.292,37 1.434,38 2.824,39 261.213,40 1.932,41 0.277,42 1.509,43 1.277,44 1.13,45 3.877,46 3.275,47 3.474,48 3.101,49 30.508,50 10,51 1.504,52 52.377,53 3.209,54 1.517,55 3.547,56 52.426,57 4.104,58 4.205,59 1,60 16.736,61 16.736,62 16.736,63 16.736,64 16.736,65 52.702,66 1,67 4.955,68 2.871,69 5.638}
{0 CHEMBL481491,1 1,6 3,7 3.386,8 1.272,10 4.288,11 4.288,12 1.106,13 3.443,15 0.857,16 140.348,17 0.91,18 1,19 20,20 9.186,21 0.922,22 21.755,23 3,24 19.58,25 1.364,26 1.122,27 4.133,29 4.546,30 4.546,31 7.546,32 4.546,33 2.737,34 1.069,35 4.534,36 0.609,37 1.252,38 2.483,39 236.755,41 0.299,42 1.777,43 1.089,44 1.02,45 3.74,46 3.185,47 3.217,48 2.893,49 25.486,50 9,51 1.504,52 49.305,53 2.958,54 1.205,55 3.195,56 49.5,57 3.911,58 4.143,60 15.81,61 15.81,62 15.81,63 15.81,64 15.81,65 50.247,66 1,67 4.692,68 2.756,69 5.6}
{0 CHEMBL482767,2 1,3 1,4 1,6 6,7 3.491,8 1.214,10 4.476,11 4.476,12 1.015,13 3.557,15 0.824,16 152.453,17 0.867,18 1,19 20,20 8.591,21 1.18,22 35.147,23 3,24 23.036,25 0.884,26 1.055,27 4.043,29 4.457,30 4.457,31 7.457,32 4.457,33 2.577,34 1.021,35 4.502,36 -0.02,37 1.183,38 2.469,39 231.61,41 0.246,42 1.207,43 1.057,44 0.993,45 4.098,46 2.954,47 3.285,48 2.869,49 29.837,50 10,51 1.39,52 45.436,53 2.921,54 1.134,55 3.28,56 45.52,57 3.9,58 3.989,60 15.364,61 15.364,62 15.364,63 15.364,64 15.364,65 46.092,66 1,67 4.719,68 2.701,69 5.6}
{0 CHEMBL482967,1 1,6 6,7 3.629,8 1.256,10 4.409,11 4.409,12 1.062,13 3.678,15 0.821,16 73.373,17 0.886,18 4,19 23,20 8.168,21 0.761,22 38.25,23 4,24 25.529,25 0.489,26 1.107,27 4,28 1,29 4.146,30 4.146,31 7.146,32 4.146,33 2.352,34 1.008,35 4.646,36 -0.546,37 1.266,38 2.179,39 197.362,40 2.321,41 0.277,42 0.889,43 1.181,44 0.944,45 3.77,46 3.15,47 3.47,48 2.854,49 24.982,50 8,51 1.393,52 43.366,53 2.925,54 1.204,55 3.464,56 43.394,57 3.952,58 3.97,59 1,60 14.359,61 14.359,62 14.359,63 14.359,64 14.359,65 43.678,66 1,67 4.853,68 2.715,69 5.6}
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{0 CHEMBL483321,1 1,2 1,6 5,7 3.712,8 1.464,10 5.797,11 5.797,12 1.419,13 3.761,14 1,15 1.121,17 1.196,18 2,19 22,20 9.825,21 1.79,22 35.961,23 3,24 26.984,25 1.869,26 1.453,27 4.087,29 4.47,30 4.47,31 7.47,32 4.47,33 3.081,34 1.201,35 4.881,36 1.103,37 1.431,38 2.826,39 221.519,41 0.247,42 2.151,43 1.48,44 1.132,45 3.924,46 3.286,47 3.539,48 3.179,49 52.617,50 8,51 1.591,52 55.313,53 3.258,54 1.52,55 3.527,56 55.214,57 4.219,58 4.174,60 18.757,61 18.757,62 18.757,63 18.757,64 18.757,65 55.955,66 0.88,67 5.066,68 2.999,69 5}
{0 CHEMBL484390,1 1,2 2,6 5,7 3.672,8 1.44,10 5.369,11 5.369,12 1.376,13 3.738,15 1.064,16 82.897,17 1.153,18 1,19 21,20 10.064,21 2,22 26.047,23 3,24 23.435,25 1.837,26 1.429,27 4.141,29 4.597,30 4.597,31 7.597,32 4.597,33 3.131,34 1.22,35 5.007,36 1,37 1.442,38 2.579,39 223.671,40 1.746,41 0.278,42 2.155,43 1.473,44 1.175,45 3.484,46 3.307,47 3.52,48 3.111,49 41.336,50 7,51 1.639,52 54.853,53 3.206,54 1.513,55 3.53,56 54.892,57 4.245,58 4.248,59 1,60 18.132,61 18.132,62 18.132,63 18.132,64 18.132,65 56.45,66 1,67 5.353,68 2.91,69 5.6}
{0 CHEMBL491473,1 1,6 4,7 3.579,8 1.573,10 5.204,11 5.204,12 1.382,13 3.622,15 1.059,16 174.036,17 1.126,18 4,19 24,20 10.724,21 1.618,22 29.075,23 3,24 25.689,25 1.559,26 1.394,27 4.143,29 4.569,30 4.569,31 7.569,32 4.569,33 3,34 1.289,35 4.948,36 0.757,37 1.559,38 2.545,39 235.833,40 2.461,41 0.237,42 1.847,43 1.369,44 1.216,45 3.677,46 3.24,47 3.405,48 3.024,49 40.777,50 8,51 1.547,52 55.254,53 3.088,54 1.589,55 3.392,56 55.235,57 4.211,58 4.277,59 1,60 18.236,61 18.236,62 18.236,63 18.236,64 18.236,65 54.966,66 0.88,67 5.18,68 2.834,69 6.252}
{0 CHEMBL494089,1 1,6 7,7 3.687,8 1.392,10 4.632,11 4.632,12 1.328,13 3.728,14 2,15 0.918,16 141.873,17 1.021,18 4,19 20,20 9.406,21 1.537,22 27.057,23 3,24 25.311,25 1.53,26 1.357,27 4.147,29 4.775,30 4.775,31 7.775,32 4.775,33 2.957,34 1.093,35 4.917,36 0.711,37 1.477,38 2.501,39 219.956,41 0.313,42 1.813,43 1.384,44 1.035,45 3.817,46 3.209,47 3.523,48 3.058,49 33.205,50 10,51 1.55,52 51.398,53 3.154,54 1.417,55 3.485,56 51.404,57 4.177,58 4.174,60 16.736,61 16.736,62 16.736,63 16.736,64 16.736,65 53.082,66 1,67 5.18,68 2.913,69 5}
{0 CHEMBL497151,6 3,7 3.242,8 1.064,10 3.737,11 3.737,12 0.865,13 3.266,14 1,15 0.747,16 100.166,17 0.771,19 20,20 7.317,21 0.5,22 10.078,23 3,24 10.388,25 0.143,26 0.911,27 4.089,29 4.545,30 4.545,31 7.545,32 4.545,33 2,34 0.846,35 4.113,36 -0.849,37 1.052,38 2.538,39 236.373,41 0.315,42 0.514,43 0.871,44 0.79,45 3.752,46 2.767,47 3.099,48 2.607,49 18.957,50 8,51 1.097,52 39.4,53 2.635,54 0.955,55 3.34,56 39.68,57 3.628,58 3.912,60 12.869,61 12.869,62 12.869,63 12.869,64 12.869,65 39.808,66 1,67 4.255,68 2.347,69 5.6}
{0 CHEMBL508928,1 2,2 2,3 1,4 1,6 8,7 3.808,8 1.419,10 5.713,11 5.713,12 1.317,13 3.868,14 1,15 1.02,16 175.138,17 1.085,19 26,20 10.927,21 2.096,22 26.718,23 4,24 20.473,25 1.738,26 1.307,27 4.153,28 1,29 4.667,30 4.667,31 7.667,32 4.667,33 3.267,34 1.158,35 4.775,36 1.137,37 1.39,38 2.875,39 232.425,41 0.225,42 2.248,43 1.264,44 1.088,45 3.794,46 3.226,47 3.632,48 3.038,49 42.77,50 9,51 1.546,52 55.918,53 3.136,54 1.367,55 3.599,56 55.879,57 4.134,58 4.277,60 18.27,61 18.27,62 18.27,63 18.27,64 18.27,65 56.644,66 0.88,67 4.98,68 2.806,69 6.3}
{0 CHEMBL50894,1 1,6 3,7 3.472,8 1.036,10 3.223,11 3.223,12 0.943,13 3.508,15 0.604,16 22.559,17 0.666,19 18,20 7.579,21 0.653,22 19.872,23 1,24 15.369,25 0.197,26 0.968,27 4.187,29 4.652,30 4.652,31 7.652,32 4.652,33 2,34 0.815,35 4.253,36 -1.092,37 1.004,38 2.384,39 162.976,41 0.37,42 0.779,43 0.915,44 0.757,45 3.611,46 2.875,47 3.238,48 2.736,49 14.025,50 6,51 1.263,52 38.294,53 2.803,54 1.088,55 3.18,56 38.291,57 3.66,58 3.97,60 12.365,61 12.365,62 12.365,63 12.365,64 12.365,65 38.767,66 1,67 4.591,68 2.542,69 5.6}
{0 CHEMBL509032,1 2,6 7,7 3.811,8 1.535,10 6.436,11 6.436,12 1.466,13 3.853,14 1,15 1.121,17 1.173,18 6,19 30,20 12.216,21 2.323,22 76.143,23 5,24 45.937,25 2.186,26 1.494,27 4.117,29 4.789,30 4.789,31 7.789,32 4.789,33 3.551,34 1.209,35 5.281,36 1.349,37 1.519,38 2.851,39 345.555,40 7.476,41 0.216,42 2.435,43 1.54,44 1.134,45 3.612,46 3.344,47 3.678,48 3.233,49 58.993,50 12,51 1.693,52 69.2,53 3.295,54 1.571,55 3.684,56 69.358,57 4.496,58 4.477,59 3,60 22.581,61 22.581,62 22.581,63 22.581,64 22.581,65 69.39,66 0.63,67 5.577,68 3.021,69 7.672}
{0 CHEMBL513909,1 1,2 1,6 7,7 3.784,8 1.614,10 6.625,11 6.625,12 1.568,13 3.839,14 1,15 1.19,16 95.957,17 1.276,18 2,19 27,20 12.164,21 1.992,22 69.22,23 4,24 41.796,25 1.984,26 1.571,27 4.048,29 4.074,30 4.074,31 7.074,32 4.074,33 3.31,34 1.331,35 5.248,36 1,37 1.622,38 2.7,39 269.849,40 6.183,41 0.238,42 2,43 1.571,44 1.264,45 3.502,46 3.423,47 3.649,48 3.241,49 45.526,50 10,51 1.52,52 62.777,53 3.314,54 1.61,55 3.649,56 62.827,57 4.432,58 4.431,59 3,60 20.56,61 20.56,62 20.56,63 20.56,64 20.56,65 63.096,66 0.63,67 5.562,68 2.983,69 5}
{0 CHEMBL519697,1 1,2 2,6 5,7 3.601,8 1.429,10 5.113,11 5.113,12 1.361,13 3.665,15 1.039,16 74.591,17 1.125,19 21,20 9.383,21 1.83,22 26.047,23 3,24 21.854,25 1.451,26 1.402,27 4.132,29 4.588,30 4.588,31 7.588,32 4.588,33 2.897,34 1.153,35 4.849,36 0.924,37 1.376,38 2.572,39 210.337,40 1.721,41 0.273,42 2,43 1.384,44 1.064,45 3.586,46 3.206,47 3.421,48 3.09,49 35.347,50 7,51 1.474,52 51.142,53 3.186,54 1.473,55 3.393,56 51.2,57 4.113,58 4.19,59 1,60 16.646,61 16.646,62 16.646,63 16.646,64 16.646,65 52.86,66 1,67 5.164,68 2.87,69 5.6}
{0 CHEMBL521851,1 1,2 3,6 7,7 3.738,8 1.554,10 5.727,11 5.727,12 1.376,13 3.786,15 1.064,16 149.966,17 1.153,18 9,19 30,20 11.866,21 2,22 35.664,23 4,24 24.599,25 1.967,26 1.429,27 4.155,29 4.618,30 4.618,31 7.618,32 4.618,33 3.392,34 1.307,35 5.038,36 1,37 1.508,38 2.698,39 325.557,40 6.151,41 0.23,42 2.032,43 1.513,44 1.232,45 3.803,46 3.323,47 3.545,48 3.111,49 39.378,50 12,51 1.612,52 61.455,53 3.206,54 1.513,55 3.538,56 61.525,57 4.265,58 4.394,59 3,60 19.826,61 19.826,62 19.826,63 19.826,64 19.826,65 61.554,66 0.63,67 5.279,68 2.91,69 5}
{0 CHEMBL522892,1 1,6 6,7 3.546,8 1.402,10 5.143,11 5.143,12 1.35,13 3.581,15 0.934,16 55.207,17 0.997,18 4,19 25,20 10.413,21 1.178,22 38.408,23 3,24 24.416,25 1.051,26 1.315,27 4.142,29 4.499,30 4.499,31 7.499,32 4.499,33 2.854,34 1.131,35 4.768,36 0.094,37 1.376,38 2.443,39 218.558,40 4.621,41 0.269,42 1.465,43 1.209,44 1.048,45 3.902,46 3.206,47 3.437,48 3.081,49 26.894,50 8,51 1.536,52 50.292,53 3.179,54 1.321,55 3.428,56 50.383,57 4.047,58 4.248,59 2,60 16.271,61 16.271,62 16.271,63 16.271,64 16.271,65 51.138,66 0.88,67 5.047,68 2.859,69 5}
{0 CHEMBL525191,1 1,3 1,4 1,6 4,7 3.471,8 1.189,10 3.721,11 3.721,12 1.062,13 3.521,14 1,15 0.821,16 119.434,17 0.886,18 2,19 20,20 8.32,21 0.744,22 8.152,23 3,24 10.747,25 0.474,26 1.107,27 4.096,29 4.287,30 4.287,31 7.287,32 4.287,33 2.323,34 0.953,35 4.534,36 -0.458,37 1.214,38 2.302,39 171.596,41 0.325,42 0.82,43 1.16,44 0.9,45 3.714,46 2.925,47 3.316,48 2.755,49 21.267,50 6,51 1.49,52 41.958,53 2.822,54 1.181,55 3.315,56 42.01,57 3.887,58 4.025,60 13.767,61 13.767,62 13.767,63 13.767,64 13.767,65 42.263,66 1,67 4.805,68 2.547,69 5}
{0 CHEMBL535,1 1,6 4,7 3.494,8 1.558,10 5.105,11 5.105,12 1.282,13 3.548,14 1,15 0.935,16 154.273,17 0.998,18 4,19 14,20 8.825,21 1.042,22 30.71,23 2,24 25.99,25 1.037,26 1.283,27 4.085,29 4.332,30 4.332,31 7.332,32 4.332,33 2.459,34 1.343,35 4.852,36 0.078,37 1.575,38 2.442,39 193.084,40 2.238,41 0.337,42 1.183,43 1.258,44 1.256,45 3.63,46 3.297,47 3.357,48 3.093,49 30.19,50 7,51 1.585,52 46.081,53 3.147,54 1.545,55 3.343,56 46.081,57 4.101,58 4.094,59 1,60 15.105,61 15.105,62 15.105,63 15.105,64 15.105,65 46.73,66 1,67 5.08,68 2.88,69 5.169}
{0 CHEMBL539474,1 1,2 1,3 1,4 1,6 3,7 3.273,8 1.128,10 3.303,11 3.303,12 0.889,13 3.321,14 1,15 0.574,16 87.049,17 0.612,18 2,19 18,20 7.342,21 0.379,22 30.643,23 2,24 22.608,25 0.091,26 0.888,27 4.101,29 4.266,30 4.266,31 7.266,32 4.266,33 1.779,34 0.865,35 4.437,36 -1.153,37 1.094,38 1.909,39 155.59,40 1.869,41 0.337,42 0.508,43 0.879,44 0.799,45 3.639,46 2.834,47 3.068,48 2.675,49 14.98,50 5,51 1.441,52 36.542,53 2.75,54 1.159,55 3.042,56 36.526,57 3.719,58 3.912,59 1,60 11.854,61 11.854,62 11.854,63 11.854,64 11.854,65 37.056,66 1,67 4.732,68 2.46,69 5.6}
{0 CHEMBL553,1 1,2 2,4 1,6 3,7 3.555,8 1.395,10 3.444,11 3.444,12 1.327,13 3.597,15 0.978,17 1.075,18 4,19 16,20 7.984,21 1.182,22 33.398,23 2,24 25.355,25 1.114,26 1.351,27 4.079,29 4.513,30 4.513,31 7.513,32 4.513,33 2.599,34 1.105,35 4.716,36 0.233,37 1.371,38 2.233,39 180.455,41 0.345,42 1.433,43 1.367,44 1.021,45 3.653,46 3.21,47 3.312,48 3.071,49 32.749,50 7,51 1.432,52 43.976,53 3.163,54 1.416,55 3.297,56 43.943,57 4.05,58 3.97,60 15.244,61 15.244,62 15.244,63 15.244,64 15.244,65 45.202,66 1,67 4.845,68 2.816,69 5.3}
{0 CHEMBL554,1 1,2 1,6 4,7 3.883,8 1.491,10 6.74,11 6.74,12 1.436,13 3.898,14 1,15 1.141,16 115.698,17 1.189,18 4,19 27,20 11.62,21 2.367,22 40.3,23 4,24 28.108,25 2.176,26 1.43,27 4.112,29 4.484,30 4.484,31 7.484,32 4.484,33 3.426,34 1.254,35 4.958,36 1.461,37 1.466,38 3.091,39 313.061,41 0.208,42 2.471,43 1.436,44 1.192,45 3.996,46 3.389,47 3.802,48 3.237,49 67.613,50 11,51 1.825,52 65.621,53 3.284,54 1.498,55 3.804,56 65.963,57 4.306,58 4.344,60 21.775,61 21.775,62 21.775,63 21.775,64 21.775,65 65.729,66 0.63,67 5.243,68 3.052,69 5.3}
{0 CHEMBL558752,1 3,2 2,3 1,4 1,6 6,7 3.75,8 1.394,10 6.508,11 6.508,12 1.254,13 3.789,14 1,15 0.936,16 199.753,17 0.989,19 26,20 11.196,21 2.248,22 34.25,23 4,24 25.984,25 1.868,26 1.222,27 4.133,29 4.586,30 4.586,31 7.586,32 4.586,33 3.414,34 1.136,35 4.815,36 1.328,37 1.456,38 3.148,39 282.163,41 0.218,42 2.379,43 1.181,44 1.084,45 3.886,46 3.307,47 3.607,48 3.028,49 49.779,50 13,51 1.457,52 63.294,53 3.117,54 1.311,55 3.579,56 63.718,57 4.14,58 4.369,60 20.258,61 20.258,62 20.258,63 20.258,64 20.258,65 64.499,66 0.75,67 4.965,68 2.831,69 5.444}
{0 CHEMBL560813,6 5,7 3.406,8 1.072,9 1,10 4.377,11 4.377,12 0.922,13 3.434,14 1,15 0.56,17 0.644,19 16,20 6.952,21 0.826,22 22.325,23 2,24 17.325,25 0.382,26 0.924,27 4.095,29 4.388,30 4.388,31 7.388,32 4.388,33 2.232,34 0.816,35 4.249,36 -0.843,37 1.098,38 2.445,39 160.088,41 0.319,42 0.882,43 0.942,44 0.797,45 3.739,46 2.971,47 3.204,48 2.7,49 24.829,50 8,51 1.225,52 39.713,53 2.79,54 0.984,55 3.154,56 39.649,57 3.723,58 3.85,60 13.266,61 13.266,62 13.266,63 13.266,64 13.266,65 41.346,66 1,67 4.538,68 2.488,69 5.6}
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{0 CHEMBL572878,1 2,2 3,6 8,7 3.83,8 1.448,10 6.016,11 6.016,12 1.376,13 3.87,15 1.064,16 100.105,17 1.153,18 4,19 26,20 9.615,21 1.524,22 58.816,23 5,24 36.777,25 1.713,26 1.429,27 4.008,29 3.915,30 3.915,31 6.915,32 3.915,33 3.035,34 1.153,35 4.955,36 1,37 1.427,38 2.761,39 245.856,40 4.617,41 0.236,42 2,43 1.513,44 1.064,45 3.714,46 3.249,47 3.686,48 3.111,49 40.854,50 10,51 1.516,52 55.005,53 3.206,54 1.513,55 3.666,56 55.046,57 4.223,58 4.159,59 2,60 18.315,61 18.315,62 18.315,63 18.315,64 18.315,65 55.819,66 0.75,67 5.18,68 2.91,69 5}
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{0 CHEMBL592030,1 2,2 1,3 1,4 1,6 7,7 3.613,8 1.421,10 5.22,11 5.22,12 1.347,13 3.696,15 1.002,16 176.472,17 1.086,18 2,19 27,20 11.517,21 1.976,22 7.5,23 3,24 9.487,25 1.772,26 1.346,27 4.206,29 4.699,30 4.699,31 7.699,32 4.699,33 3.33,34 1.218,35 4.757,36 1.154,37 1.39,38 3.12,39 258.513,41 0.252,42 2.244,43 1.315,44 1.142,45 3.94,46 3.305,47 3.423,48 2.945,49 29.563,50 8,51 1.591,52 56.655,53 3.063,54 1.363,55 3.429,56 56.647,57 4.107,58 4.369,60 18.316,61 18.316,62 18.316,63 18.316,64 18.316,65 56.939,66 0.88,67 5.006,68 2.806,69 5.6}
{0 CHEMBL597754,1 1,2 1,6 8,7 3.731,8 1.604,10 6.47,11 6.47,12 1.419,13 3.773,14 1,15 1.097,16 85.991,17 1.161,18 4,19 25,20 11.698,21 2,22 57.891,23 3,24 40.611,25 1.977,26 1.429,27 4.105,29 4.51,30 4.51,31 7.51,32 4.51,33 3.414,34 1.331,35 5.191,36 1,37 1.601,38 2.819,39 311.359,40 3.369,41 0.222,42 2.04,43 1.513,44 1.24,45 3.508,46 3.439,47 3.569,48 3.22,49 45.728,50 13,51 1.6,52 62.815,53 3.281,54 1.563,55 3.583,56 62.916,57 4.37,58 4.419,59 2,60 20.123,61 20.123,62 20.123,63 20.123,64 20.123,65 63.1,66 0.63,67 5.502,68 3.004,69 5}
{0 CHEMBL599224,1 1,2 1,6 7,7 3.473,8 1.429,10 5.165,11 5.165,12 1.254,13 3.528,14 1,15 0.873,16 52.779,17 0.967,18 2,19 19,20 8.753,21 0.828,22 40.222,23 2,24 28.647,25 0.583,26 1.272,27 4.095,29 4.433,30 4.433,31 7.433,32 4.433,33 2.461,34 1.153,35 4.807,36 -0.421,37 1.376,38 2.32,39 196.365,40 1.86,41 0.303,42 0.851,43 1.281,44 1.064,45 3.655,46 3.206,47 3.275,48 2.997,49 24.568,50 9,51 1.374,52 46.067,53 3.097,54 1.447,55 3.258,56 46.049,57 4.029,58 4.111,59 1,60 14.784,61 14.784,62 14.784,63 14.784,64 14.784,65 46.503,66 1,67 5.083,68 2.763,69 5}
{0 CHEMBL599428,1 1,2 1,5 1,6 7,7 3.691,8 1.429,10 5.72,11 5.72,12 1.376,13 3.748,14 1,15 1.064,16 68.624,17 1.153,18 2,19 25,20 10.657,21 2,22 41.133,23 3,24 29.318,25 1.823,26 1.39,27 4.097,29 4.433,30 4.433,31 7.433,32 4.433,33 3.247,34 1.155,35 4.901,36 1,37 1.405,38 2.762,39 231.362,40 1.897,41 0.239,42 2.036,43 1.351,44 1.108,45 3.87,46 3.283,47 3.534,48 3.111,49 34.539,50 9,51 1.489,52 54.959,53 3.206,54 1.456,55 3.504,56 54.991,57 4.16,58 4.29,59 1,60 17.761,61 17.761,62 17.761,63 17.761,64 17.761,65 55.599,66 0.88,67 5.207,68 2.91,69 5}
{0 CHEMBL600795,6 1,7 3.34,8 0.957,10 3.506,11 3.506,12 0.808,13 3.403,15 0.625,17 0.657,19 16,20 6.825,21 0.348,22 10.013,23 2,24 9.446,25 0.19,26 0.826,27 4.068,29 4.337,30 4.337,31 7.337,32 4.337,33 1.891,34 0.765,35 4.248,36 -0.96,37 0.968,38 2.382,39 172.819,41 0.372,42 0.537,43 0.839,44 0.708,45 3.451,46 2.84,47 3.196,48 2.681,49 14.909,50 5,51 1.295,52 35.668,53 2.713,54 0.861,55 3.208,56 35.78,57 3.644,58 3.829,60 11.796,61 11.796,62 11.796,63 11.796,64 11.796,65 36.015,66 0.88,67 4.534,68 2.56,69 4.301}
{0 CHEMBL601719,1 1,3 1,4 1,6 5,7 3.634,8 1.429,10 4.921,11 4.921,12 1.191,13 3.702,14 1,15 0.811,16 82.892,17 0.85,18 2,19 23,20 9.315,21 1.427,22 28.517,23 4,24 23.489,25 1.08,26 1.198,27 4.05,29 4.165,30 4.165,31 7.165,32 4.165,33 2.718,34 1.153,35 4.779,36 0.257,37 1.376,38 2.416,39 233.7,41 0.285,42 1.459,43 1.17,44 1.064,45 4.063,46 3.157,47 3.463,48 2.939,49 28.804,50 9,51 1.38,52 49.642,53 3.019,54 1.416,55 3.445,56 49.79,57 4.068,58 4.159,60 16.228,61 16.228,62 16.228,63 16.228,64 16.228,65 50.135,66 1,67 5.103,68 2.829,69 5}
{0 CHEMBL602471,2 1,6 2,7 3.462,8 1.153,10 5.027,11 5.027,12 0.971,13 3.505,15 0.771,17 0.821,19 16,20 7.774,21 1,22 12.364,23 2,24 12.271,25 0.617,26 0.999,27 4.082,29 4.38,30 4.38,31 7.38,32 4.38,33 2.296,34 0.843,35 4.434,36 -0.307,37 1.123,38 2.702,39 200.98,41 0.338,42 1.07,43 1.027,44 0.811,45 3.963,46 2.982,47 3.286,48 2.899,49 25.259,50 7,51 1.36,52 43.087,53 2.949,54 1.15,55 3.272,56 43.185,57 3.848,58 3.97,60 14.262,61 14.262,62 14.262,63 14.262,64 14.262,65 43.971,66 1,67 4.721,68 2.695,69 4.495}
{0 CHEMBL602472,2 1,6 2,7 3.478,8 1.169,10 5.035,11 5.035,12 1.032,13 3.517,15 0.811,17 0.821,19 19,20 8.658,21 1.007,22 17.735,23 3,24 17.284,25 0.871,26 1.058,27 4.116,29 4.384,30 4.384,31 7.384,32 4.384,33 2.592,34 0.972,35 4.554,36 -0.071,37 1.151,38 2.774,39 224.479,41 0.289,42 1.205,43 1.073,44 0.916,45 3.955,46 3.043,47 3.324,48 2.939,49 25.551,50 7,51 1.358,52 46.744,53 2.949,54 1.193,55 3.312,56 46.78,57 3.927,58 4.111,60 15.235,61 15.235,62 15.235,63 15.235,64 15.235,65 47.43,66 1,67 4.848,68 2.829,69 4.301}
{0 CHEMBL607707,1 1,2 1,6 5,7 3.609,8 1.308,10 5.264,11 5.264,12 1.248,13 3.655,14 1,15 0.938,17 0.993,18 2,19 16,20 8.993,21 1.45,22 40.331,23 2,24 30.281,25 1.281,26 1.293,27 4.104,29 4.576,30 4.576,31 7.576,32 4.576,33 2.767,34 1.052,35 4.785,36 0.451,37 1.3,38 2.817,39 222.203,40 1.931,41 0.347,42 1.713,43 1.258,44 0.99,45 4.12,46 3.191,47 3.475,48 3.088,49 38.123,50 9,51 1.515,52 51.16,53 3.155,54 1.417,55 3.461,56 51.253,57 4.115,58 4.127,59 1,60 17.174,61 17.174,62 17.174,63 17.174,64 17.174,65 52.977,66 0.88,67 5.005,68 2.909,69 5}
{0 CHEMBL608154,1 1,6 4,7 3.305,8 1.314,10 4.148,11 4.148,12 0.997,13 3.349,14 2,15 0.768,16 38.409,17 0.815,19 19,20 8.969,21 0.965,22 14.608,23 2,24 12.855,25 0.706,26 1,27 4.216,29 4.884,30 4.884,31 7.884,32 4.884,33 2.438,34 1.079,35 4.472,36 -0.37,37 1.31,38 2.601,39 198.778,41 0.338,42 1.092,43 1.003,44 1.011,45 3.994,46 3.204,47 3.114,48 2.856,49 19.509,50 7,51 1.171,52 43.916,53 2.91,54 1.275,55 3.09,56 43.997,57 3.849,58 4.111,60 14.237,61 14.237,62 14.237,63 14.237,64 14.237,65 44.37,66 1,67 4.644,68 2.704,69 5}
{0 CHEMBL91829,1 2,2 1,3 2,4 2,6 4,7 3.741,8 1.546,10 5.936,11 5.936,12 1.41,13 3.777,15 1.128,16 112.181,17 1.187,18 4,19 27,20 12.797,21 2.206,22 21.51,23 1,24 21.829,25 2.088,26 1.416,27 4.209,29 4.714,30 4.714,31 7.714,32 4.714,33 3.574,34 1.299,35 5.002,36 1.427,37 1.61,38 2.723,39 260.744,40 2.154,41 0.271,42 2.452,43 1.417,44 1.262,45 3.605,46 3.37,47 3.581,48 3.202,49 24.898,50 7,51 1.615,52 61.664,53 3.257,54 1.467,55 3.577,56 61.687,57 4.257,58 4.454,59 1,60 19.802,61 19.802,62 19.802,63 19.802,64 19.802,65 62.398,66 0.75,67 5.269,68 3.068,69 5}
{0 CHEMBL939,1 1,2 2,6 4,7 3.558,8 1.417,10 4.444,11 4.444,12 1.274,13 3.603,15 0.961,17 1.021,18 6,19 22,20 9.019,21 1.471,22 41.089,23 3,24 28.856,25 1.27,26 1.259,27 4.079,29 4.513,30 4.513,31 7.513,32 4.513,33 2.812,34 1.127,35 4.851,36 0.416,37 1.376,38 2.521,39 220.188,40 2.369,41 0.272,42 1.555,43 1.258,44 1.047,45 3.743,46 3.206,47 3.362,48 3.108,49 36.081,50 9,51 1.452,52 49.662,53 3.174,54 1.391,55 3.346,56 49.795,57 4.125,58 4.111,59 1,60 16.748,61 16.748,62 16.748,63 16.748,64 16.748,65 49.568,66 1,67 5.085,68 2.89,69 5.35}
{0 CHEMBL941,1 1,6 7,7 3.794,8 1.503,10 6.246,11 6.246,12 1.376,13 3.855,15 1.064,17 1.153,18 5,19 30,20 10.811,21 2.5,22 48.345,23 5,24 30.255,25 1.967,26 1.429,27 4.028,29 3.96,30 3.96,31 6.96,32 3.96,33 3.414,34 1.223,35 5.033,36 1.5,37 1.48,38 2.784,39 240.37,40 4.8,41 0.21,42 2.5,43 1.513,44 1.136,45 3.516,46 3.335,47 3.614,48 3.111,49 52.079,50 8,51 1.681,52 60.636,53 3.206,54 1.546,55 3.604,56 60.676,57 4.309,58 4.277,59 2,60 20.276,61 20.276,62 20.276,63 20.276,64 20.276,65 61.129,66 0.75,67 5.286,68 2.91,69 5.3}
{0 CHEMBL95692,1 1,6 5,7 3.592,8 1.363,10 3.547,11 3.547,12 1.11,13 3.658,15 0.821,16 68.615,17 0.886,18 2,19 23,20 8.216,21 0.81,22 22.813,23 4,24 18.59,25 0.786,26 1.131,27 4.085,29 4.34,30 4.34,31 7.34,32 4.34,33 2.326,34 1.153,35 4.677,36 -0.167,37 1.376,38 2.219,39 180.448,41 0.336,42 1.158,43 1.181,44 1.064,45 3.675,46 3.09,47 3.409,48 2.854,49 21.166,50 7,51 1.244,52 43.259,53 2.925,54 1.297,55 3.38,56 43.274,57 3.948,58 4.025,60 14.28,61 14.28,62 14.28,63 14.28,64 14.28,65 43.502,66 1,67 4.941,68 2.715,69 5.6}