@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5251

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL101311,CHEMBL103667,CHEMBL105442,CHEMBL1081198,CHEMBL1081312,CHEMBL1084546,CHEMBL1090143,CHEMBL1090356,CHEMBL116070,CHEMBL1164180,CHEMBL1164265,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1233887,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL1242373,CHEMBL1242977,CHEMBL1243200,CHEMBL1243326,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1290746,CHEMBL1336,CHEMBL1375640,CHEMBL1421,CHEMBL1421720,CHEMBL14762,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1624529,CHEMBL1651521,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682558,CHEMBL1721885,CHEMBL17370,CHEMBL1738710,CHEMBL1761510,CHEMBL1761512,CHEMBL1765781,CHEMBL1789941,CHEMBL180022,CHEMBL1808264,CHEMBL1825138,CHEMBL1834657,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1870106,CHEMBL1873475,CHEMBL1879463,CHEMBL189963,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1916359,CHEMBL1916712,CHEMBL1916713,CHEMBL1916714,CHEMBL1916715,CHEMBL1916716,CHEMBL1916717,CHEMBL1916718,CHEMBL1916719,CHEMBL1916879,CHEMBL1916880,CHEMBL1916881,CHEMBL1916882,CHEMBL1916883,CHEMBL1916884,CHEMBL1916885,CHEMBL1916886,CHEMBL1916887,CHEMBL1916888,CHEMBL1916889,CHEMBL1916890,CHEMBL1916891,CHEMBL1916892,CHEMBL1916893,CHEMBL1916894,CHEMBL1916895,CHEMBL1916896,CHEMBL1916897,CHEMBL1916898,CHEMBL1916899,CHEMBL1916900,CHEMBL1916901,CHEMBL1916902,CHEMBL1916903,CHEMBL1916904,CHEMBL1916905,CHEMBL1916906,CHEMBL1916907,CHEMBL1929238,CHEMBL1933552,CHEMBL1949855,CHEMBL1958401,CHEMBL196363,CHEMBL1964290,CHEMBL1964382,CHEMBL1964441,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964804,CHEMBL1964902,CHEMBL1964937,CHEMBL1964948,CHEMBL1965033,CHEMBL1965131,CHEMBL1965169,CHEMBL1965170,CHEMBL1965387,CHEMBL1965423,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965660,CHEMBL1965836,CHEMBL1965845,CHEMBL1966175,CHEMBL1966279,CHEMBL1966343,CHEMBL1966501,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1966842,CHEMBL1967094,CHEMBL1967302,CHEMBL1967336,CHEMBL1967513,CHEMBL1967531,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1967992,CHEMBL1967998,CHEMBL1968127,CHEMBL1968151,CHEMBL1968380,CHEMBL1968406,CHEMBL1968590,CHEMBL1968606,CHEMBL1968705,CHEMBL1968791,CHEMBL1968868,CHEMBL1969042,CHEMBL1969049,CHEMBL1969126,CHEMBL1969151,CHEMBL1969190,CHEMBL1969301,CHEMBL1969372,CHEMBL1969483,CHEMBL1969502,CHEMBL1969506,CHEMBL1969537,CHEMBL1969561,CHEMBL1969588,CHEMBL1969664,CHEMBL1969735,CHEMBL1969843,CHEMBL1969879,CHEMBL1969942,CHEMBL1970104,CHEMBL1970142,CHEMBL1970189,CHEMBL1970203,CHEMBL1970217,CHEMBL1970290,CHEMBL1970314,CHEMBL1970340,CHEMBL1970352,CHEMBL1970522,CHEMBL1970709,CHEMBL1970903,CHEMBL1970913,CHEMBL1971021,CHEMBL1971132,CHEMBL1971141,CHEMBL1971149,CHEMBL1971186,CHEMBL1971223,CHEMBL1971227,CHEMBL1971245,CHEMBL1971289,CHEMBL1971485,CHEMBL1971606,CHEMBL1971649,CHEMBL1971943,CHEMBL1972125,CHEMBL1972142,CHEMBL1972158,CHEMBL1972220,CHEMBL1972221,CHEMBL1972346,CHEMBL1972355,CHEMBL1972462,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972849,CHEMBL1972937,CHEMBL1973013,CHEMBL1973016,CHEMBL1973098,CHEMBL1973138,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973359,CHEMBL1973483,CHEMBL1973516,CHEMBL1973540,CHEMBL1973720,CHEMBL1973793,CHEMBL1973808,CHEMBL1973860,CHEMBL1973868,CHEMBL1973893,CHEMBL1973937,CHEMBL1973961,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974574,CHEMBL1974617,CHEMBL1974664,CHEMBL1974702,CHEMBL1974870,CHEMBL1974875,CHEMBL1974935,CHEMBL1974998,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975212,CHEMBL1975233,CHEMBL1975256,CHEMBL1975490,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1975900,CHEMBL1975903,CHEMBL1975921,CHEMBL1975923,CHEMBL1975927,CHEMBL1976040,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976158,CHEMBL1976196,CHEMBL1976220,CHEMBL1976240,CHEMBL1976376,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1977134,CHEMBL1977135,CHEMBL1977138,CHEMBL1977148,CHEMBL1977346,CHEMBL1977634,CHEMBL1977749,CHEMBL1977814,CHEMBL1978014,CHEMBL1978099,CHEMBL1978166,CHEMBL1978167,CHEMBL1978195,CHEMBL1978200,CHEMBL1978267,CHEMBL1978271,CHEMBL1978371,CHEMBL1978448,CHEMBL1978562,CHEMBL1978567,CHEMBL1979057,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979357,CHEMBL1979516,CHEMBL1979690,CHEMBL1979773,CHEMBL1979883,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980167,CHEMBL1980246,CHEMBL1980297,CHEMBL1980329,CHEMBL1980391,CHEMBL1980407,CHEMBL1980489,CHEMBL1980540,CHEMBL1980671,CHEMBL1980704,CHEMBL1980763,CHEMBL1980896,CHEMBL1980995,CHEMBL1981047,CHEMBL1981079,CHEMBL1981133,CHEMBL1981215,CHEMBL1981410,CHEMBL1981671,CHEMBL1981720,CHEMBL1981725,CHEMBL1981744,CHEMBL1981782,CHEMBL1981792,CHEMBL1982122,CHEMBL1982135,CHEMBL1982361,CHEMBL1982383,CHEMBL1982413,CHEMBL1982466,CHEMBL1982506,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982700,CHEMBL1982711,CHEMBL1982753,CHEMBL1982866,CHEMBL1982874,CHEMBL1982924,CHEMBL1982957,CHEMBL1983070,CHEMBL1983111,CHEMBL1983268,CHEMBL1983348,CHEMBL1983393,CHEMBL1983534,CHEMBL1983575,CHEMBL1983640,CHEMBL1983715,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1983980,CHEMBL1984038,CHEMBL1984162,CHEMBL1984191,CHEMBL1984236,CHEMBL1984296,CHEMBL1984363,CHEMBL1984367,CHEMBL1984586,CHEMBL1984633,CHEMBL1984686,CHEMBL1984700,CHEMBL1984760,CHEMBL1984842,CHEMBL1984847,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985206,CHEMBL1985367,CHEMBL1985406,CHEMBL1985469,CHEMBL1985681,CHEMBL1986139,CHEMBL1986143,CHEMBL1986177,CHEMBL1986186,CHEMBL1986263,CHEMBL1986265,CHEMBL1986499,CHEMBL1986503,CHEMBL1986530,CHEMBL1986590,CHEMBL1986597,CHEMBL1986756,CHEMBL1986781,CHEMBL1986869,CHEMBL1986899,CHEMBL1986943,CHEMBL1986970,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987359,CHEMBL1987430,CHEMBL1987535,CHEMBL1987679,CHEMBL1987910,CHEMBL1987998,CHEMBL1988075,CHEMBL1988076,CHEMBL1988141,CHEMBL1988153,CHEMBL1988173,CHEMBL1988300,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988581,CHEMBL1988594,CHEMBL1988608,CHEMBL1988692,CHEMBL1988717,CHEMBL1988805,CHEMBL1988838,CHEMBL1988872,CHEMBL1989029,CHEMBL1989043,CHEMBL1989267,CHEMBL1989471,CHEMBL1989646,CHEMBL1989708,CHEMBL1989834,CHEMBL1990223,CHEMBL1990254,CHEMBL1990288,CHEMBL1990482,CHEMBL1990496,CHEMBL1990590,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991063,CHEMBL1991078,CHEMBL1991138,CHEMBL1991188,CHEMBL1991285,CHEMBL1991377,CHEMBL1991395,CHEMBL1991410,CHEMBL1991674,CHEMBL1991678,CHEMBL1991725,CHEMBL1991734,CHEMBL1991818,CHEMBL1992042,CHEMBL1992073,CHEMBL1992125,CHEMBL1992306,CHEMBL1992323,CHEMBL1992334,CHEMBL1992342,CHEMBL1992371,CHEMBL1992473,CHEMBL1992536,CHEMBL1992581,CHEMBL1992634,CHEMBL1992937,CHEMBL1993243,CHEMBL1993335,CHEMBL1993374,CHEMBL1993413,CHEMBL1993548,CHEMBL1993584,CHEMBL1993634,CHEMBL1993661,CHEMBL1993781,CHEMBL1993877,CHEMBL1993904,CHEMBL1993941,CHEMBL1994040,CHEMBL1994074,CHEMBL1994308,CHEMBL1994318,CHEMBL1994526,CHEMBL1994538,CHEMBL1994555,CHEMBL1994693,CHEMBL1994724,CHEMBL1994830,CHEMBL1994938,CHEMBL1994977,CHEMBL1995172,CHEMBL1995211,CHEMBL1995428,CHEMBL1995740,CHEMBL1995765,CHEMBL1995811,CHEMBL1995813,CHEMBL1995832,CHEMBL1996048,CHEMBL1996066,CHEMBL1996111,CHEMBL1996176,CHEMBL1996234,CHEMBL1996345,CHEMBL1996500,CHEMBL1996510,CHEMBL1996576,CHEMBL1996587,CHEMBL1996646,CHEMBL1996649,CHEMBL1996702,CHEMBL1996791,CHEMBL1996795,CHEMBL1996817,CHEMBL1996831,CHEMBL1996979,CHEMBL1997007,CHEMBL1997023,CHEMBL1997041,CHEMBL1997051,CHEMBL1997193,CHEMBL1997197,CHEMBL1997275,CHEMBL1997335,CHEMBL1997340,CHEMBL1997534,CHEMBL1997597,CHEMBL1997611,CHEMBL1997617,CHEMBL1997764,CHEMBL1997846,CHEMBL1997892,CHEMBL1997909,CHEMBL1997924,CHEMBL1998110,CHEMBL1998112,CHEMBL1998121,CHEMBL1998159,CHEMBL1998193,CHEMBL1998228,CHEMBL1998253,CHEMBL1998470,CHEMBL1998545,CHEMBL1998585,CHEMBL1998611,CHEMBL1998680,CHEMBL1998953,CHEMBL1999112,CHEMBL1999120,CHEMBL1999321,CHEMBL1999414,CHEMBL1999428,CHEMBL1999484,CHEMBL1999506,CHEMBL1999590,CHEMBL1999714,CHEMBL1999718,CHEMBL1999811,CHEMBL1999931,CHEMBL2000029,CHEMBL2000071,CHEMBL2000078,CHEMBL2000114,CHEMBL2000335,CHEMBL2000354,CHEMBL2000393,CHEMBL2000408,CHEMBL2000429,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000724,CHEMBL2000801,CHEMBL2000832,CHEMBL2000894,CHEMBL2001019,CHEMBL2001149,CHEMBL2001224,CHEMBL2001228,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001398,CHEMBL2001485,CHEMBL2001547,CHEMBL2001584,CHEMBL2001613,CHEMBL2001751,CHEMBL2001920,CHEMBL2001923,CHEMBL2001957,CHEMBL2001987,CHEMBL2002099,CHEMBL2002165,CHEMBL2002432,CHEMBL2002479,CHEMBL2002586,CHEMBL2002599,CHEMBL2002649,CHEMBL2002660,CHEMBL2002690,CHEMBL2002702,CHEMBL2002726,CHEMBL2002736,CHEMBL2002799,CHEMBL2002992,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003514,CHEMBL2003638,CHEMBL2003689,CHEMBL2003785,CHEMBL2003817,CHEMBL2004025,CHEMBL2004033,CHEMBL2004118,CHEMBL2004159,CHEMBL2004290,CHEMBL2004311,CHEMBL2004419,CHEMBL2004438,CHEMBL2004447,CHEMBL2004544,CHEMBL2004637,CHEMBL2004716,CHEMBL2004771,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2004934,CHEMBL2005186,CHEMBL2005375,CHEMBL2005449,CHEMBL2005475,CHEMBL2005478,CHEMBL2005482,CHEMBL2005528,CHEMBL2005699,CHEMBL2005792,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006149,CHEMBL2006188,CHEMBL2006237,CHEMBL2006263,CHEMBL2006299,CHEMBL2006439,CHEMBL2006450,CHEMBL2006564,CHEMBL2006674,CHEMBL2006765,CHEMBL2006785,CHEMBL2007002,CHEMBL2007064,CHEMBL2007073,CHEMBL2007124,CHEMBL2007266,CHEMBL2007296,CHEMBL2007375,CHEMBL2007421,CHEMBL2007479,CHEMBL2007559,CHEMBL2007574,CHEMBL2007592,CHEMBL2010872,CHEMBL2012519,CHEMBL202721,CHEMBL2031893,CHEMBL2057912,CHEMBL2057913,CHEMBL2057914,CHEMBL2057915,CHEMBL2057916,CHEMBL2057918,CHEMBL2057919,CHEMBL2057920,CHEMBL2057921,CHEMBL2057922,CHEMBL2057923,CHEMBL2057924,CHEMBL2057925,CHEMBL2058193,CHEMBL2058194,CHEMBL207028,CHEMBL207400,CHEMBL209148,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL21156,CHEMBL213505,CHEMBL2151321,CHEMBL215152,CHEMBL215943,CHEMBL2179780,CHEMBL2179790,CHEMBL2179804,CHEMBL2179805,CHEMBL2179806,CHEMBL220057,CHEMBL220241,CHEMBL2205766,CHEMBL2216827,CHEMBL2216828,CHEMBL221959,CHEMBL223360,CHEMBL225519,CHEMBL226403,CHEMBL228043,CHEMBL230011,CHEMBL230761,CHEMBL2309006,CHEMBL2309609,CHEMBL231209,CHEMBL2312303,CHEMBL2312304,CHEMBL2312645,CHEMBL2312646,CHEMBL2312649,CHEMBL2312652,CHEMBL2312654,CHEMBL233338,CHEMBL234085,CHEMBL235157,CHEMBL242865,CHEMBL243088,CHEMBL244378,CHEMBL246356,CHEMBL246970,CHEMBL24828,CHEMBL248676,CHEMBL249097,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL259084,CHEMBL259922,CHEMBL260135,CHEMBL261849,CHEMBL262433,CHEMBL271190,CHEMBL271381,CHEMBL272453,CHEMBL278041,CHEMBL281957,CHEMBL285063,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL340384,CHEMBL340921,CHEMBL360847,CHEMBL363648,CHEMBL371206,CHEMBL373882,CHEMBL377085,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379975,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL386661,CHEMBL386760,CHEMBL387971,CHEMBL394619,CHEMBL394790,CHEMBL396523,CHEMBL398422,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL406845,CHEMBL410295,CHEMBL410643,CHEMBL411903,CHEMBL415049,CHEMBL41783,CHEMBL422897,CHEMBL424872,CHEMBL428690,CHEMBL440084,CHEMBL445813,CHEMBL447602,CHEMBL450786,CHEMBL451401,CHEMBL453737,CHEMBL454973,CHEMBL458333,CHEMBL458997,CHEMBL459044,CHEMBL460472,CHEMBL460702,CHEMBL461139,CHEMBL461140,CHEMBL461876,CHEMBL464552,CHEMBL465465,CHEMBL468280,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL481968,CHEMBL481969,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL49120,CHEMBL491473,CHEMBL491758,CHEMBL492251,CHEMBL493940,CHEMBL494089,CHEMBL497151,CHEMBL500517,CHEMBL502156,CHEMBL505896,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL513909,CHEMBL517647,CHEMBL519697,CHEMBL521851,CHEMBL522011,CHEMBL522892,CHEMBL525191,CHEMBL526133,CHEMBL535,CHEMBL539474,CHEMBL546797,CHEMBL550418,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL558969,CHEMBL560813,CHEMBL565061,CHEMBL565612,CHEMBL568922,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576113,CHEMBL576887,CHEMBL576982,CHEMBL576989,CHEMBL578601,CHEMBL58,CHEMBL583144,CHEMBL583187,CHEMBL592030,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL7064,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute SpMax8_Bh.m. numeric
@attribute XMOD numeric
@attribute AMR numeric
@attribute Eta_alpha numeric
@attribute Chi0_EA.dm. numeric
@attribute VvdwMG numeric
@attribute Vx numeric
@attribute MDDD numeric
@attribute SpMin7_Bh.v. numeric
@attribute TIC4 numeric
@attribute Eta_betaS numeric
@attribute X1sol numeric
@attribute SpMin7_Bh.e. numeric
@attribute TIC5 numeric
@attribute ATS1i numeric
@attribute Sv numeric
@attribute Psi_i_0 numeric
@attribute TIC3 numeric
@attribute SpMax7_Bh.e. numeric
@attribute Chi1_EA.ri. numeric
@attribute Sp numeric
@attribute nBT numeric
@attribute Eig15_EA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute ATS1e numeric
@attribute Chi0_EA.ri. numeric
@attribute ATS5e numeric
@attribute Chi0_EA.ed. numeric
@attribute SpMax7_Bh.i. numeric
@attribute Eig15_AEA.bo. numeric
@attribute SpMin7_Bh.i. numeric
@attribute X1 numeric
@attribute Eig10_AEA.dm. numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Eig07_EA.ri. numeric
@attribute VAR numeric
@attribute ON1 numeric
@attribute TIC1 numeric
@attribute SpMin7_Bh.p. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Se numeric
@attribute Xu numeric
@attribute SpMin8_Bh.v. numeric
@attribute Eig07_AEA.ri. numeric
@attribute CID numeric
@attribute Eig15_EA numeric
@attribute SM09_AEA.dm. numeric
@attribute SpMin8_Bh.p. numeric
@attribute ATS4p numeric
@attribute ATS1v numeric
@attribute TIC2 numeric
@attribute ATS3v numeric
@attribute Chi1_EA.ed. numeric
@attribute Eig15_EA.bo. numeric
@attribute ATSC5p numeric
@attribute X0 numeric
@attribute SpMax7_Bh.v. numeric
@attribute ATS2i numeric
@attribute Psi_e_0 numeric
@attribute ATSC4p numeric
@attribute Eig08_AEA.bo. numeric
@attribute Psi_i_1 numeric
@attribute ATS5i numeric
@attribute Si numeric
@attribute SpAD_EA numeric
@attribute pXC50 numeric

@data
{1 2.687,2 88.885,3 105.742,4 13.152,5 4.368,6 187.143,7 448.389,8 25.295,9 1.107,10 204.574,11 17,12 13.464,13 0.886,14 204.574,15 3.969,16 30.037,17 18.812,18 200.574,19 2.854,20 15.642,21 31.387,22 46,23 -1.096,24 -1.096,25 3.876,26 18.876,27 4.601,28 10.837,29 2.925,30 0.965,31 0.821,32 13.114,33 1,34 18.361,35 18.361,36 18.361,37 18.361,38 18.361,39 1.403,40 102,41 5.889,42 143.581,43 1.062,44 1.137,45 43.407,46 25.663,47 1.107,48 2.455,49 4.038,50 -0.453,51 -0.453,52 1.062,53 3.95,54 3.514,55 177.355,56 3.931,57 5.164,58 -0.594,59 7.981,60 18.803,61 2.715,62 4.468,63 9.975,64 7.928,65 2.727,66 15.524,67 4.819,68 47.87,69 45.393,70 5.1}
{0 CHEMBL101253,1 2.687,2 78.749,3 100.976,4 12.314,5 18.364,6 176.352,7 422.06,8 23.142,9 1.107,10 192.877,11 15.75,12 12.582,13 0.886,14 194.877,15 3.913,16 28.074,17 17.582,18 188.877,19 2.854,20 14.462,21 29.449,22 43,23 -1.455,24 -1.455,25 3.803,26 17.698,27 4.451,28 10.512,29 2.925,30 0.889,31 0.821,32 12.293,33 1,34 17.361,35 17.361,36 17.361,37 17.361,38 17.361,39 1.355,40 97,41 5.5,42 128.638,43 1.062,44 1.014,45 40.033,46 24.261,47 1.066,48 2.382,49 3.972,50 -0.583,51 -0.583,52 1.044,53 3.84,54 3.437,55 163.658,56 3.861,57 5.06,58 -0.833,59 6.324,60 17.062,61 2.715,62 4.398,63 9.15,64 7.228,65 2.777,66 14.353,67 4.676,68 44.428,69 41.266,70 5.2}
{0 CHEMBL101311,1 2.918,2 96.607,3 120.009,4 14.595,5 29.83,6 222.313,7 534.203,8 38.142,9 1.286,10 274.07,11 20,12 14.962,13 0.942,14 274.07,15 4.188,16 34.46,17 20.755,18 272.07,19 3,20 17.215,21 36.267,22 55,23 -0.444,24 -0.444,25 4.07,26 20.591,27 4.723,28 11.886,29 3.067,30 1.106,31 0.881,32 14.385,33 1.238,34 19.825,35 19.825,36 19.825,37 19.825,38 19.825,39 1.654,40 148,41 6.611,42 198.997,43 1.239,44 1.307,45 53.647,46 29.209,47 1.192,48 2.79,49 4.121,50 -0.176,51 -0.176,52 1.191,53 3.997,54 3.57,55 248.07,56 3.983,57 5.741,58 -0.214,59 8.852,60 21.51,61 2.853,62 4.741,63 11.009,64 10.588,65 2.845,66 16.199,67 4.934,68 59.95,69 46.635,70 5.4}
{0 CHEMBL103667,1 3.166,2 117.51,3 153.448,4 18.5,5 36.989,6 284.925,7 686.977,8 51.546,9 1.584,10 402.803,11 25.25,12 18.775,13 1.353,14 404.803,15 4.543,16 46.68,17 28.075,18 390.539,19 3.427,20 22.217,21 49.574,22 80,23 2.275,24 2.275,25 4.416,26 26.724,27 5.289,28 15.44,29 3.478,30 2.387,31 1.295,32 18.775,33 2.025,34 26.126,35 26.126,36 26.126,37 26.126,38 26.126,39 2.068,40 229,41 8.389,42 266.431,43 1.576,44 2.471,45 75.629,46 35.501,47 1.472,48 3.117,49 4.396,50 1,51 1,52 1.464,53 4.494,54 3.899,55 348.22,56 4.408,57 7.396,58 1.337,59 14.355,60 27.407,61 3.213,62 5.161,63 14.458,64 16.419,65 3.333,66 23.074,67 5.537,68 85.763,69 64.651,70 5.1}
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{0 CHEMBL1966703,1 2.7,2 70.991,3 93.552,4 11.319,5 19.011,6 168.537,7 402.99,8 14.743,9 1.259,10 213.95,11 15,12 10.961,13 0.934,14 213.95,15 4.014,16 27.904,17 17.089,18 211.95,19 2.938,20 13.709,21 29.262,22 47,23 -1.735,24 -1.735,25 3.893,26 15.94,27 4.826,28 8.837,29 3.033,30 0.527,31 0.823,32 11.372,33 0.994,34 15.723,35 15.723,36 15.723,37 15.723,38 15.723,39 1.56,40 62,41 4.972,42 164.912,43 1.237,44 0.642,45 44.098,46 22.177,47 1.227,48 2.594,49 3.92,50 -0.664,51 -0.664,52 1.193,53 4.147,54 3.437,55 199.95,56 4.052,57 4.193,58 -0.759,59 9.332,60 17.06,61 2.734,62 4.618,63 8.966,64 12.134,65 2.859,66 14.933,67 5.023,68 49.781,69 41.684,70 5.9}
{0 CHEMBL1966722,1 2.687,2 89.438,3 114.116,4 13.914,5 18.538,6 205.667,7 493.588,8 26.306,9 1.107,10 208.084,11 16.75,12 14.074,13 0.886,14 208.084,15 4.032,16 31.723,17 19.141,18 202.574,19 2.854,20 15.432,21 33.523,22 48,23 -1.571,24 -1.571,25 3.926,26 19.11,27 4.748,28 11.263,29 2.925,30 0.719,31 0.821,32 13.497,33 1.102,34 18.747,35 18.747,36 18.747,37 18.747,38 18.747,39 1.514,40 130,41 6.25,42 138.723,43 1.062,44 1.394,45 46.429,46 26.797,47 1.107,48 2.555,49 4.053,50 -0.656,51 -0.656,52 1.062,53 4.021,54 3.52,55 169.271,56 3.985,57 5.32,58 -0.798,59 9.897,60 19.985,61 2.715,62 4.49,63 10.359,64 9.83,65 2.781,66 15.264,67 4.928,68 51.099,69 44.291,70 5.9}
{0 CHEMBL1966808,1 2.614,2 74.78,3 86.049,4 11.167,5 15.889,6 152.96,7 364.983,8 16.628,9 1.107,10 170.117,11 16,12 11.718,13 0.886,14 170.117,15 3.858,16 25.116,17 16.479,18 166.117,19 2.854,20 14.111,21 26.176,22 40,23 -2.062,24 -2.062,25 3.753,26 16.512,27 4.299,28 9.406,29 2.925,30 0.5,31 0.821,32 11.31,33 1.033,34 16.085,35 16.085,36 16.085,37 16.085,38 16.085,39 1.373,40 71,41 4.861,42 142.117,43 1.063,44 0.754,45 36.447,46 21.917,47 1.034,48 2.417,49 3.909,50 -0.756,51 -0.756,52 1.062,53 3.817,54 3.362,55 160.117,56 3.839,57 4.519,58 -0.908,59 5.17,60 15.389,61 2.715,62 4.442,63 8.516,64 7.496,65 2.5,66 14.439,67 4.497,68 40.282,69 41.942,70 5.9}
{0 CHEMBL1966816,1 2.539,2 76.426,3 80.387,4 11.076,5 17.805,6 151.687,7 361.877,8 18.806,9 0.961,10 174.77,11 16.75,12 10.22,13 0.7,14 174.77,15 3.818,16 24.968,17 16.185,18 170.77,19 2.765,20 14.284,21 24.034,22 37,23 -1.965,24 -1.965,25 3.717,26 16.778,27 4.343,28 9.446,29 2.84,30 0.671,31 0.642,32 11.842,33 1.189,34 16.264,35 16.264,36 16.264,37 16.264,38 16.264,39 1.402,40 70,41 5.333,42 125.119,43 0.969,44 0.882,45 37.203,46 24.24,47 0.859,48 2.456,49 3.944,50 -0.741,51 -0.741,52 0.828,53 3.524,54 3.291,55 149.119,56 3.688,57 4.471,58 -0.973,59 4.989,60 18.027,61 2.572,62 4.337,63 9.772,64 5.658,65 2.832,66 12.956,67 4.527,68 40.637,69 40.627,70 5.9}
{0 CHEMBL1966842,1 3.269,2 135.411,3 170.744,4 20.8,5 29.512,6 302.802,7 730.598,8 61.378,9 1.603,10 425.235,11 28.75,12 21.416,13 1.403,14 425.235,15 4.525,16 49.088,17 30.425,18 416.48,19 3.463,20 25.065,21 51.733,22 79,23 2.616,24 2.616,25 4.409,26 30.343,27 5.197,28 17.565,29 3.497,30 2.654,31 1.371,32 20.962,33 2.149,34 29.488,35 29.488,36 29.488,37 29.488,38 29.488,39 2.221,40 269,41 9.417,42 282.533,43 1.62,44 2.797,45 74.047,46 38.153,47 1.529,48 3.278,49 4.501,50 1.172,51 1.172,52 1.507,53 4.493,54 3.964,55 370.374,56 4.417,57 8.362,58 1.725,59 13.793,60 29.761,61 3.294,62 5.078,63 15.848,64 15.08,65 3.479,66 24.778,67 5.389,68 82.809,69 71.198,70 5.5}
{0 CHEMBL1967094,1 2.687,2 82.419,3 102.768,4 12.581,5 9.346,6 178.02,7 426.13,8 24.256,9 1.107,10 188.131,11 15.5,12 12.9,13 0.886,14 188.131,15 3.884,16 27.954,17 17.536,18 185.376,19 2.854,20 14.556,21 29.546,22 42,23 -1.647,24 -1.647,25 3.789,26 17.555,27 4.344,28 10.174,29 2.925,30 0.728,31 0.821,32 12.204,33 1.008,34 17.154,35 17.154,36 17.154,37 17.154,38 17.154,39 1.344,40 104,41 5.444,42 135.692,43 1.062,44 1.096,45 39.334,46 24.608,47 1.107,48 2.374,49 3.966,50 -0.709,51 -0.709,52 1.062,53 3.776,54 3.445,55 160.157,56 3.815,57 4.879,58 -0.988,59 7.177,60 17.225,61 2.715,62 4.374,63 9.201,64 7.617,65 2.698,66 14.542,67 4.546,68 43.06,69 42.056,70 5.9}
{0 CHEMBL1967302,1 2.811,2 91.055,3 115.32,4 14.267,5 17.176,6 206.988,7 496.811,8 30.009,9 1.274,10 288.423,11 19.5,12 14.653,13 1.049,14 288.423,15 4.184,16 34.256,17 21.32,18 286.423,19 3.017,20 17.289,21 35.784,22 56,23 1.072,24 1.072,25 4.068,26 20.896,27 4.792,28 12.155,29 3.076,30 1.643,31 0.997,32 14.653,33 1.546,34 20.618,35 20.618,36 20.618,37 20.618,38 20.618,39 1.796,40 122,41 6.444,42 200.718,43 1.263,44 1.688,45 52.014,46 28.881,47 1.188,48 2.814,49 4.153,50 0.409,51 0.409,52 1.184,53 4.11,54 3.637,55 260.423,56 4.09,57 5.831,58 0.489,59 9.979,60 20.501,61 2.851,62 4.727,63 11.077,64 11.127,65 3.045,66 18.046,67 5.024,68 58.149,69 51.432,70 5.9}
{0 CHEMBL1967336,1 2.527,2 68.32,3 72.845,4 9.905,5 14.978,6 136.901,7 325.797,8 15.537,9 0.855,10 153.58,11 15.25,12 9.826,13 0.657,14 153.58,15 3.708,16 22.169,17 14.454,18 151.58,19 2.7,20 12.555,21 21.642,22 33,23 -2.273,24 -2.273,25 3.6,26 15.195,27 4.151,28 8.872,29 2.757,30 0.5,31 0.617,32 10.631,33 0.735,34 14.792,35 14.792,36 14.792,37 14.792,38 14.792,39 1.321,40 72,41 4.833,42 108.419,43 0.875,44 0.551,45 32.513,46 21.636,47 0.828,48 2.346,49 3.828,50 -1,51 -1,52 0.825,53 3.372,54 3.171,55 134.825,56 3.548,57 4.254,58 -1.308,59 4.063,60 15.527,61 2.571,62 4.17,63 8.137,64 4.423,65 2.689,66 11.414,67 4.334,68 35.626,69 35.411,70 5.2}
{0 CHEMBL1967513,1 2.636,2 78.635,3 84.976,4 11.505,5 17.779,6 158.822,7 379.286,8 19.139,9 0.966,10 174.77,11 16.75,12 10.903,13 0.697,14 174.77,15 3.809,16 25.412,17 16.325,18 172.77,19 2.758,20 14.461,21 24.955,22 37,23 -1.966,24 -1.966,25 3.712,26 16.813,27 4.33,28 9.425,29 2.828,30 0.669,31 0.647,32 11.826,33 1.065,34 16.212,35 16.212,36 16.212,37 16.212,38 16.212,39 1.377,40 70,41 5.306,42 125.119,43 0.959,44 0.797,45 37.014,46 24.256,47 0.818,48 2.429,49 3.944,50 -0.743,51 -0.743,52 0.787,53 3.588,54 3.307,55 151.119,56 3.711,57 4.504,58 -1,59 5.217,60 18.027,61 2.604,62 4.327,63 9.702,64 5.827,65 2.873,66 13.06,67 4.508,68 40.242,69 40.635,70 5.2}
{0 CHEMBL1967531,1 2.687,2 83.353,3 104.575,4 12.667,5 14.885,6 180.349,7 431.811,8 24.769,9 1.107,10 197.66,11 17,12 13.158,13 0.886,14 199.66,15 3.955,16 28.643,17 18.011,18 188.905,19 2.869,20 15.034,21 29.938,22 44,23 -0.775,24 -0.775,25 3.843,26 18.29,27 4.491,28 10.671,29 2.942,30 1.042,31 0.821,32 12.704,33 1,34 17.861,35 17.861,36 17.861,37 17.861,38 17.861,39 1.431,40 100,41 5.694,42 137.077,43 1.062,44 1.174,45 41.331,46 25.535,47 1.107,48 2.461,49 4.004,50 -0.338,51 -0.338,52 1.062,53 3.88,54 3.453,55 168.375,56 3.854,57 5.095,58 -0.448,59 8.062,60 17.933,61 2.715,62 4.407,63 9.534,64 7.659,65 2.846,66 14.679,67 4.694,68 45.697,69 43.087,70 5.9}
{0 CHEMBL1967544,1 3.225,2 115.877,3 145.007,4 17.5,5 16.804,6 257.428,7 619.884,8 36.093,9 1.533,10 351.059,11 23,12 18.185,13 1.35,14 351.059,15 4.351,16 41.518,17 25.494,18 344.304,19 3.368,20 20.427,21 43.961,22 67,23 1.926,24 1.926,25 4.242,26 24.841,27 5.242,28 14.291,29 3.427,30 2.18,31 1.294,32 17.396,33 1.562,34 24.402,35 24.402,36 24.402,37 24.402,38 24.402,39 1.618,40 170,41 7.861,42 216.692,43 1.516,44 2.488,45 62.96,46 32.443,47 1.485,48 2.655,49 4.321,50 0.801,51 0.801,52 1.458,53 4.531,54 3.814,55 292.25,56 4.389,57 6.608,58 1.069,59 16.307,60 25.286,61 3.215,62 4.923,63 13.637,64 16.45,65 3.118,66 21.386,67 5.432,68 70.398,69 60.877,70 5.9}
{0 CHEMBL1967560,1 3.054,2 116.637,3 147.504,4 17.7,5 45.066,6 275.721,7 664.518,8 45.526,9 1.614,10 413.823,11 26.5,12 18.389,13 1.331,14 413.823,15 4.568,16 45.218,17 27.473,18 413.823,19 3.337,20 21.611,21 47.83,22 80,23 1.372,24 1.372,25 4.426,26 26.57,27 5.403,28 14.896,29 3.422,30 1.992,31 1.264,32 18.389,33 1.938,34 25.825,35 25.825,36 25.825,37 25.825,38 25.825,39 2.018,40 224,41 8.417,42 267.823,43 1.622,44 2,45 76.05,46 34.488,47 1.57,48 3.1,49 4.37,50 0.66,51 0.66,52 1.568,53 4.502,54 3.849,55 376.539,56 4.407,57 6.879,58 0.786,59 14.459,60 26.811,61 3.092,62 5.239,63 14.167,64 13.899,65 3.096,66 22.958,67 5.64,68 86.843,69 62.777,70 5.9}
{0 CHEMBL1967564,1 2.266,2 57.953,3 69.818,4 8.933,5 8.052,6 133.565,7 317.658,8 14.022,9 0.995,10 157.71,11 12.25,12 9.275,13 0.74,14 157.71,15 3.743,16 21.434,17 13.321,18 155.71,19 2.642,20 10.608,21 22.284,22 35,23 -3.502,24 -3.502,25 3.614,26 13.244,27 4.104,28 7.893,29 2.765,30 0.028,31 0.689,32 9.275,33 0.306,34 13.093,35 13.093,36 13.093,37 13.093,38 13.093,39 1.094,40 63,41 4.25,42 119.594,43 0.976,44 0.453,45 33.153,46 18.844,47 0.808,48 2.098,49 3.693,50 -1.397,51 -1.397,52 0.794,53 3.443,54 3.153,55 144.1,56 3.518,57 3.701,58 -1.827,59 3.863,60 13.242,61 2.381,62 4.284,63 6.995,64 4.696,65 2.129,66 10.837,67 4.313,68 37.279,69 31.207,70 5.9}
{0 CHEMBL1967720,1 2.999,2 118.191,3 146.818,4 18.086,5 24.903,6 259.695,7 625.415,8 54.155,9 1.407,10 337.65,11 24.5,12 18.189,13 1.197,14 339.65,15 4.366,16 41.891,17 26.064,18 332.896,19 3.257,20 21.479,21 43.387,22 66,23 2.275,24 2.275,25 4.247,26 25.554,27 5.095,28 14.293,29 3.307,30 2.423,31 1.169,32 18.129,33 2.019,34 25.081,35 25.081,36 25.081,37 25.081,38 25.081,39 2.01,40 210,41 8.083,42 251.121,43 1.457,44 2.5,45 62.909,46 34.897,47 1.357,48 3.059,49 4.366,50 1,51 1,52 1.357,53 4.422,54 3.813,55 304.896,56 4.329,57 6.738,58 1.351,59 14.463,60 27.026,61 3.094,62 4.869,63 14.036,64 13.462,65 3.462,66 21.623,67 5.316,68 69.903,69 64.213,70 7.4}
{0 CHEMBL1967878,1 2.954,2 99.993,3 130.054,4 15.419,5 36.662,6 233.355,7 561.146,8 35.609,9 1.491,10 343.059,11 22.75,12 15.474,13 1.22,14 343.059,15 4.391,16 38.569,17 23.691,18 339.059,19 3.172,20 19.1,21 40.569,22 67,23 0.927,24 0.927,25 4.249,26 22.605,27 5.169,28 12.68,29 3.274,30 1.613,31 1.145,32 15.885,33 1.957,34 22.118,35 22.118,36 22.118,37 22.118,38 22.118,39 1.918,40 168,41 7.028,42 243.111,43 1.467,44 2,45 63.156,46 30.921,47 1.476,48 2.968,49 4.235,50 0.378,51 0.378,52 1.436,53 4.324,54 3.723,55 319.549,56 4.254,57 6.035,58 0.446,59 12.371,60 23.112,61 2.947,62 5.032,63 12.314,64 13.441,65 3.074,66 20.458,67 5.435,68 72.02,69 56.306,70 7.6}
{0 CHEMBL1967887,1 2.536,2 61.321,3 78.057,4 9.433,5 7.63,6 143.157,7 341.063,8 14.19,9 1.015,10 175.362,11 12.75,12 9.775,13 0.778,14 175.362,15 3.827,16 22.961,17 14.052,18 175.362,19 2.8,20 11.305,21 24.046,22 38,23 -2.664,24 -2.664,25 3.697,26 14.096,27 4.266,28 8.337,29 2.888,30 0.192,31 0.7,32 9.775,33 0.704,34 13.801,35 13.801,36 13.801,37 13.801,38 13.801,39 1.162,40 72,41 4.5,42 134.201,43 0.984,44 0.586,45 36.036,46 19.864,47 1.002,48 2.172,49 3.741,50 -1.168,51 -1.168,52 0.975,53 3.619,54 3.212,55 165.362,56 3.605,57 3.923,58 -1.448,59 5.719,60 13.949,61 2.598,62 4.355,63 7.325,64 6.077,65 2.432,66 11.274,67 4.501,68 40.694,69 32.576,70 5.9}
{0 CHEMBL1967992,1 2.687,2 66.495,3 89.581,4 10.7,5 11.326,6 159.026,7 379.784,8 18,9 1.107,10 174.75,11 13.25,12 10.865,13 0.886,14 174.75,15 3.805,16 25.225,17 15.425,18 171.995,19 2.854,20 12.029,21 26.586,22 39,23 -2.347,24 -2.347,25 3.691,26 15.56,27 4.367,28 9.473,29 2.925,30 0.551,31 0.821,32 10.865,33 1,34 15.422,35 15.422,36 15.422,37 15.422,38 15.422,39 1.121,40 72,41 5.056,42 110.511,43 1.062,44 0.61,45 36.607,46 21.815,47 1.061,48 2.133,49 3.834,50 -0.924,51 -0.924,52 1.025,53 3.739,54 3.321,55 142.776,56 3.721,57 4.446,58 -1.399,59 6.802,60 15.2,61 2.715,62 4.288,63 8.045,64 7.014,65 2.582,66 12.285,67 4.616,68 40.986,69 34.757,70 5.2}
{0 CHEMBL1967998,1 2.869,2 101.041,3 130.001,4 15.414,5 32.595,6 227.841,7 547.691,8 38.602,9 1.429,10 297.72,11 22.25,12 15.963,13 1.153,14 297.72,15 4.3,16 36.74,17 22.887,18 290.11,19 3.111,20 18.889,21 38.756,22 61,23 0.919,24 0.919,25 4.162,26 22.825,27 4.977,28 12.98,29 3.206,30 1.632,31 1.064,32 15.674,33 1.534,34 22.143,35 22.143,36 22.143,37 22.143,38 22.143,39 1.784,40 176,41 7,42 209.069,43 1.376,44 1.962,45 57.091,46 30.614,47 1.3,48 2.898,49 4.214,50 0.503,51 0.503,52 1.316,53 4.212,54 3.668,55 253.239,56 4.138,57 6.13,58 0.544,59 11.779,60 21.916,61 2.91,62 4.886,63 11.768,64 11.81,65 3.034,66 18.877,67 5.263,68 64.667,69 53.479,70 6.4}
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{0 CHEMBL1968406,1 2.935,2 94.384,3 122.323,4 14.667,5 24.231,6 211.325,7 507.392,8 30.72,9 1.29,10 272.539,11 19.5,12 15.027,13 1.103,14 274.539,15 4.166,16 34.223,17 21.37,18 266.539,19 3.12,20 17.475,21 36.222,22 55,23 0.196,24 0.196,25 4.048,26 21.047,27 4.849,28 11.997,29 3.18,30 1.311,31 1.068,32 14.619,33 1.374,34 20.627,35 20.627,36 20.627,37 20.627,38 20.627,39 1.756,40 134,41 6.5,42 194.358,43 1.284,44 1.584,45 50.982,46 28.47,47 1.187,48 2.821,49 4.153,50 0.07,51 0.07,52 1.173,53 4.231,54 3.643,55 237.378,56 4.153,57 5.656,58 0.082,59 10.806,60 20.665,61 2.977,62 4.707,63 11.077,64 11.534,65 3.139,66 18.118,67 5.066,68 56.943,69 51.185,70 5.9}
{0 CHEMBL1968590,1 2.799,2 86.287,3 110.681,4 13.1,5 9.945,6 187.613,7 449.535,8 24.272,9 1.21,10 214.968,11 16.5,12 13.425,13 0.905,14 214.968,15 3.957,16 29.335,17 18.252,18 214.968,19 2.968,20 15.121,21 31.341,22 45,23 -1.257,24 -1.257,25 3.856,26 18.184,27 4.508,28 10.12,29 3.048,30 0.918,31 0.864,32 12.563,33 1.094,34 17.61,35 17.61,36 17.61,37 17.61,38 17.61,39 1.569,40 107,41 5.667,42 169.051,43 1.209,44 1.311,45 42.189,46 24.861,47 1.133,48 2.646,49 4,50 -0.469,51 -0.469,52 1.106,53 4.043,54 3.49,55 208.213,56 3.933,57 4.735,58 -0.611,59 9.123,60 18.259,61 2.783,62 4.462,63 9.559,64 8.628,65 3.007,66 15.135,67 4.692,68 46.534,69 43.938,70 6.2}
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{0 CHEMBL1968705,1 3.152,2 122.528,3 154.244,4 18.967,5 29.259,6 281.269,7 678.056,8 57.585,9 1.598,10 419.102,11 26.5,12 19.64,13 1.345,14 419.102,15 4.522,16 46.428,17 28.787,18 417.102,19 3.393,20 23.127,21 48.847,22 78,23 2.372,24 2.372,25 4.394,26 28.294,27 5.124,28 16.696,29 3.462,30 2.395,31 1.296,32 19.64,33 1.631,34 27.781,35 27.781,36 27.781,37 27.781,38 27.781,39 2.121,40 242,41 8.778,42 277.609,43 1.647,44 2.466,45 72.854,46 36.027,47 1.539,48 3.181,49 4.436,50 1,51 1,52 1.556,53 4.373,54 3.914,55 368.863,56 4.351,57 7.962,58 1.359,59 12.796,60 27.313,61 3.206,62 5.116,63 14.803,64 13.328,65 3.414,66 23.951,67 5.346,68 82.305,69 66.583,70 5.4}
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{0 CHEMBL1968868,1 2.639,2 79.041,3 85.909,4 11.69,5 19.502,6 161.021,7 384.651,8 24.036,9 1.089,10 181.362,11 17.25,12 11.152,13 0.848,14 181.362,15 3.834,16 26.079,17 16.872,18 179.362,19 2.941,20 14.647,21 25.341,22 38,23 -1.646,24 -1.646,25 3.734,26 17.561,27 4.364,28 9.925,29 3.006,30 0.784,31 0.8,32 12.364,33 1.242,34 17.082,35 17.082,36 17.082,37 17.082,38 17.082,39 1.547,40 102,41 5.639,42 131.711,43 1.109,44 1,45 37.909,46 25.204,47 0.969,48 2.594,49 3.982,50 -0.723,51 -0.723,52 0.956,53 3.617,54 3.332,55 157.711,56 3.749,57 4.649,58 -1,59 5.098,60 18.734,61 2.768,62 4.34,63 10.001,64 6.056,65 2.904,66 13.426,67 4.554,68 41.381,69 41.714,70 5.2}
{0 CHEMBL1969042,1 2.687,2 81.633,3 102.468,4 12.7,5 15.957,6 182.806,7 437.807,8 24.798,9 1.107,10 200.705,11 16.75,12 13.097,13 0.886,14 209.46,15 4.015,16 29.896,17 18.524,18 184.441,19 2.89,20 15.257,21 30.71,22 47,23 -0.598,24 -0.598,25 3.916,26 18.554,27 4.589,28 10.76,29 2.925,30 1.062,31 0.821,32 13.097,33 1,34 18.309,35 18.309,36 18.309,37 18.309,38 18.309,39 1.759,40 112,41 5.861,42 133.156,43 1.066,44 1.204,45 44.473,46 25.598,47 1.107,48 2.801,49 4.038,50 -0.271,51 -0.271,52 1.062,53 3.917,54 3.493,55 157.421,56 3.913,57 5.159,58 -0.343,59 7.059,60 18.803,61 2.715,62 4.443,63 9.896,64 8.01,65 2.695,66 15.203,67 4.8,68 49.03,69 44.834,70 5.9}
{0 CHEMBL1969049,1 2.687,2 78.079,3 103.05,4 12.467,5 15.446,6 191.929,7 460.066,8 24.533,9 1.281,10 245.814,11 15.75,12 12.58,13 1.034,14 245.814,15 4.055,16 30.74,17 18.31,18 243.814,19 3.069,20 14.067,21 32.534,22 50,23 -1.456,24 -1.456,25 3.941,26 17.866,27 4.823,28 10.424,29 3.132,30 0.755,31 0.985,32 12.58,33 1.097,34 17.577,35 17.577,36 17.577,37 17.577,38 17.577,39 1.44,40 98,41 5.861,42 159.521,43 1.281,44 0.842,45 47.694,46 25.397,47 1.107,48 2.454,49 3.984,50 -0.657,51 -0.657,52 1.062,53 4.06,54 3.494,55 217.284,56 3.964,57 4.855,58 -0.876,59 11.017,60 18.518,61 2.894,62 4.606,63 9.578,64 10.324,65 2.725,66 14.547,67 5.056,68 53.567,69 41.264,70 5.9}
{0 CHEMBL1969126,1 2.762,2 86.181,3 100.768,4 12.905,5 9.58,6 176.74,7 423.007,8 22.102,9 1.308,10 215.82,11 19,12 12.72,13 1.038,14 215.82,15 4.03,16 29.749,17 19.296,18 213.82,19 2.903,20 16.484,21 29.926,22 47,23 -0.116,24 -0.116,25 3.925,26 19.329,27 4.621,28 10.767,29 3.009,30 1.285,31 0.957,32 13.525,33 1.364,34 18.947,35 18.947,36 18.947,37 18.947,38 18.947,39 1.566,40 102,41 5.917,42 166.168,43 1.301,44 1.674,45 44.163,46 25.919,47 1.281,48 2.635,49 4.083,50 -0.047,51 -0.047,52 1.239,53 3.962,54 3.493,55 196.31,56 3.96,57 5.082,58 -0.061,59 7.254,60 19.413,61 2.75,62 4.583,63 10.379,64 7.308,65 2.954,66 16.285,67 4.793,68 48.872,69 49.612,70 5.9}
{0 CHEMBL1969151,1 2.866,2 81.637,3 106.784,4 12.614,5 17.604,6 192.058,7 460.382,8 22.692,9 1.349,10 237.611,11 18,12 12.886,13 1.081,14 237.611,15 4.134,16 30.697,17 18.793,18 229.611,19 3.093,20 15.305,21 32.745,22 52,23 -1.432,24 -1.432,25 3.995,26 18.161,27 4.867,28 10.328,29 3.183,30 0.769,31 0.998,32 12.597,33 1.036,34 17.602,35 17.602,36 17.602,37 17.602,38 17.602,39 1.489,40 100,41 5.611,42 176.001,43 1.325,44 0.95,45 48.887,46 25.124,47 1.308,48 2.513,49 4.002,50 -0.535,51 -0.535,52 1.239,53 4.08,54 3.493,55 218.856,56 3.993,57 4.929,58 -0.639,59 10.142,60 18.096,61 2.879,62 4.765,63 9.595,64 10.451,65 2.912,66 15.766,67 5.156,68 55.671,69 43.716,70 5.2}
{0 CHEMBL1969190,1 2.821,2 92.532,3 107.307,4 13.671,5 22.454,6 191.997,7 460.233,8 30.973,9 1.158,10 229.329,11 19.75,12 13.652,13 0.93,14 231.329,15 4.077,16 31.684,17 20.088,18 224.574,19 2.951,20 16.891,21 31.591,22 49,23 -0.515,24 -0.515,25 3.978,26 20.58,27 4.715,28 11.663,29 3.016,30 1.187,31 0.904,32 14.44,33 1.531,34 20.127,35 20.127,36 20.127,37 20.127,38 20.127,39 1.681,40 110,41 6.556,42 174.27,43 1.205,44 1.317,45 47.6,46 28.679,47 1.107,48 2.787,49 4.134,50 -0.208,51 -0.208,52 1.088,53 3.948,54 3.532,55 200.045,56 3.979,57 5.468,58 -0.266,59 8.199,60 21.25,61 2.771,62 4.553,63 11.076,64 8.37,65 3.155,66 16.222,67 4.902,68 52.207,69 49.342,70 5.9}
{0 CHEMBL1969301,1 3.028,2 102.554,3 131.385,4 16.167,5 23.435,6 249.953,7 601.645,8 40.215,9 1.433,10 353.944,11 21.75,12 16.512,13 1.199,14 353.944,15 4.375,16 40.385,17 24.379,18 348.434,19 3.242,20 18.598,21 42.836,22 68,23 1.042,24 1.042,25 4.245,26 23.503,27 5.111,28 13.842,29 3.298,30 2,31 1.154,32 16.512,33 1.781,34 23.223,35 23.223,36 23.223,37 23.223,38 23.223,39 1.704,40 154,41 7.694,42 226.458,43 1.431,44 2.154,45 64.65,46 31.464,47 1.429,48 2.749,49 4.254,50 0.459,51 0.459,52 1.376,53 4.321,54 3.758,55 300.235,56 4.263,57 6.439,58 0.868,59 12.209,60 24.079,61 3.084,62 5.007,63 12.655,64 12.769,65 3.101,66 20.22,67 5.346,68 73.308,69 54.853,70 5.9}
{0 CHEMBL1969372,1 2.763,2 84.385,3 99.839,4 12.519,5 11,6 180.138,7 431.296,8 25.213,9 1.107,10 223.46,11 19,12 12.865,13 0.886,14 223.46,15 4.036,16 29.387,17 18.663,18 223.46,19 2.9,20 15.866,21 29.995,22 47,23 -0.376,24 -0.376,25 3.919,26 19.453,27 4.577,28 11.464,29 2.97,30 0.966,31 0.821,32 13.258,33 1.186,34 18.784,35 18.784,36 18.784,37 18.784,38 18.784,39 1.432,40 132,41 6.056,42 165.67,43 1.091,44 1.182,45 44.752,46 25.571,47 1.089,48 2.468,49 4.042,50 -0.214,51 -0.214,52 1.062,53 3.873,54 3.445,55 211.096,56 3.859,57 5.457,58 -0.235,59 6.394,60 18.64,61 2.752,62 4.583,63 9.916,64 6.596,65 2.72,66 14.904,67 4.782,68 50.03,69 44.383,70 5.9}
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{0 CHEMBL1969502,1 2.687,2 79.192,3 97.898,4 12.267,5 17.303,6 171.546,7 410.332,8 21.03,9 1.21,10 216.477,11 17,12 12.704,13 0.997,14 216.477,15 3.993,16 28.676,17 18.34,18 213.722,19 2.861,20 15.011,21 29.5,22 46,23 -0.913,24 -0.913,25 3.881,26 18.076,27 4.588,28 10.442,29 2.925,30 1.091,31 0.94,32 12.704,33 1.424,34 17.947,35 17.947,36 17.947,37 17.947,38 17.947,39 1.633,40 99,41 5.528,42 159.542,43 1.206,44 1.132,45 42.363,46 25.021,47 1.107,48 2.638,49 4.011,50 -0.36,51 -0.36,52 1.062,53 3.936,54 3.484,55 196.071,56 3.975,57 4.988,58 -0.461,59 7.6,60 17.673,61 2.715,62 4.5,63 9.644,64 8.365,65 3.019,66 16.053,67 4.804,68 46.903,69 45.352,70 6.5}
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{0 CHEMBL1969879,1 2.607,2 67.524,3 84.36,4 10.167,5 16.238,6 159.802,7 381.678,8 14.182,9 1.334,10 215.82,11 15.5,12 10.613,13 1.028,14 215.82,15 4.005,16 25.751,17 15.62,18 215.82,19 2.993,20 12.333,21 27.029,22 45,23 -2.46,24 -2.46,25 3.867,26 15.238,27 4.915,28 8.555,29 3.097,30 0.2,31 0.927,32 10.613,33 1,34 14.853,35 14.853,36 14.853,37 14.853,38 14.853,39 1.357,40 68,41 4.917,42 158.574,43 1.281,44 0.5,45 43.232,46 21.194,47 1.121,48 2.383,49 3.823,50 -1,51 -1,52 1.123,53 3.973,54 3.293,55 211.82,56 3.834,57 3.904,58 -1.29,59 9.451,60 15.69,61 2.763,62 4.649,63 8.151,64 8.679,65 2.5,66 12.96,67 5.19,68 49.232,69 35.919,70 5.9}
{0 CHEMBL1969942,1 2.714,2 79.233,3 97.609,4 12.219,5 13.35,6 173.214,7 414.402,8 25.982,9 1.107,10 209.66,11 16.5,12 12.276,13 0.886,14 211.66,15 3.958,16 28.345,17 17.888,18 202.15,19 2.897,20 14.729,21 28.983,22 44,23 -1.015,24 -1.015,25 3.843,26 17.981,27 4.445,28 10.539,29 2.956,30 0.886,31 0.821,32 12.67,33 1.06,34 17.756,35 17.756,36 17.756,37 17.756,38 17.756,39 1.503,40 92,41 5.639,42 127.831,43 1.068,44 1.182,45 41.549,46 25.722,47 1.078,48 2.515,49 4.004,50 -0.434,51 -0.434,52 1.062,53 3.769,54 3.442,55 164.096,56 3.834,57 5.058,58 -0.536,59 6.742,60 17.933,61 2.735,62 4.424,63 9.565,64 7.253,65 2.947,66 14.606,67 4.668,68 46.034,69 43.005,70 5.2}
{0 CHEMBL1970104,1 2.499,2 64.851,3 87.891,4 10.6,5 6.063,6 157.617,7 376.346,8 15.752,9 1.308,10 179.593,11 14,12 10.521,13 0.934,14 179.593,15 3.929,16 25.773,17 15.807,18 177.593,19 2.881,20 12.672,21 27.353,22 43,23 -2.722,24 -2.722,25 3.797,26 14.817,27 4.497,28 8.316,29 3.009,30 0.555,31 0.816,32 10.521,33 0.478,34 14.643,35 14.643,36 14.643,37 14.643,38 14.643,39 1.478,40 58,41 4.528,42 136.29,43 1.239,44 0.614,45 39.592,46 21.356,47 1.092,48 2.499,49 3.843,50 -0.935,51 -0.935,52 1.077,53 3.874,54 3.358,55 157.941,56 3.844,57 3.964,58 -1.097,59 7.203,60 15.32,61 2.738,62 4.491,63 8.097,64 8.881,65 2.817,66 13.453,67 4.77,68 44.9,69 39.148,70 5.9}
{0 CHEMBL1970142,1 3.052,2 118.844,3 151.902,4 18.3,5 26.286,6 268.089,7 645.897,8 56.593,9 1.534,10 355.189,11 24.5,12 18.788,13 1.295,14 357.189,15 4.404,16 43.034,17 26.521,18 349.189,19 3.279,20 21.33,21 45.211,22 69,23 2.175,24 2.175,25 4.28,26 26.098,27 5.107,28 14.757,29 3.352,30 2.296,31 1.222,32 18.334,33 1.944,34 25.61,35 25.61,36 25.61,37 25.61,38 25.61,39 2.097,40 240,41 8.306,42 263.605,43 1.532,44 2.5,45 65.28,46 35.027,47 1.409,48 3.127,49 4.369,50 0.889,51 0.889,52 1.381,53 4.433,54 3.834,55 331.189,56 4.324,57 6.912,58 1.208,59 14.385,60 26.811,61 3.12,62 4.93,63 14.008,64 13.528,65 3.474,66 21.752,67 5.329,68 72.979,69 62.952,70 5.9}
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{0 CHEMBL1970203,1 2.904,2 97.428,3 122.776,4 14.9,5 27.256,6 216.989,7 521.213,8 34.127,9 1.314,10 249.784,11 20.25,12 15.339,13 1.064,14 255.784,15 4.165,16 34.433,17 21.345,18 243.784,19 3.14,20 17.53,21 35.921,22 54,23 -0.445,24 -0.445,25 4.046,26 21.08,27 4.739,28 12.063,29 3.199,30 1.193,31 1.008,32 14.885,33 1.757,34 20.618,35 20.618,36 20.618,37 20.618,38 20.618,39 1.879,40 120,41 6.694,42 196.484,43 1.3,44 1.492,45 51.527,46 29.809,47 1.255,48 2.879,49 4.164,50 -0.161,51 -0.161,52 1.25,53 4.046,54 3.613,55 226.623,56 4.044,57 5.772,58 -0.202,59 8.935,60 21.957,61 2.965,62 4.657,63 11.421,64 10.026,65 3.232,66 17.238,67 4.937,68 57.235,69 50.798,70 5.9}
{0 CHEMBL1970217,1 2.687,2 78.079,3 103.05,4 12.467,5 15.446,6 191.929,7 460.066,8 25.112,9 1.315,10 245.814,11 15.75,12 12.58,13 1.077,14 245.814,15 4.055,16 30.74,17 18.31,18 241.814,19 3.143,20 14.043,21 32.534,22 50,23 -1.382,24 -1.382,25 3.941,26 17.858,27 4.799,28 10.37,29 3.19,30 0.821,31 1.04,32 12.58,33 1.109,34 17.577,35 17.577,36 17.577,37 17.577,38 17.577,39 1.361,40 98,41 5.861,42 159.521,43 1.331,44 0.854,45 47.694,46 25.485,47 1.107,48 2.378,49 3.984,50 -0.617,51 -0.617,52 1.062,53 4.042,54 3.494,55 215.284,56 3.961,57 4.805,58 -0.854,59 10.723,60 18.518,61 2.943,62 4.606,63 9.577,64 10.076,65 2.733,66 14.547,67 5.036,68 53.567,69 41.246,70 5.9}
{0 CHEMBL1970290,1 3.228,2 116.119,3 155.843,4 18.567,5 34.059,6 292.189,7 704.701,8 51.428,9 1.638,10 413.749,11 24.5,12 18.689,13 1.401,14 417.749,15 4.549,16 46.987,17 27.797,18 398.994,19 3.437,20 21.189,21 50.126,22 80,23 2.05,24 2.05,25 4.409,26 26.423,27 5.328,28 15.231,29 3.507,30 2.307,31 1.328,32 18.689,33 1.618,34 26.004,35 26.004,36 26.004,37 26.004,38 26.004,39 2.042,40 228,41 8.639,42 260.097,43 1.585,44 2.343,45 76.403,46 35.344,47 1.602,48 3.069,49 4.382,50 0.88,51 0.88,52 1.584,53 4.5,54 3.89,55 331.41,56 4.394,57 7.068,58 1.215,59 14.482,60 27.993,61 3.235,62 5.148,63 14.467,64 15.76,65 3.307,66 22.423,67 5.589,68 87.052,69 62.347,70 5.3}
{0 CHEMBL1970314,1 2.368,2 59.496,3 78.397,4 9.533,5 5.987,6 140.1,7 333.605,8 12.67,9 1.016,10 162.465,11 12.25,12 9.648,13 0.782,14 162.465,15 3.725,16 22.413,17 13.741,18 162.465,19 2.812,20 10.976,21 23.279,22 35,23 -2.618,24 -2.618,25 3.606,26 13.489,27 4.273,28 7.929,29 2.868,30 0.388,31 0.698,32 9.648,33 0.14,34 13.43,35 13.43,36 13.43,37 13.43,38 13.43,39 1.305,40 48,41 4.361,42 99.181,43 0.98,44 0.525,45 33.051,46 19.384,47 0.788,48 2.311,49 3.738,50 -1,51 -1,52 0.747,53 3.687,54 3.216,55 132.465,56 3.68,57 3.768,58 -1.524,59 5.948,60 14.113,61 2.624,62 4.164,63 7.332,64 6.165,65 2.589,66 11.252,67 4.472,68 36.78,69 33.182,70 5.9}
{0 CHEMBL1970340,1 2.085,2 51.753,3 65.672,4 7.967,5 5.319,6 114.38,7 270.847,8 8.339,9 0.801,10 126.382,11 10.75,12 8.254,13 0.472,14 126.382,15 3.544,16 18.58,17 11.617,18 122.382,19 2.48,20 9.551,21 18.966,22 29,23 -4.75,24 -4.75,25 3.451,26 11.669,27 3.992,28 6.781,29 2.572,30 -0.291,31 0.382,32 8.254,33 -0.356,34 11.569,35 11.569,36 11.569,37 11.569,38 11.569,39 1.098,40 36,41 3.694,42 85.079,43 0.792,44 -0.078,45 27.393,46 16.578,47 0.701,48 2.101,49 3.586,50 -1.716,51 -1.716,52 0.678,53 3.405,54 3.041,55 102.73,56 3.441,57 3.2,58 -2.33,59 4.171,60 11.828,61 2.23,62 3.962,63 6.208,64 4.751,65 2.146,66 9.56,67 4.175,68 30.076,69 28.82,70 4.4}
{0 CHEMBL1970352,1 2.869,2 94.275,3 113.488,4 14.043,5 15.179,6 199.322,7 478.106,8 21.811,9 1.247,10 225.624,11 16.75,12 13.89,13 0.97,14 227.624,15 4.001,16 31.224,17 19.055,18 221.624,19 3.055,20 15.645,21 33.881,22 48,23 -0.951,24 -0.951,25 3.913,26 18.817,27 4.813,28 10.639,29 3.127,30 0.979,31 0.912,32 13.024,33 1.186,34 18.267,35 18.267,36 18.267,37 18.267,38 18.267,39 1.534,40 96,41 5.944,42 161.32,43 1.24,44 1.238,45 45.105,46 24.861,47 1.107,48 2.699,49 4.035,50 -0.445,51 -0.445,52 1.062,53 4.199,54 3.537,55 199.094,56 4.08,57 4.937,58 -0.586,59 9.963,60 19.129,61 2.868,62 4.542,63 10.006,64 10.436,65 2.935,66 15.841,67 4.953,68 49.584,69 45.543,70 5.9}
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{0 CHEMBL1970709,1 2.687,2 71.986,3 84.964,4 10.767,5 13.592,6 152.143,7 362.99,8 16.186,9 1.094,10 162.974,11 13.25,12 10.781,13 0.854,14 162.974,15 3.771,16 23.46,17 14.577,18 162.974,19 2.854,20 11.94,21 24.637,22 36,23 -2.583,24 -2.583,25 3.651,26 14.564,27 4.116,28 8.517,29 2.925,30 0.496,31 0.808,32 10.204,33 0.655,34 14.24,35 14.24,36 14.24,37 14.24,38 14.24,39 1.06,40 73,41 4.611,42 122.567,43 1.062,44 0.5,45 34.382,46 21.359,47 0.913,48 2.067,49 3.785,50 -1,51 -1,52 0.892,53 3.495,54 3.233,55 147.322,56 3.593,57 4.1,58 -1.464,59 5.039,60 14.656,61 2.715,62 4.255,63 7.699,64 6.494,65 2.5,66 11.671,67 4.361,68 38.12,69 33.765,70 5.9}
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{0 CHEMBL1978371,1 2.86,2 92.263,3 118.329,4 14.781,5 13.617,6 212.734,7 510.831,8 26.667,9 1.107,10 234.078,11 17.5,12 14.885,13 0.886,14 240.078,15 4.036,16 34.02,17 20.935,18 220.568,19 2.916,20 16.392,21 35.625,22 51,23 -0.161,24 -0.161,25 3.952,26 20.641,27 4.921,28 12.171,29 2.942,30 1.474,31 0.849,32 14.597,33 1.47,34 20.543,35 20.543,36 20.543,37 20.543,38 20.543,39 1.669,40 110,41 6.722,42 147.472,43 1.062,44 2.42,45 48.033,46 27.495,47 1.107,48 2.674,49 4.136,50 -0.072,51 -0.072,52 1.062,53 4.267,54 3.638,55 183.265,56 4.185,57 5.679,58 -0.092,59 11.721,60 21.087,61 2.795,62 4.562,63 11.186,64 11.258,65 3.113,66 17.599,67 5.096,68 52.598,69 49.17,70 5.6}
{0 CHEMBL1978448,1 2.419,2 77.572,3 86.96,4 11.033,5 23.193,6 160.612,7 383.654,8 15.618,9 1.237,10 194.122,11 15.5,12 11.826,13 0.994,14 194.122,15 3.921,16 26.083,17 16.363,18 194.122,19 2.848,20 13.315,21 27.358,22 43,23 -3,24 -3,25 3.824,26 15.402,27 4.711,28 8.504,29 2.912,30 0.476,31 0.926,32 10.932,33 0.847,34 15.143,35 15.143,36 15.143,37 15.143,38 15.143,39 1.335,40 55,41 4.722,42 146.538,43 1.237,44 0.694,45 40.549,46 22.087,47 1.092,48 2.339,49 3.869,50 -1,51 -1,52 1.076,53 3.958,54 3.375,55 182.513,56 3.846,57 4.037,58 -1,59 10.089,60 16.19,61 2.719,62 4.528,63 8.723,64 9.514,65 2.339,66 14.476,67 4.941,68 44.95,69 40.399,70 5.5}
{0 CHEMBL1978562,1 2.663,2 74.568,3 87.611,4 11.333,5 8.131,6 151.286,7 360.897,8 15.479,9 1.152,10 155.245,11 15,12 11.23,13 0.947,14 155.245,15 3.723,16 23.713,17 15.285,18 155.245,19 2.773,20 13.132,21 24.665,22 35,23 -2.528,24 -2.528,25 3.62,26 15.449,27 4.239,28 8.533,29 2.863,30 0.618,31 0.872,32 10.652,33 0.809,34 14.989,35 14.989,36 14.989,37 14.989,38 14.989,39 1.415,40 66,41 4.722,42 129.735,43 1.125,44 0.761,45 32.389,46 21.196,47 0.952,48 2.455,49 3.845,50 -0.84,51 -0.84,52 0.909,53 3.756,54 3.275,55 147.245,56 3.732,57 4.011,58 -1.23,59 5.831,60 15.267,61 2.542,62 4.237,63 8.038,64 5.481,65 2.907,66 12.774,67 4.444,68 35.579,69 38.525,70 5.2}
{0 CHEMBL1978567,1 2.687,2 79.57,3 99.108,4 12.2,5 15.446,6 184.004,7 440.731,8 21.872,9 1.166,10 217.95,11 15.75,12 12.488,13 0.927,14 217.95,15 3.98,16 28.895,17 17.505,18 217.95,19 2.997,20 13.993,21 30.665,22 46,23 -1.458,24 -1.458,25 3.874,26 17.378,27 4.633,28 9.983,29 3.062,30 0.647,31 0.866,32 12.08,33 1.016,34 16.87,35 16.87,36 16.87,37 16.87,38 16.87,39 1.326,40 91,41 5.611,42 163.486,43 1.149,44 0.766,45 44.105,46 24.414,47 1.107,48 2.345,49 3.945,50 -0.698,51 -0.698,52 1.062,53 3.955,54 3.434,55 204.441,56 3.848,57 4.663,58 -0.879,59 9.409,60 17.811,61 2.824,62 4.529,63 9.212,64 10.024,65 2.532,66 13.895,67 4.844,68 49.155,69 40.296,70 5.2}
{0 CHEMBL1979057,1 2.696,2 78.912,3 100.096,4 12.433,5 17.232,6 174.215,7 416.844,8 22.769,9 1.161,10 216.477,11 17.25,12 12.776,13 0.958,14 216.477,15 3.987,16 28.961,17 18.419,18 205.722,19 2.912,20 15.191,21 30.046,22 46,23 -1.089,24 -1.089,25 3.874,26 18.308,27 4.517,28 10.589,29 2.978,30 0.983,31 0.902,32 12.776,33 1.327,34 18.102,35 18.102,36 18.102,37 18.102,38 18.102,39 1.525,40 82,41 5.556,42 138.86,43 1.16,44 1.361,45 42.036,46 25.344,47 1.107,48 2.533,49 4.022,50 -0.417,51 -0.417,52 1.083,53 3.91,54 3.49,55 171.669,56 3.925,57 5.045,58 -0.539,59 7.306,60 17.51,61 2.77,62 4.499,63 9.575,64 7.641,65 2.922,66 15.667,67 4.745,68 46.694,69 45.564,70 5.9}
{0 CHEMBL1979093,1 2.832,2 91.767,3 112.132,4 13.886,5 21.901,6 200.391,7 480.714,8 31.427,9 1.412,10 253.611,11 19.5,12 14.046,13 1.133,14 255.611,15 4.128,16 32.828,17 20.442,18 246.101,19 3.141,20 16.719,21 33.415,22 52,23 0.019,24 0.019,25 4.021,26 20.559,27 4.772,28 11.62,29 3.222,30 1.304,31 1.051,32 14.457,33 1.531,34 20.179,35 20.179,36 20.179,37 20.179,38 20.179,39 1.795,40 130,41 6.583,42 188.552,43 1.386,44 1.534,45 49.971,46 28.726,47 1.156,48 2.814,49 4.134,50 0.008,51 0.008,52 1.203,53 4.031,54 3.565,55 219.572,56 4.029,57 5.409,58 0.01,59 8.676,60 21.25,61 2.942,62 4.623,63 11.038,64 9.514,65 2.955,66 16.5,67 4.974,68 55.283,69 49.389,70 5.9}
{0 CHEMBL1979176,1 2.677,2 79.849,3 87.006,4 11.624,5 20.491,6 164.078,7 392.11,8 21.633,9 1.152,10 196.621,11 17.5,12 11.152,13 0.94,14 196.621,15 3.912,16 26.826,17 17.073,18 194.621,19 2.967,20 14.803,21 26.313,22 41,23 -1.964,24 -1.964,25 3.81,26 17.737,27 4.504,28 9.925,29 3.034,30 0.748,31 0.881,32 12.364,33 1.094,34 17.082,35 17.082,36 17.082,37 17.082,38 17.082,39 1.471,40 100,41 5.639,42 149.111,43 1.142,44 0.905,45 40.902,46 25.188,47 1.019,48 2.494,49 3.982,50 -0.717,51 -0.717,52 0.998,53 3.675,54 3.348,55 175.111,56 3.77,57 4.647,58 -0.957,59 5.791,60 18.734,61 2.807,62 4.45,63 10.038,64 6.775,65 2.872,66 13.479,67 4.719,68 44.922,69 41.75,70 5.9}
{0 CHEMBL1979252,1 2.577,2 75.922,3 87.647,4 11.224,5 20.099,6 157.283,7 375.532,8 21.267,9 1.086,10 177.995,11 16.25,12 10.648,13 0.784,14 177.995,15 3.85,16 25.805,17 16.449,18 173.995,19 2.854,20 13.966,21 25.307,22 39,23 -2.339,24 -2.339,25 3.751,26 16.696,27 4.363,28 9.494,29 2.925,30 0.599,31 0.706,32 11.859,33 1.152,34 16.317,35 16.317,36 16.317,37 16.317,38 16.317,39 1.419,40 86,41 5.361,42 134.485,43 1.062,44 0.705,45 38.8,46 24.426,47 0.931,48 2.459,49 3.94,50 -0.823,51 -0.823,52 0.918,53 3.591,54 3.33,55 158.485,56 3.668,57 4.515,58 -1,59 6.086,60 18.027,61 2.661,62 4.371,63 9.696,64 6.857,65 2.767,66 13.348,67 4.549,68 42.424,69 40.865,70 5.9}
{0 CHEMBL1979357,1 2.687,2 81.563,3 110.977,4 13.1,5 11.192,6 196.797,7 471.944,8 24.513,9 1.301,10 258.366,11 17,12 13.258,13 1.064,14 258.366,15 4.104,16 31.827,17 19.299,18 254.366,19 3.042,20 15.141,21 33.875,22 52,23 -1,24 -1,25 3.976,26 19.021,27 4.831,28 11.266,29 3.129,30 0.91,31 0.99,32 13.258,33 1.138,34 18.784,35 18.784,36 18.784,37 18.784,38 18.784,39 1.418,40 112,41 6.056,42 168.657,43 1.273,44 1.122,45 48.36,46 25.935,47 1.107,48 2.448,49 4.041,50 -0.414,51 -0.414,52 1.062,53 4.148,54 3.548,55 226.714,56 4.033,57 5.272,58 -0.517,59 10.559,60 18.64,61 2.852,62 4.639,63 9.917,64 10.699,65 2.771,66 15.863,67 5.07,68 54.73,69 44.464,70 5.9}
{0 CHEMBL1979516,1 2.883,2 101.316,3 124.211,4 15.286,5 22.451,6 220.985,7 530.963,8 38.219,9 1.301,10 277.668,11 20.5,12 15.517,13 1.041,14 279.668,15 4.179,16 35.321,17 21.938,18 272.913,19 3.195,20 17.962,21 36.614,22 55,23 0.195,24 0.195,25 4.065,26 22.07,27 4.796,28 12.756,29 3.266,30 1.323,31 1.004,32 15.457,33 1.51,34 21.593,35 21.593,36 21.593,37 21.593,38 21.593,39 1.717,40 146,41 7.083,42 205.229,43 1.286,44 2.064,45 52.822,46 30.325,47 1.148,48 2.823,49 4.196,50 0.072,51 0.072,52 1.141,53 4.141,54 3.643,55 250.913,56 4.096,57 5.973,58 0.085,59 10.792,60 22.665,61 2.986,62 4.675,63 11.83,64 10.105,65 3.153,66 17.817,67 4.975,68 58.492,69 52,70 7.2}
{0 CHEMBL1979690,1 2.866,2 97.897,3 125.253,4 14.914,5 31.014,6 218.248,7 524.286,8 35.696,9 1.429,10 278.009,11 21.75,12 15.425,13 1.153,14 278.009,15 4.253,16 35.213,17 22.071,18 270.399,19 3.111,20 18.435,21 36.995,22 58,23 0.829,24 0.829,25 4.116,26 21.919,27 4.856,28 12.481,29 3.206,30 1.613,31 1.064,32 15.136,33 1.534,34 21.273,35 21.273,36 21.273,37 21.273,38 21.273,39 1.777,40 156,41 6.667,42 201.02,43 1.376,44 1.962,45 54.207,46 29.755,47 1.291,48 2.889,49 4.184,50 0.343,51 0.343,52 1.303,53 4.143,54 3.629,55 240.748,56 4.098,57 5.99,58 0.421,59 10.195,60 21.209,61 2.91,62 4.83,63 11.388,64 11.27,65 3.034,66 18.222,67 5.133,68 61.252,69 52.261,70 6.4}
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{0 CHEMBL1980142,1 2.603,2 85.078,3 86.145,4 12.148,5 20.633,6 163.676,7 391.13,8 23.464,9 1.034,10 189.911,11 18.75,12 10.631,13 0.75,14 189.911,15 3.904,16 27.261,17 17.787,18 185.911,19 2.856,20 16.149,21 25.671,22 40,23 -1.599,24 -1.599,25 3.808,26 18.449,27 4.525,28 10.14,29 2.938,30 0.852,31 0.682,32 13.054,33 1.189,34 17.736,35 17.736,36 17.736,37 17.736,38 17.736,39 1.562,40 90,41 5.833,42 132.26,43 1.055,44 0.882,45 41.112,46 26.616,47 0.873,48 2.586,49 4.047,50 -0.618,51 -0.618,52 0.856,53 3.666,54 3.373,55 158.26,56 3.804,57 4.802,58 -0.927,59 6.228,60 20.527,61 2.632,62 4.468,63 11.496,64 6.648,65 2.876,66 14.324,67 4.696,68 44.732,69 45.875,70 5.9}
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{0 CHEMBL1980391,1 2.755,2 79.36,3 94.81,4 11.933,5 22.242,6 168.217,7 402.209,8 17.302,9 1.105,10 196.621,11 16.5,12 11.958,13 0.868,14 196.621,15 3.915,16 27.172,17 17.204,18 194.621,19 2.912,20 14.558,21 27.841,22 42,23 -1.617,24 -1.617,25 3.81,26 17.468,27 4.591,28 9.695,29 2.998,30 0.708,31 0.824,32 12.08,33 1.225,34 16.955,35 16.955,36 16.955,37 16.955,38 16.955,39 1.447,40 77,41 5.444,42 155.601,43 1.126,44 0.996,45 39.873,46 23.203,47 1.061,48 2.487,49 3.964,50 -0.63,51 -0.63,52 1.019,53 3.947,54 3.396,55 179.111,56 3.927,57 4.502,58 -0.744,59 7.641,60 17.552,61 2.768,62 4.436,63 9.217,64 7.008,65 2.861,66 14.158,67 4.77,68 43.978,69 42.376,70 6.7}
{0 CHEMBL1980407,1 2.856,2 100.055,3 129.017,4 15.767,5 16.112,6 229.91,7 552.741,8 40.386,9 1.461,10 318.475,11 21,12 16.153,13 1.243,14 318.475,15 4.263,16 37.783,17 23.332,18 315.72,19 3.04,20 18.803,21 39.546,22 61,23 1.372,24 1.372,25 4.148,26 23.032,27 4.881,28 13.646,29 3.091,30 2.118,31 1.199,32 16.153,33 1.487,34 22.739,35 22.739,36 22.739,37 22.739,38 22.739,39 1.973,40 170,41 7.194,42 209.453,43 1.494,44 2.294,45 56.898,46 31.195,47 1.261,48 2.997,49 4.242,50 0.618,51 0.618,52 1.246,53 4.191,54 3.726,55 279.666,56 4.152,57 6.58,58 0.927,59 10.793,60 22.623,61 2.892,62 4.782,63 12.177,64 12.044,65 3.074,66 19.377,67 5.091,68 63.564,69 55.015,70 5.4}
{0 CHEMBL1980489,1 2.687,2 69.58,3 86.478,4 10.581,5 17.245,6 152.429,7 363.688,8 17.636,9 1.086,10 154.974,11 14.25,12 10.937,13 0.783,14 154.974,15 3.75,16 23.955,17 14.987,18 152.974,19 2.854,20 12.265,21 24.591,22 36,23 -2.765,24 -2.765,25 3.65,26 15.109,27 4.186,28 8.82,29 2.925,30 0.5,31 0.706,32 10.648,33 1,34 14.845,35 14.845,36 14.845,37 14.845,38 14.845,39 1.241,40 80,41 4.861,42 121.464,43 1.062,44 0.5,45 34.702,46 21.969,47 0.836,48 2.26,49 3.824,50 -1,51 -1,52 0.824,53 3.517,54 3.262,55 141.464,56 3.57,57 4.217,58 -1.5,59 5.302,60 15.527,61 2.661,62 4.214,63 8.101,64 5.836,65 2.5,66 12.089,67 4.389,68 37.934,69 35.573,70 5.9}
{0 CHEMBL1980540,1 2.559,2 78.736,3 84.976,4 11.505,5 17.779,6 158.822,7 379.286,8 18.806,9 0.95,10 174.77,11 16.75,12 10.92,13 0.702,14 174.77,15 3.809,16 25.412,17 16.325,18 170.77,19 2.761,20 14.413,21 24.955,22 37,23 -1.965,24 -1.965,25 3.712,26 16.838,27 4.333,28 9.446,29 2.827,30 0.671,31 0.645,32 11.842,33 1.189,34 16.264,35 16.264,36 16.264,37 16.264,38 16.264,39 1.387,40 70,41 5.333,42 125.119,43 0.94,44 0.882,45 37.014,46 24.24,47 0.857,48 2.451,49 3.944,50 -0.741,51 -0.741,52 0.824,53 3.612,54 3.307,55 149.119,56 3.721,57 4.471,58 -0.973,59 5.329,60 18.027,61 2.577,62 4.327,63 9.704,64 5.882,65 2.832,66 13.064,67 4.507,68 40.242,69 40.627,70 5.9}
{0 CHEMBL1980671,1 1.87,2 52.115,3 63.765,4 7.833,5 18.125,6 111.582,7 264.02,8 8.09,9 0.638,10 114.211,11 12,12 8.254,13 0.335,14 118.211,15 3.558,16 17.875,17 11.481,18 112.211,19 2.599,20 9.759,21 18.006,22 28,23 -4.703,24 -4.703,25 3.429,26 11.806,27 4.074,28 6.791,29 2.681,30 -0.29,31 0.283,32 8.254,33 0.047,34 11.569,35 11.569,36 11.569,37 11.569,38 11.569,39 1.066,40 26,41 3.694,42 86.602,43 0.647,44 -0.1,45 26.604,46 16.386,47 0.524,48 2.079,49 3.589,50 -1.609,51 -1.609,52 0.485,53 3.359,54 2.978,55 102.211,56 3.489,57 3.208,58 -2.156,59 3.547,60 11.828,61 2.397,62 4.005,63 6.227,64 3.933,65 1.524,66 9.346,67 4.311,68 29.531,69 28.158,70 4.3}
{0 CHEMBL1980704,1 2.729,2 80.69,3 101.199,4 12.333,5 7.704,6 171.886,7 411.163,8 19.085,9 1.181,10 206.122,11 17,12 12.747,13 0.946,14 206.122,15 3.942,16 27.928,17 17.902,18 201.367,19 2.905,20 15.257,21 29.483,22 44,23 -1.338,24 -1.338,25 3.834,26 17.957,27 4.441,28 10.222,29 2.969,30 0.999,31 0.88,32 12.293,33 1.354,34 17.447,35 17.447,36 17.447,37 17.447,38 17.447,39 1.442,40 79,41 5.333,42 136.048,43 1.178,44 1.12,45 40.003,46 24.125,47 1.099,48 2.475,49 3.986,50 -0.494,51 -0.494,52 1.064,53 3.956,54 3.449,55 175.367,56 3.904,57 4.874,58 -0.728,59 7.529,60 16.803,61 2.765,62 4.474,63 9.186,64 7.853,65 2.957,66 15.155,67 4.652,68 44.488,69 44.332,70 5.9}
{0 CHEMBL1980763,1 2.866,2 85.013,3 108.87,4 13.048,5 23.513,6 198.853,7 476.96,8 24.963,9 1.308,10 249.784,11 18.5,12 13.386,13 1.041,14 249.784,15 4.166,16 31.917,17 19.475,18 247.784,19 3.05,20 15.92,21 33.955,22 54,23 -0.644,24 -0.644,25 4.036,26 18.927,27 4.813,28 10.903,29 3.127,30 0.983,31 0.98,32 13.097,33 1.256,34 18.309,35 18.309,36 18.309,37 18.309,38 18.309,39 1.676,40 102,41 5.861,42 188.197,43 1.301,44 1.145,45 50.996,46 25.996,47 1.281,48 2.752,49 4.038,50 -0.251,51 -0.251,52 1.239,53 4.095,54 3.528,55 239.784,56 3.998,57 5.23,58 -0.299,59 9.602,60 18.803,61 2.862,62 4.79,63 9.971,64 10.583,65 2.771,66 16.099,67 5.044,68 57.797,69 44.798,70 5.2}
{0 CHEMBL1980896,1 2.96,2 98.86,3 118.155,4 14.814,5 16.823,6 203.393,7 488.04,8 27,9 1.107,10 214.477,11 17.75,12 14.782,13 0.886,14 214.477,15 3.956,16 31.001,17 19.426,18 214.477,19 2.904,20 16.531,21 32.904,22 45,23 -0.631,24 -0.631,25 3.864,26 19.482,27 4.563,28 11.019,29 2.969,30 1.098,31 0.824,32 13.508,33 1.298,34 18.809,35 18.809,36 18.809,37 18.809,38 18.809,39 1.588,40 106,41 6.056,42 163.193,43 1.062,44 1.183,45 42.665,46 27.062,47 1.072,48 2.71,49 4.07,50 -0.275,51 -0.275,52 1.043,53 4.066,54 3.534,55 194.477,56 3.992,57 5.256,58 -0.362,59 10.169,60 19.673,61 2.765,62 4.433,63 10.286,64 8.972,65 3.069,66 16.011,67 4.724,68 46.399,69 46.449,70 6.1}
{0 CHEMBL1980995,1 3.042,2 106.923,3 131.874,4 16.6,5 28.268,6 230.101,7 553.206,8 25.211,9 1.553,10 331.51,11 24.75,12 17.08,13 1.293,14 339.51,15 4.37,16 40.025,17 25.55,18 323.51,19 3.27,20 21.485,21 41.762,22 68,23 2.394,24 2.394,25 4.263,26 25.037,27 5.532,28 13.618,29 3.347,30 2.126,31 1.223,32 17.08,33 1.901,34 24.479,35 24.479,36 24.479,37 24.479,38 24.479,39 2.107,40 104,41 7.347,42 227.775,43 1.55,44 2.371,45 61.109,46 29.807,47 1.517,48 3.181,49 4.332,50 0.939,51 0.939,52 1.493,53 4.756,54 3.826,55 301.51,56 4.556,57 6.255,58 1.064,59 19.901,60 23.637,61 3.067,62 5.021,63 13.078,64 17.103,65 3.408,66 23.506,67 5.717,68 68.189,69 67.063,70 7.1}
{0 CHEMBL1981047,1 2.932,2 107.609,3 135.925,4 16.4,5 32.814,6 246.685,7 593.671,8 45.249,9 1.523,10 341.944,11 23.75,12 17.029,13 1.222,14 341.944,15 4.409,16 40.594,17 24.994,18 339.189,19 3.218,20 19.939,21 42.534,22 69,23 2.136,24 2.136,25 4.281,26 24.521,27 5.168,28 13.963,29 3.304,30 2.07,31 1.155,32 17.029,33 1.881,34 23.955,35 23.955,36 23.955,37 23.955,38 23.955,39 1.854,40 197,41 7.694,42 235.685,43 1.526,44 2.404,45 65.196,46 32.756,47 1.47,48 2.904,49 4.293,50 1,51 1,52 1.451,53 4.331,54 3.763,55 306.66,56 4.275,57 6.533,58 1,59 12.881,60 24.363,61 2.943,62 5.036,63 13.023,64 13.776,65 3.009,66 20.794,67 5.413,68 73.6,69 58.636,70 6.7}
{0 CHEMBL1981079,1 2.559,2 72.181,3 85.385,4 10.833,5 9.215,6 153.628,7 366.611,8 17.365,9 1.079,10 168.974,11 15.25,12 10.83,13 0.86,14 168.974,15 3.79,16 24.14,17 15.226,18 168.974,19 2.86,20 13.023,21 24.324,22 36,23 -2.022,24 -2.022,25 3.675,26 15.464,27 4.368,28 8.725,29 2.893,30 0.51,31 0.804,32 10.952,33 0.982,34 15.085,35 15.085,36 15.085,37 15.085,38 15.085,39 1.345,40 71,41 4.972,42 126.245,43 1.068,44 0.692,45 35.207,46 22.092,47 0.813,48 2.371,49 3.863,50 -1,51 -1,52 0.809,53 3.648,54 3.262,55 153.364,56 3.692,57 4.144,58 -1.173,59 5.895,60 16.56,61 2.73,62 4.227,63 8.464,64 5.319,65 2.672,66 12.287,67 4.563,68 38.645,69 37.958,70 5.9}
{0 CHEMBL1981133,1 2.87,2 91.206,3 117.868,4 14.433,5 8.592,6 209.657,7 503.322,8 30.08,9 1.27,10 290.423,11 19.25,12 14.759,13 1.06,14 290.423,15 4.176,16 34.542,17 21.417,18 286.423,19 3.052,20 17.346,21 36.33,22 56,23 1.149,24 1.149,25 4.06,26 21.195,27 4.792,28 12.468,29 3.101,30 1.687,31 1.014,32 14.759,33 1.389,34 20.878,35 20.878,36 20.878,37 20.878,38 20.878,39 1.612,40 120,41 6.528,42 181.471,43 1.256,44 2.086,45 51.687,46 28.901,47 1.213,48 2.614,49 4.156,50 0.498,51 0.498,52 1.19,53 4.132,54 3.646,55 247.894,56 4.105,57 5.96,58 0.586,59 10.098,60 20.338,61 2.943,62 4.702,63 11.041,64 11.238,65 3.045,66 17.921,67 5.032,68 57.939,69 50.919,70 5.2}
{0 CHEMBL1981215,1 2.644,2 86.371,3 86.643,4 12.195,5 21.22,6 166.474,7 397.957,8 27.52,9 1.138,10 199.376,11 19,12 11.152,13 0.919,14 199.376,15 3.925,16 27.593,17 17.939,18 197.376,19 2.97,20 16.311,21 26.188,22 41,23 -1.836,24 -1.836,25 3.833,26 18.915,27 4.54,28 10.576,29 3.033,30 0.763,31 0.865,32 13.219,33 1.189,34 18.074,35 18.074,36 18.074,37 18.074,38 18.074,39 1.523,40 112,41 5.972,42 144.87,43 1.136,44 1.177,45 41.927,46 26.945,47 0.973,48 2.645,49 4.051,50 -0.697,51 -0.697,52 0.962,53 3.666,54 3.375,55 175.724,56 3.773,57 5.063,58 -0.952,59 6.213,60 20.311,61 2.812,62 4.479,63 10.966,64 6.544,65 2.906,66 14.167,67 4.731,68 45.602,69 44.847,70 5.2}
{0 CHEMBL1981410,1 2.939,2 100.951,3 121.45,4 14.99,5 32.729,6 215.178,7 516.794,8 36.562,9 1.324,10 280.07,11 22.5,12 14.619,13 1.08,14 282.07,15 4.227,16 35.229,17 22.27,18 273.315,19 3.258,20 18.863,21 35.398,22 56,23 0.277,24 0.277,25 4.1,26 22.686,27 4.878,28 12.848,29 3.318,30 1.351,31 1.038,32 15.83,33 1.654,34 22.013,35 22.013,36 22.013,37 22.013,38 22.013,39 1.893,40 130,41 7.167,42 208.644,43 1.406,44 1.696,45 54.647,46 31.19,47 1.242,48 2.943,49 4.226,50 0.115,51 0.115,52 1.26,53 4.076,54 3.618,55 247.315,56 4.11,57 6.02,58 0.133,59 8.671,60 23.424,61 3.003,62 4.786,63 12.628,64 9.406,65 3.023,66 17.924,67 5.09,68 61.038,69 53.409,70 5.9}
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{0 CHEMBL1981744,1 2.639,2 78.635,3 84.976,4 11.505,5 17.779,6 158.822,7 379.286,8 19.424,9 0.974,10 174.77,11 16.75,12 10.903,13 0.705,14 174.77,15 3.809,16 25.412,17 16.325,18 172.77,19 2.755,20 14.46,21 24.955,22 37,23 -1.971,24 -1.971,25 3.712,26 16.813,27 4.324,28 9.423,29 2.828,30 0.668,31 0.646,32 11.826,33 1.051,34 16.212,35 16.212,36 16.212,37 16.212,38 16.212,39 1.425,40 83,41 5.306,42 125.119,43 0.963,44 0.757,45 37.014,46 24.304,47 0.81,48 2.475,49 3.944,50 -0.749,51 -0.749,52 0.782,53 3.58,54 3.307,55 151.119,56 3.711,57 4.5,58 -1,59 5.239,60 18.027,61 2.592,62 4.327,63 9.698,64 5.788,65 2.871,66 13.06,67 4.509,68 40.242,69 40.519,70 5.2}
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{0 CHEMBL1988141,1 2.563,2 60.896,3 74.591,4 9.2,5 20.581,6 148.011,7 352.907,8 16.15,9 1.13,10 179.376,11 13,12 9.613,13 0.883,14 179.376,15 3.883,16 23.423,17 13.92,18 179.376,19 2.926,20 10.605,21 24.472,22 40,23 -3.08,24 -3.08,25 3.752,26 13.581,27 4.418,28 7.973,29 2.969,30 -0.031,31 0.821,32 9.613,33 0.525,34 13.353,35 13.353,36 13.353,37 13.353,38 13.353,39 0.965,40 66,41 4.583,42 136.515,43 1.136,45 39.356,46 20.017,47 0.983,48 1.967,49 3.713,50 -1.335,51 -1.335,52 0.977,53 3.607,54 3.189,55 166.621,56 3.635,57 3.71,58 -1.713,59 6.001,60 14.535,61 2.711,62 4.487,63 7.443,64 6.485,65 2,66 11.051,67 4.625,68 44.445,69 30.456,70 5.8}
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{0 CHEMBL1988173,1 2.888,2 91.902,3 119.157,4 14.414,5 19.132,6 215.26,7 516.993,8 26.785,9 1.149,10 232.366,11 17.25,12 14.485,13 0.887,14 232.366,15 4.091,16 33.25,17 19.915,18 226.856,19 2.973,20 15.896,21 35.284,22 51,23 -1.242,24 -1.242,25 3.981,26 19.607,27 4.868,28 11.452,29 3.039,30 0.805,31 0.829,32 13.908,33 1.268,34 19.247,35 19.247,36 19.247,37 19.247,38 19.247,39 1.56,40 127,41 6.444,42 162.645,43 1.163,44 1.543,45 49.313,46 27.521,47 1.107,48 2.583,49 4.085,50 -0.514,51 -0.514,52 1.062,53 4.122,54 3.564,55 194.75,56 4.053,57 5.387,58 -0.621,59 11.532,60 20.855,61 2.78,62 4.572,63 10.739,64 10.717,65 2.818,66 15.912,67 5.06,68 54.515,69 46.15,70 5.9}
{0 CHEMBL1988300,1 2.791,2 88.509,3 117.879,4 13.833,5 6.325,6 194.809,7 467.093,8 26.944,9 1.196,10 235.133,11 18,12 14.141,13 0.946,14 235.133,15 4.051,16 31.455,17 19.757,18 233.133,19 2.974,20 16.457,21 33.245,22 49,23 -0.103,24 -0.103,25 3.936,26 19.684,27 4.561,28 11.254,29 3.068,30 1.323,31 0.889,32 13.687,33 1.111,34 19.309,35 19.309,36 19.309,37 19.309,38 19.309,39 1.611,40 112,41 6,42 157.749,43 1.161,44 1.847,45 44.887,46 26.791,47 1.146,48 2.686,49 4.088,50 -0.043,51 -0.043,52 1.131,53 4.083,54 3.572,55 207.133,56 4.013,57 5.36,58 -0.056,59 9.619,60 19.087,61 2.796,62 4.507,63 10.267,64 9.094,65 3.032,66 16.676,67 4.77,68 49.903,69 48.494,70 6}
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{0 CHEMBL1988437,1 2.789,2 89.029,3 114.788,4 13.767,5 7.851,6 199.404,7 478.306,8 31.077,9 1.196,10 249.329,11 17.25,12 14.15,13 0.986,14 249.329,15 4.041,16 31.675,17 19.632,18 242.574,19 2.988,20 15.815,21 33.455,22 49,25 3.933,26 19.808,27 4.522,28 11.647,29 3.043,30 1.36,31 0.963,32 13.742,33 1.318,34 19.438,35 19.438,36 19.438,37 19.438,38 19.438,39 1.488,40 118,41 6.278,42 162.004,43 1.196,44 1.491,45 45.996,46 27.141,47 1.089,48 2.495,49 4.076,52 1.042,53 3.986,54 3.55,55 207.355,56 3.961,57 5.468,59 8.362,60 19.347,61 2.82,62 4.525,63 10.281,64 8.717,65 2.901,66 15.861,67 4.712,68 51.029,69 45.498,70 5.2}
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{0 CHEMBL1988594,1 2.755,2 92.702,3 112.693,4 13.9,5 22.405,6 197.804,7 474.402,8 31.275,9 1.167,10 221.133,11 19.25,12 14.551,13 0.886,14 227.133,15 4.052,16 31.379,17 19.796,18 206.869,19 2.974,20 16.55,21 32.398,22 48,23 -0.408,24 -0.408,25 3.939,26 20.185,27 4.566,28 11.767,29 3.078,30 1.179,31 0.821,32 14.097,33 1.14,34 19.723,35 19.723,36 19.723,37 19.723,38 19.723,39 1.712,40 130,41 6.361,42 155.431,43 1.156,44 1.492,45 45.76,46 28.229,47 1.107,48 2.834,49 4.105,50 -0.165,51 -0.165,52 1.062,53 3.871,54 3.527,55 184.83,56 3.916,57 5.625,58 -0.205,59 7.825,60 20.217,61 2.753,62 4.501,63 10.665,64 7.832,65 2.939,66 15.952,67 4.762,68 50.405,69 47.479,70 5.9}
{0 CHEMBL1988608,1 2.733,2 85.005,3 105.617,4 13,5 22.035,6 186.803,7 447.558,8 26.633,9 1.19,10 238.379,11 18.25,12 13.508,13 1.007,14 240.379,15 4.049,16 30.412,17 19.118,18 236.379,19 2.954,20 15.752,21 30.96,22 48,23 -0.391,24 -0.391,25 3.942,26 19.052,27 4.491,28 10.999,29 3.015,30 1.177,31 0.961,32 13.508,33 1.303,34 18.809,35 18.809,36 18.809,37 18.809,38 18.809,39 1.507,40 114,41 6.056,42 181.872,43 1.195,44 1.342,45 45.793,46 27.065,47 1.166,48 2.517,49 4.067,50 -0.152,51 -0.152,52 1.142,53 3.817,54 3.496,55 214.727,56 3.837,57 5.245,58 -0.185,59 6.562,60 19.673,61 2.819,62 4.513,63 10.305,64 7.205,65 3.034,66 15.591,67 4.682,68 50.611,69 46.506,70 5.9}
{0 CHEMBL1988692,1 2.499,2 60.088,3 78.263,4 9.433,5 11.78,6 143.157,7 341.063,8 13.63,9 1.208,10 168.608,11 12.75,12 9.631,13 0.934,14 168.608,15 3.829,16 22.961,17 14.023,18 166.608,19 2.851,20 11.155,21 24.046,22 38,23 -2.625,24 -2.625,25 3.693,26 13.556,27 4.229,28 7.911,29 2.916,30 0.05,31 0.804,32 9.631,33 0.347,34 13.378,35 13.378,36 13.378,37 13.378,38 13.378,39 1.393,40 51,41 4.333,42 132.592,43 1.187,44 0.5,45 36.036,46 19.762,47 1.006,48 2.397,49 3.735,50 -1,51 -1,52 0.973,53 3.57,54 3.213,55 154.998,56 3.574,57 3.795,58 -1.5,59 4.866,60 14.113,61 2.577,62 4.366,63 7.36,64 6.097,65 2.593,66 11.424,67 4.445,68 40.694,69 33.149,70 5.8}
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{0 CHEMBL1988872,1 2.47,2 74.683,3 88.409,4 10.5,5 17.522,6 155.486,7 371.146,8 18.661,9 1.107,10 175.995,11 14,12 11.332,13 0.857,14 175.995,15 3.863,16 24.358,17 15.08,18 168.385,19 2.854,20 12.335,21 25.392,22 39,23 -3,24 -3,25 3.746,26 14.537,27 4.329,28 8.22,29 2.925,30 0.5,31 0.779,32 10.405,33 0.751,34 14.273,35 14.273,36 14.273,37 14.273,38 14.273,39 1.193,40 64,41 4.597,42 130.327,43 1.062,44 0.65,45 37.658,46 21.97,47 1.018,48 2.202,49 3.822,50 -1,51 -1,52 0.985,53 3.67,54 3.279,55 150.734,56 3.656,57 3.963,58 -1.385,59 6.902,60 15.742,61 2.709,62 4.361,63 8.205,64 6.783,65 2.5,66 12.43,67 4.547,68 41.906,69 36.355,70 5.2}
{0 CHEMBL1989029,1 2.499,2 60.643,3 77.838,4 9.367,5 15.478,6 140.359,7 334.236,8 12.51,9 1.069,10 162.015,11 12.75,12 9.648,13 0.902,14 162.015,15 3.788,16 22.655,17 13.9,18 160.015,19 2.724,20 11.388,21 23.495,22 37,23 -2.781,24 -2.781,25 3.678,26 13.75,27 4.202,28 7.919,29 2.789,31 0.804,32 9.648,33 0.53,34 13.43,35 13.43,36 13.43,37 13.43,38 13.43,39 1.261,40 51,41 4.361,42 132.364,43 1.072,44 0.281,45 35.262,46 19.629,47 1.003,48 2.268,49 3.735,50 -1.07,51 -1.07,52 0.96,53 3.547,54 3.201,55 152.015,56 3.546,57 3.758,58 -1.432,59 4.744,60 14.113,61 2.515,62 4.313,63 7.344,64 5.59,65 2.564,66 11.214,67 4.395,68 39.405,69 33.235,70 5.9}
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{0 CHEMBL1989646,1 2.687,2 70.002,3 93.752,4 10.9,5 12.138,6 158.686,7 378.953,8 18.805,9 1.107,10 189.376,11 14.5,12 11.22,13 0.886,14 189.376,15 3.934,16 25.762,17 16.174,18 186.621,19 2.891,20 13.143,21 26.841,22 42,23 -2.347,24 -2.347,25 3.796,26 15.99,27 4.429,28 9.238,29 2.998,30 0.648,31 0.821,32 11.22,33 1,34 15.792,35 15.792,36 15.792,37 15.792,38 15.792,39 1.287,40 77,41 4.972,42 141.766,43 1.115,44 0.695,45 39.029,46 22.538,47 1.086,48 2.296,49 3.887,50 -0.828,51 -0.828,52 1.062,53 3.765,54 3.343,55 166.621,56 3.758,57 4.395,58 -1.193,59 5.967,60 15.811,61 2.715,62 4.435,63 8.419,64 6.174,65 2.611,66 13.37,67 4.686,68 44.066,69 39.429,70 5.9}
{0 CHEMBL1989708,1 3.008,2 112.531,3 145.241,4 17.4,5 22.442,6 254.63,7 613.056,8 50.25,9 1.506,10 345.65,11 23,12 17.822,13 1.246,14 347.65,15 4.355,16 41.013,17 25.254,18 340.896,19 3.266,20 20.57,21 43.205,22 66,23 2.07,24 2.07,25 4.236,26 24.667,27 5.007,28 14.156,29 3.319,30 2.258,31 1.207,32 17.368,33 1.864,34 24.187,35 24.187,36 24.187,37 24.187,38 24.187,39 2.035,40 188,41 7.75,42 251.611,43 1.519,44 2.5,45 62.178,46 33.496,47 1.429,48 3.068,49 4.319,50 0.807,51 0.807,52 1.396,53 4.371,54 3.795,55 316.896,56 4.265,57 6.774,58 1.153,59 12.802,60 25.233,61 3.11,62 4.876,63 13.269,64 13.344,65 3.295,66 20.877,67 5.21,68 69.481,69 60.103,70 7.6}
{0 CHEMBL1989834,1 2.175,2 48.647,3 61.907,4 7.633,5 2.157,6 110.384,7 261.096,8 7.375,9 0.757,10 114.211,11 9.75,12 7.86,13 0.471,14 114.211,15 3.501,16 17.865,17 11.148,18 105.457,19 2.392,20 9.08,21 18.512,22 28,23 -4.789,24 -4.789,25 3.397,26 11.234,27 3.942,28 6.658,29 2.495,30 -0.36,31 0.389,32 7.86,33 -0.451,34 11.121,35 11.121,36 11.121,37 11.121,38 11.121,39 1,40 34,41 3.528,42 72.211,43 0.723,44 -0.29,45 26.065,46 15.679,47 0.63,48 2,49 3.533,50 -1.773,51 -1.773,52 0.642,53 3.361,54 3.011,55 85.457,56 3.395,57 3.144,58 -2.505,59 4.153,60 10.958,61 2.161,62 3.942,63 5.862,64 4.366,65 2.144,66 9.209,67 4.134,68 28.867,69 27.161,70 4.3}
{0 CHEMBL1990223,1 2.867,2 80.539,3 99.199,4 12.329,5 21.488,6 185.802,7 445.116,8 26.49,9 1.141,10 221.46,11 15.75,12 12.496,13 0.867,14 221.46,15 3.974,16 29.089,17 17.518,18 217.46,19 2.932,20 14.169,21 30.699,22 46,23 -1.657,24 -1.657,25 3.882,26 16.843,27 4.572,28 9.492,29 2.973,30 0.712,31 0.824,32 11.919,33 1.239,34 16.394,35 16.394,36 16.394,37 16.394,38 16.394,39 1.425,40 97,41 5.417,42 155.421,43 1.14,44 0.798,45 44.567,46 24.972,47 1.053,48 2.428,49 3.94,50 -0.616,51 -0.616,52 1.01,53 3.866,54 3.442,55 199.95,56 3.883,57 4.533,58 -0.73,59 8.897,60 17.974,61 2.764,62 4.552,63 9.224,64 10.27,65 2.82,66 14.435,67 4.817,68 49.167,69 39.634,70 5.2}
{0 CHEMBL1990254,1 2.687,2 72.49,3 94.747,4 11.533,5 8.567,6 175.542,7 420.083,8 22.139,9 1.107,10 205.329,11 14.5,12 11.775,13 0.886,14 205.329,15 3.964,16 27.993,17 16.836,18 198.574,19 2.854,20 12.942,21 29.563,22 45,23 -1.963,24 -1.963,25 3.839,26 16.742,27 4.637,28 10.109,29 2.925,30 0.596,31 0.821,32 11.775,33 1,34 16.629,35 16.629,36 16.629,37 16.629,38 16.629,39 1.13,40 84,41 5.5,42 130.905,43 1.062,44 0.794,45 42.702,46 23.782,47 1.107,48 2.136,49 3.913,50 -0.889,51 -0.889,52 1.062,53 3.882,54 3.412,55 168.521,56 3.841,57 4.713,58 -1.224,59 8.626,60 16.778,61 2.715,62 4.464,63 8.838,64 8.38,65 2.5,66 13.515,67 4.877,68 48.026,69 37.909,70 5.65}
{0 CHEMBL1990288,1 2.688,2 92.111,3 112.445,4 14.119,5 12.302,6 198.464,7 476.013,8 29.049,9 1.276,10 247.323,11 20.5,12 14.293,13 1.12,14 247.323,15 4.115,16 32.893,17 20.922,18 244.568,19 2.876,20 17.549,21 33.75,22 52,23 0.677,24 0.677,25 4.007,26 21.124,27 4.753,28 12.286,29 2.975,30 1.698,31 1.091,32 14.687,33 1.161,34 20.723,35 20.723,36 20.723,37 20.723,38 20.723,39 1.686,40 128,41 6.5,42 171.998,43 1.296,44 2.333,45 48.534,46 28.112,47 1.152,48 2.705,49 4.152,50 0.241,51 0.241,52 1.131,53 4.015,54 3.586,55 219.349,56 4.005,57 5.876,58 0.344,59 8.128,60 20.501,61 2.715,62 4.642,63 11.04,64 7.954,65 2.904,66 17.26,67 4.963,68 53.947,69 51.299,70 5.9}
{0 CHEMBL1990482,1 2.04,2 54.707,3 66.006,4 8.433,5 2.824,6 121.045,7 287.11,8 10.827,9 0.895,10 124.606,11 12,12 8.754,13 0.61,14 124.606,15 3.594,16 19.381,17 12.262,18 124.606,19 2.662,20 10.152,21 19.762,22 30,23 -4.313,24 -4.313,25 3.476,26 12.431,27 4.006,28 7.307,29 2.729,30 0.047,31 0.521,32 8.754,33 0.1,34 12.276,35 12.276,36 12.276,37 12.276,38 12.276,39 0.983,40 42,41 3.944,42 92.59,43 0.874,44 0.425,45 28.385,46 17.739,47 0.718,48 1.984,49 3.64,50 -1.382,51 -1.382,52 0.705,53 3.358,54 3.066,55 114.996,56 3.442,57 3.465,58 -1.92,59 3.776,60 12.535,61 2.481,62 4.042,63 6.584,64 3.81,65 2.5,66 9.962,67 4.228,68 31.448,69 30.337,70 5.9}
{0 CHEMBL1990496,1 2.983,2 105.435,3 139.236,4 16.833,5 16.529,6 248.966,7 599.236,8 41.296,9 1.396,10 336.405,11 22.25,12 17.097,13 1.13,14 340.405,15 4.341,16 40.617,17 24.863,18 324.041,19 3.128,20 19.72,21 42.858,22 66,23 1.901,24 1.901,25 4.217,26 24.336,27 5.066,28 14.407,29 3.221,30 2.173,31 1.066,32 17.097,33 1.546,34 24.051,35 24.051,36 24.051,37 24.051,38 24.051,39 1.802,40 184,41 7.694,42 217.102,43 1.377,44 2.5,45 61.556,46 32.101,47 1.313,48 2.834,49 4.298,50 0.78,51 0.78,52 1.301,53 4.352,54 3.789,55 278.738,56 4.293,57 6.891,58 1.016,59 12.633,60 24.2,61 2.989,62 4.883,63 12.944,64 12.651,65 3.203,66 20.562,67 5.281,68 69.268,69 57.947,70 5.4}
{0 CHEMBL1990590,1 2.687,2 74.754,3 95.623,4 11.748,5 6.183,6 166.889,7 398.97,8 18.167,9 1.107,10 186.666,11 15,12 11.903,13 0.95,14 186.666,15 3.865,16 26.767,17 16.731,18 180.666,19 2.854,20 13.904,21 27.898,22 41,23 -1.674,24 -1.674,25 3.766,26 16.551,27 4.499,28 9.41,29 2.925,30 0.678,31 0.912,32 11.614,33 1,34 16.24,35 16.24,36 16.24,37 16.24,38 16.24,39 1.47,40 88,41 5.139,42 132.853,43 1.066,44 0.896,45 38.258,46 23.129,47 1.1,48 2.521,49 3.926,50 -0.691,51 -0.691,52 1.062,53 3.881,54 3.4,55 154.137,56 3.862,57 4.479,58 -0.903,59 6.659,60 16.681,61 2.715,62 4.35,63 8.794,64 7.245,65 2.621,66 13.92,67 4.705,68 42.14,69 41.052,70 5.2}
{0 CHEMBL1990884,1 2.815,2 86.63,3 109.399,4 13.552,5 20.28,6 196.395,7 470.963,8 28.014,9 1.344,10 252.568,11 18.5,12 13.419,13 1.081,14 254.568,15 4.105,16 32.113,17 19.842,18 241.814,19 3.06,20 16.069,21 32.961,22 51,23 -0.723,24 -0.723,25 3.99,26 19.259,27 4.787,28 10.877,29 3.156,30 1.109,31 1.022,32 13.829,33 1.467,34 19.102,35 19.102,36 19.102,37 19.102,38 19.102,39 1.779,40 106,41 6.194,42 180.204,43 1.324,44 1.197,45 48.643,46 27.604,47 1.313,48 2.797,49 4.099,50 -0.269,51 -0.269,52 1.314,53 4.048,54 3.556,55 213.814,56 4.039,57 5.138,58 -0.357,59 8.629,60 20.706,61 2.898,62 4.601,63 10.724,64 9.608,65 3.107,66 16.316,67 4.999,68 54.073,69 48.818,70 5.9}
{0 CHEMBL1990885,1 2.944,2 87.002,3 113.678,4 13.552,5 25.99,6 212.57,7 510.432,8 30.19,9 1.558,10 284.192,11 18.5,12 13.456,13 1.343,14 284.192,15 4.238,16 34.22,17 20.383,18 284.192,19 3.202,20 15.616,21 36.006,22 58,23 -0.524,24 -0.524,25 4.101,26 19.62,27 5.06,28 11.043,29 3.297,30 1.042,31 1.256,32 13.85,33 1.546,34 19.24,35 19.24,36 19.24,37 19.24,38 19.24,39 1.774,40 128,41 6.528,42 203.264,43 1.575,44 1.183,45 56.178,46 27.641,47 1.283,48 2.803,49 4.082,50 -0.24,51 -0.24,52 1.282,53 4.168,54 3.578,55 259.437,56 4.066,57 5.039,58 -0.277,59 11.448,60 21.129,61 3.002,62 4.852,63 10.811,64 11.644,65 3.033,66 16.46,67 5.324,68 63.734,69 46.081,70 5.4}
{0 CHEMBL1990904,1 2.763,2 83.284,3 100.737,4 12.686,5 9.533,6 178.34,7 426.91,8 24.255,9 1.123,10 220.215,11 19,12 12.882,13 0.886,14 220.215,15 4.047,16 29.673,17 19.104,18 220.215,19 2.895,20 16.159,21 30.54,22 48,23 -0.512,24 -0.512,25 3.926,26 19.271,27 4.537,28 11.109,29 2.965,30 0.966,31 0.825,32 13.276,33 1.173,34 18.809,35 18.809,36 18.809,37 18.809,38 18.809,39 1.438,40 108,41 5.806,42 163.67,43 1.11,44 1.182,45 44.425,46 25.592,47 1.107,48 2.47,49 4.048,50 -0.209,51 -0.209,52 1.07,53 3.88,54 3.494,55 207.85,56 3.871,57 5.33,58 -0.228,59 6.342,60 18.217,61 2.748,62 4.588,63 9.963,64 6.484,65 2.979,66 16.211,67 4.729,68 49.821,69 46.652,70 5.9}
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{0 CHEMBL1991063,1 2.909,2 92.903,3 116.704,4 14.362,5 13.185,6 210.794,7 506.096,8 29.439,9 1.224,10 264.366,11 18.25,12 14.569,13 0.954,14 264.366,15 4.112,16 33.197,17 20.35,18 262.366,19 2.994,20 16.729,21 35.046,22 52,23 -0.827,24 -0.827,25 4,26 19.974,27 4.692,28 11.34,29 3.06,30 1.022,31 0.896,32 13.991,33 1.278,34 19.463,35 19.463,36 19.463,37 19.463,38 19.463,39 1.743,40 125,41 6.278,42 190.185,43 1.208,44 1.445,45 49.334,46 28.07,47 1.132,48 2.836,49 4.103,50 -0.33,51 -0.33,52 1.116,53 4.062,54 3.585,55 238.714,56 4.052,57 5.41,58 -0.38,59 9.509,60 20.38,61 2.832,62 4.647,63 10.649,64 10.883,65 2.944,66 16.733,67 4.914,68 54.827,69 48.053,70 5.9}
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{0 CHEMBL1996702,1 3.044,2 103.003,3 131.396,4 15.933,5 30.912,6 241.559,7 581.163,8 46.81,9 1.439,10 340.896,11 22,12 16.351,13 1.186,14 340.896,15 4.341,16 39.266,17 23.759,18 330.896,19 3.227,20 18.771,21 40.978,22 65,23 0.784,24 0.784,25 4.223,26 23.19,27 5.08,28 13.269,29 3.292,30 1.587,31 1.123,32 16.351,33 1.69,34 22.748,35 22.748,36 22.748,37 22.748,38 22.748,39 2.006,40 190,41 7.5,42 223.988,43 1.46,44 1.725,45 62.32,46 31.748,47 1.352,48 3.047,49 4.255,50 0.334,51 0.334,52 1.364,53 4.327,54 3.726,55 290.366,56 4.28,57 6.231,58 0.377,59 13.183,60 24.242,61 2.998,62 4.91,63 12.599,64 13.475,65 2.941,66 19.243,67 5.307,68 69.813,69 54.842,70 5.2}
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{0 CHEMBL1996979,1 2.687,2 79.412,3 93.764,4 12.105,5 10.775,6 167.618,7 400.748,8 20.799,9 1.107,10 190.131,11 16.75,12 11.81,13 0.886,14 190.131,15 3.901,16 27.706,17 17.677,18 184.131,19 2.915,20 14.746,21 27.915,22 42,23 -0.757,24 -0.757,25 3.801,26 17.952,27 4.421,28 10.405,29 2.98,30 1,31 0.821,32 12.631,33 1.1,34 17.706,35 17.706,36 17.706,37 17.706,38 17.706,39 1.678,40 87,41 5.667,42 128.793,43 1.074,44 1.161,45 39.96,46 24.948,47 1.047,48 2.706,49 4.002,50 -0.347,51 -0.347,52 1.062,53 3.758,54 3.429,55 161.601,56 3.854,57 4.919,58 -0.445,59 6.429,60 18.096,61 2.753,62 4.379,63 9.684,64 6.902,65 2.818,66 14.595,67 4.609,68 43.875,69 43.483,70 6.9}
{0 CHEMBL1997007,1 2.67,2 72.953,3 94.162,4 11.333,5 19.064,6 175.801,7 420.714,8 22.847,9 1.26,10 223.624,11 15.75,12 11.707,13 0.978,14 223.624,15 4.035,16 28.036,17 16.959,18 223.624,19 2.866,20 13.213,21 29.574,22 47,23 -1.794,24 -1.794,25 3.895,26 16.812,27 4.552,28 9.95,29 2.961,30 0.658,31 0.887,32 11.707,33 0.968,34 16.533,35 16.533,36 16.533,37 16.533,38 16.533,39 1.176,40 106,41 5.5,42 168.24,43 1.259,44 0.866,45 44.905,46 23.754,47 1.107,48 2.182,49 3.911,50 -0.736,51 -0.736,52 1.062,53 3.773,54 3.389,55 210.014,56 3.765,57 4.598,58 -0.94,59 6.229,60 16.941,61 2.715,62 4.602,63 8.848,64 6.473,65 2.5,66 13.497,67 4.786,68 51.023,69 37.708,70 5.2}
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{0 CHEMBL1997041,1 2.19,2 51.753,3 63.815,4 7.986,5 2.702,6 114.38,7 270.847,8 8.367,9 0.799,10 123.627,11 11.25,12 7.843,13 0.518,14 123.627,15 3.547,16 18.555,17 11.738,18 123.627,19 2.516,20 9.767,21 19,22 29,23 -4.587,24 -4.587,25 3.433,26 11.809,27 3.907,28 6.727,29 2.611,30 -0.172,31 0.427,32 8.254,33 -0.319,34 11.569,35 11.569,36 11.569,37 11.569,38 11.569,39 0.945,40 39,41 3.694,42 98.117,43 0.786,44 -0.103,45 27.353,46 16.696,47 0.449,48 1.947,49 3.585,50 -1.596,51 -1.596,52 0.465,53 3.361,54 3.033,55 115.627,56 3.421,57 3.157,58 -2.318,59 4.027,60 11.828,61 2.255,62 4.058,63 6.247,64 4.581,65 1.987,66 9.608,67 4.115,68 30.495,69 28.619,70 4.3}
{0 CHEMBL1997051,1 3.208,2 139.172,3 166.627,4 20.871,5 29.871,6 295.607,7 713.04,8 59.857,9 1.529,10 404.367,11 29.75,12 20.933,13 1.367,14 404.367,15 4.494,16 48.328,17 30.451,18 402.367,19 3.326,20 25.698,21 49.847,22 76,23 2.732,24 2.732,25 4.386,26 30.794,27 5.164,28 17.416,29 3.36,30 2.678,31 1.363,32 21.3,33 2.19,34 29.833,35 29.833,36 29.833,37 29.833,38 29.833,39 2.175,40 244,41 9.583,42 286.467,43 1.508,44 2.801,45 72.189,46 38.638,47 1.488,48 3.256,49 4.52,50 1.198,51 1.198,52 1.503,53 4.446,54 3.95,55 364.314,56 4.419,57 8.193,58 1.752,59 13.114,60 30.794,61 3.161,62 5.04,63 16.347,64 14.117,65 3.453,66 24.861,67 5.345,68 80.074,69 73.279,70 5.2}
{0 CHEMBL1997193,1 2.682,2 80.313,3 96.151,4 12.133,5 16.043,6 167.012,7 399.269,8 16.008,9 1.072,10 168.219,11 13.75,12 11.976,13 0.795,14 168.219,15 3.715,16 25.319,17 15.722,18 168.219,19 2.926,20 13.044,21 26.727,22 36,23 -2.171,24 -2.171,25 3.645,26 15.689,27 4.334,28 8.734,29 2.957,30 0.432,31 0.749,32 10.99,33 0.947,34 15.248,35 15.248,36 15.248,37 15.248,38 15.248,39 1.304,40 64,41 5.056,42 141.099,43 1.091,44 0.694,45 34.582,46 21.931,47 0.975,48 2.33,49 3.862,50 -0.85,51 -0.85,52 0.946,53 3.846,54 3.337,55 156.609,56 3.796,57 4.054,58 -1.069,59 6.743,60 16.56,61 2.71,62 4.178,63 8.476,64 6.836,65 2.694,66 12.878,67 4.482,68 37.253,69 37.654,70 5.2}
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{0 CHEMBL1998121,1 2.81,2 78.122,3 96.248,4 11.862,5 15.022,6 176.08,7 421.395,8 18.5,9 1.062,10 206.877,11 15,12 12.157,13 0.868,14 206.877,15 3.919,16 27.143,17 16.578,18 204.877,19 2.878,20 13.461,21 28.523,22 42,23 -1.896,24 -1.896,25 3.799,26 16.511,27 4.556,28 9.545,29 2.922,30 0.637,31 0.824,32 11.58,33 1.071,34 16.162,35 16.162,36 16.162,37 16.162,38 16.162,39 1.339,40 74,41 5.361,42 154.106,43 1.046,44 0.725,45 40.567,46 23.338,47 1.055,48 2.358,49 3.906,50 -0.846,51 -0.846,52 1.013,53 3.84,54 3.375,55 187.367,56 3.843,57 4.428,58 -1.011,59 7.881,60 17.104,61 2.765,62 4.433,63 8.837,64 8.264,65 2.597,66 13.553,67 4.766,68 44.997,69 38.44,70 5.9}
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{0 CHEMBL1999112,1 2.847,2 93.477,3 105.915,4 13.7,5 18.873,6 192.337,7 461.063,8 25.12,9 1.377,10 231.46,11 19.25,12 14.47,13 1.2,14 231.46,15 4.003,16 30.986,17 19.657,18 227.46,19 2.99,20 16.341,21 31.506,22 47,23 0.027,24 0.027,25 3.932,26 20.298,27 4.77,28 11.656,29 3.086,30 1.507,31 1.195,32 14.062,33 1.812,34 19.845,35 19.845,36 19.845,37 19.845,38 19.845,39 1.634,40 101,41 6.528,42 189.054,43 1.415,44 2.08,45 45.32,46 26.587,47 1.269,48 2.714,49 4.098,50 0.014,51 0.014,52 1.329,53 4.089,54 3.518,55 217.46,56 3.983,57 5.33,58 0.019,59 9.967,60 20.543,61 2.769,62 4.521,63 10.781,64 8.644,65 3.024,66 16.123,67 4.859,68 48.953,69 47.957,70 5.9}
{0 CHEMBL1999120,1 1.591,2 42.025,3 51.953,4 6.367,5 14.527,6 98.981,7 233.272,8 5.918,9 0.642,10 98.587,11 9,12 6.592,13 0.073,14 98.587,15 3.481,16 15.601,17 9.489,18 98.587,19 2.396,20 7.595,21 15.972,22 26,23 -7.122,24 -7.122,25 3.354,26 9.139,27 4.058,28 5.127,29 2.498,30 -0.838,32 6.592,33 -1,34 9,35 9,36 9,37 9,38 9,39 -0.25,40 21,41 3.028,42 92.445,43 0.683,44 -0.742,45 25.494,46 13.511,47 0.399,48 0.742,49 3.367,50 -2,51 -2,52 0.322,53 3.247,54 2.817,55 98.587,56 3.253,57 2.402,58 -2.725,59 3.348,60 10.293,61 1.959,62 4.014,63 5.145,64 4.263,65 0.595,66 7.682,67 4.276,68 28.575,69 23.032,70 4.3}
{0 CHEMBL1999321,1 2.687,2 88.555,3 112.669,4 13.7,5 22.114,6 199.064,7 477.475,8 33.66,9 1.107,10 240.078,11 18.5,12 14.204,13 0.886,14 240.078,15 4.081,16 32.423,17 20.155,18 229.323,19 2.917,20 16.221,21 33.472,22 51,23 0.207,24 0.207,25 3.979,26 20.241,27 4.601,28 12.117,29 2.992,30 1.387,31 0.821,32 14.204,33 1.377,34 19.982,35 19.982,36 19.982,37 19.982,38 19.982,39 1.558,40 132,41 6.444,42 161.919,43 1.124,44 1.662,45 48.356,46 28.48,47 1.107,48 2.581,49 4.106,50 0.083,51 0.083,52 1.062,53 3.883,54 3.563,55 199.27,56 3.886,57 5.818,58 0.104,59 8.333,60 20.054,61 2.715,62 4.57,63 10.704,64 8.619,65 2.866,66 16.297,67 4.807,68 53.445,69 46.996,70 5.9}
{0 CHEMBL1999414,1 3.145,2 118.653,3 156.668,4 18.4,5 31.347,6 284.135,7 685.05,8 62.205,9 1.592,10 393.97,11 24,12 18.843,13 1.351,14 395.97,15 4.484,16 45.12,17 26.972,18 389.215,19 3.312,20 20.894,21 48.25,22 75,23 2.008,24 2.008,25 4.35,26 26.306,27 5.246,28 15.207,29 3.407,30 2.218,31 1.256,32 18.389,33 1.723,34 25.739,35 25.739,36 25.739,37 25.739,38 25.739,39 2.036,40 224,41 8.583,42 273.94,43 1.584,44 2.449,45 71.712,46 35.321,47 1.491,48 3.068,49 4.36,50 0.788,51 0.788,52 1.481,53 4.473,54 3.862,55 355.215,56 4.34,57 7.053,58 1.088,59 16.752,60 27.07,61 3.155,62 5.058,63 14.074,64 15.674,65 3.329,66 21.734,67 5.495,68 81.141,69 59.923,70 6.2}
{0 CHEMBL1999428,1 2.687,2 68.909,3 91.545,4 11.133,5 8.707,6 168.748,7 403.505,8 21.07,9 1.107,10 190.905,11 13.75,12 11.237,13 0.886,14 190.905,15 3.901,16 26.972,17 16.226,18 184.15,19 2.854,20 12.484,21 28.557,22 43,23 -1.963,24 -1.963,25 3.786,26 15.87,27 4.548,28 9.586,29 2.925,30 0.568,31 0.821,32 11.237,33 1,34 15.759,35 15.759,36 15.759,37 15.759,38 15.759,39 1.068,40 77,41 5.167,42 118.745,43 1.062,44 0.609,45 40.6,46 23.018,47 1.107,48 2.074,49 3.871,50 -0.89,51 -0.89,52 1.062,53 3.833,54 3.382,55 154.096,56 3.801,57 4.558,58 -1.303,59 8.37,60 16.071,61 2.715,62 4.415,63 8.47,64 8.273,65 2.5,66 13.012,67 4.792,68 45.528,69 36.871,70 5.9}
{0 CHEMBL1999484,1 2.866,2 86.742,3 112.392,4 13.133,5 30.151,6 198.723,7 476.645,8 27.221,9 1.293,10 244.683,11 18.75,12 13.633,13 1.047,14 244.683,15 4.159,16 31.551,17 19.42,18 240.683,19 3.1,20 15.955,21 33.779,22 53,23 -1.078,24 -1.078,25 4.019,26 19.378,27 4.728,28 11.138,29 3.183,30 0.888,31 0.978,32 13.225,33 1.146,34 18.679,35 18.679,36 18.679,37 18.679,38 18.679,39 1.569,40 109,41 6,42 182.261,43 1.3,44 1.364,45 49.858,46 26.339,47 1.15,48 2.622,49 4.04,50 -0.449,51 -0.449,52 1.112,53 4.065,54 3.515,55 225.073,56 3.945,57 5.255,58 -0.546,59 8.88,60 18.64,61 2.91,62 4.751,63 9.939,64 10.626,65 2.685,66 15.76,67 4.975,68 56.73,69 44.455,70 5.6}
{0 CHEMBL1999506,1 3.239,2 116.205,3 148.467,4 18.333,5 31.147,6 280.867,7 677.076,8 53.72,9 1.597,10 398.95,11 24.25,12 18.613,13 1.363,14 402.95,15 4.48,16 45.341,17 27.237,18 384.196,19 3.447,20 21.141,21 47.506,22 75,23 2.337,24 2.337,25 4.356,26 25.913,27 5.172,28 15.269,29 3.493,30 2.343,31 1.313,32 18.613,33 1.786,34 25.678,35 25.678,36 25.678,37 25.678,38 25.678,39 2.047,40 257,41 8.472,42 266.444,43 1.585,44 2.503,45 72.189,46 35.488,47 1.388,48 3.074,49 4.382,50 0.886,51 0.886,52 1.429,53 4.403,54 3.865,55 339.176,56 4.349,57 7.308,58 1.267,59 12.13,60 27.993,61 3.238,62 5.045,63 14.461,64 14.202,65 3.31,66 22.111,67 5.395,68 81.142,69 62.781,70 5.2}
{0 CHEMBL1999590,1 2.681,2 80.473,3 102.142,4 12.233,5 13.843,6 176.012,7 421.229,8 25.349,9 1.208,10 213.722,11 17.25,12 12.793,13 0.895,14 213.722,15 3.99,16 28.477,17 18.023,18 210.968,19 2.854,20 14.887,21 29.296,22 45,23 -1.358,24 -1.358,25 3.871,26 18.379,27 4.439,28 11.035,29 2.925,30 0.838,31 0.821,32 12.793,33 1,34 18.068,35 18.068,36 18.068,37 18.068,38 18.068,39 1.394,40 102,41 5.75,42 146.174,43 1.247,44 1.274,45 42.356,46 25.345,47 1.107,48 2.411,49 4.004,50 -0.542,51 -0.542,52 1.062,53 3.731,54 3.419,55 184.438,56 3.722,57 5.308,58 -0.715,59 5.549,60 17.769,61 2.715,62 4.474,63 9.485,64 5.652,65 2.737,66 14.247,67 4.647,68 47.275,69 42.901,70 5.9}
{0 CHEMBL1999714,1 2.207,2 50.817,3 66.782,4 8.133,5 17.388,6 119.976,7 284.502,8 8.401,9 0.909,10 136.127,11 10.75,12 8.237,13 0.608,14 136.127,15 3.599,16 19.392,17 11.947,18 132.127,19 2.624,20 9.527,21 20.273,22 31,23 -4.747,24 -4.747,25 3.483,26 11.598,27 4.149,28 6.756,29 2.697,30 -0.297,31 0.519,32 8.237,33 -0.027,34 11.516,35 11.516,36 11.516,37 11.516,38 11.516,39 1.009,40 33,41 3.667,42 88.069,43 0.876,44 -0.07,45 28.949,46 16.487,47 0.595,48 2.014,49 3.59,50 -1.625,51 -1.625,52 0.554,53 3.536,54 3.081,55 108.475,56 3.598,57 3.229,58 -2.183,59 5.147,60 11.828,61 2.398,62 4.103,63 6.265,64 5.789,65 1.644,66 9.886,67 4.38,68 32.282,69 28.444,70 5.9}
{0 CHEMBL1999718,1 2.622,2 79.087,3 86.281,4 11.69,5 19.502,6 161.021,7 384.651,8 24.923,9 1.057,10 181.362,11 17.25,12 11.152,13 0.832,14 181.362,15 3.834,16 26.079,17 16.872,18 179.362,19 2.909,20 14.614,21 25.341,22 38,23 -1.902,24 -1.902,25 3.734,26 17.559,27 4.345,28 9.888,29 2.963,30 0.76,31 0.786,32 12.364,33 1.043,34 17.082,35 17.082,36 17.082,37 17.082,38 17.082,39 1.547,40 118,41 5.639,42 133.853,43 1.065,44 1,45 37.909,46 25.324,47 0.991,48 2.594,49 3.982,50 -0.717,51 -0.717,52 0.98,53 3.607,54 3.332,55 159.853,56 3.753,57 4.628,58 -1,59 5.115,60 18.734,61 2.744,62 4.341,63 9.994,64 6.066,65 2.928,66 13.435,67 4.541,68 41.381,69 41.75,70 5.9}
{0 CHEMBL1999811,1 2.576,2 75.789,3 86.831,4 10.833,5 13.263,6 153.628,7 366.611,8 17.705,9 1.081,10 172.974,11 14.75,12 11.631,13 0.883,14 172.974,15 3.782,16 24.019,17 15.302,18 170.974,19 2.863,20 12.739,21 24.324,22 36,23 -2.26,24 -2.26,25 3.69,26 15.742,27 4.129,28 9.238,29 2.918,30 0.56,31 0.839,32 11.131,33 0.879,34 15.499,35 15.499,36 15.499,37 15.499,38 15.499,39 1.436,40 80,41 5.083,42 125.812,43 1.078,44 0.795,45 35.218,46 23.037,47 0.955,48 2.467,49 3.868,50 -0.905,51 -0.905,52 0.979,53 3.469,54 3.246,55 151.464,56 3.58,57 4.378,58 -1.253,59 4.585,60 16.234,61 2.695,62 4.184,63 8.415,64 5.513,65 2.645,66 12.05,67 4.326,68 38.285,69 36.811,70 5.9}
{0 CHEMBL1999931,1 2.757,2 91.969,3 116.156,4 14.233,5 15.901,6 201.133,7 482.525,8 34.329,9 1.279,10 248.078,11 19,12 14.759,13 1.066,14 250.078,15 4.122,16 33.004,17 20.995,18 233.814,19 3.038,20 17.152,21 34.057,22 52,23 1.486,24 1.486,25 4.003,26 21.073,27 4.608,28 12.514,29 3.104,30 2.087,31 1.033,32 14.759,33 1.323,34 20.878,35 20.878,36 20.878,37 20.878,38 20.878,39 1.681,40 134,41 6.528,42 160.67,43 1.32,44 2.206,45 48.24,46 28.712,47 1.107,48 2.689,49 4.154,50 0.599,51 0.599,52 1.071,53 3.936,54 3.593,55 195.708,56 3.983,57 6.023,58 0.881,59 6.78,60 20.338,61 2.896,62 4.61,63 11.024,64 7.906,65 2.939,66 17.303,67 4.826,68 53.69,69 50.952,70 5.9}
{0 CHEMBL2000029,1 2.834,2 87.901,3 118.966,4 13.9,5 13.969,6 200.064,7 479.917,8 25.696,9 1.417,10 255.611,11 18,12 14.204,13 1.207,14 258.366,15 4.142,16 32.816,17 20.552,18 241.246,19 3.073,20 16.621,21 34.364,22 53,23 0.159,24 0.159,25 4.012,26 20.254,27 4.788,28 11.833,29 3.153,30 1.33,31 1.127,32 14.204,33 1.346,34 20.068,35 20.068,36 20.068,37 20.068,38 20.068,39 1.562,40 111,41 6.278,42 168.717,43 1.418,44 2.11,45 48.796,46 26.956,47 1.141,48 2.568,49 4.121,50 0.062,51 0.062,52 1.145,53 4.105,54 3.593,55 204.982,56 4.05,57 5.633,58 0.076,59 8.382,60 19.794,61 2.927,62 4.645,63 10.637,64 8.801,65 2.886,66 17.165,67 5.019,68 54.896,69 49.987,70 5.2}
{0 CHEMBL2000071,1 2.49,2 61.913,3 80.595,4 9.433,5 8.984,6 143.157,7 341.063,8 14.52,9 1.107,10 172.117,11 13.25,12 9.898,13 0.886,14 172.117,15 3.825,16 22.961,17 14.1,18 169.362,19 2.854,20 11.333,21 24.046,22 38,23 -2.517,24 -2.517,25 3.696,26 14.399,27 4.351,28 8.815,29 2.923,30 0.5,31 0.816,32 9.898,33 0.685,34 14.113,35 14.113,36 14.113,37 14.113,38 14.113,39 1,40 74,41 4.611,42 133.346,43 1.062,44 0.5,45 36.036,46 19.7,47 0.907,48 2,49 3.744,50 -1,51 -1,52 0.891,53 3.624,54 3.21,55 161.753,56 3.592,57 4.153,58 -1.5,59 5.449,60 13.786,61 2.664,62 4.357,63 7.338,64 5.667,65 2.5,66 11.364,67 4.581,68 40.694,69 32.136,70 5.9}
{0 CHEMBL2000078,1 3.342,2 146.069,3 180.452,4 22.133,5 33.98,6 318.59,7 769.12,8 68.028,9 1.665,10 461.244,11 31.25,12 23.095,13 1.456,14 461.244,15 4.596,16 52.33,17 32.812,18 453.244,19 3.477,20 27.413,21 54.949,22 85,23 2.811,24 2.811,25 4.486,26 33.166,27 5.32,28 19.381,29 3.54,30 2.656,31 1.387,32 22.64,33 2.064,34 32.109,35 32.109,36 32.109,37 32.109,38 32.109,39 2.216,40 288,41 10.111,42 305.025,43 1.693,44 2.802,45 79.258,46 40.241,47 1.603,48 3.309,49 4.577,50 1.259,51 1.259,52 1.62,53 4.57,54 4.037,55 401.628,56 4.489,57 9.232,58 1.716,59 16.172,60 31.296,61 3.294,62 5.167,63 17.009,64 15.159,65 3.491,66 27.113,67 5.525,68 88.434,69 77.327,70 5.2}
{0 CHEMBL2000114,1 2.118,2 55.283,3 68.365,4 7.767,5 11.313,6 122.502,7 290.664,8 9.625,9 0.869,10 136.452,11 10.75,12 8.421,13 0.487,14 136.452,15 3.644,16 18.622,17 11.236,18 136.452,19 2.351,20 9.057,21 19.932,22 31,23 -4.948,24 -4.948,25 3.513,26 11.773,27 4.103,28 6.934,29 2.459,30 -0.5,31 0.395,32 7.864,33 -0.038,34 11.207,35 11.207,36 11.207,37 11.207,38 11.207,39 0.594,40 50,41 3.833,42 112.677,43 0.865,44 -0.413,45 30.229,46 16.066,47 0.593,48 1.562,49 3.508,50 -1.841,51 -1.841,52 0.557,53 3.348,54 2.977,55 136.452,56 3.304,57 3.138,58 -2.525,59 4.665,60 11.38,61 2.168,62 4.197,63 5.866,64 4.22,65 1.471,66 8.763,67 4.354,68 34.199,69 24.256,70 5.9}
{0 CHEMBL2000335,1 2.898,2 88.18,3 114.657,4 13.667,5 18.168,6 199.533,7 478.621,8 27.929,9 1.33,10 233.556,11 18,12 13.962,13 1.072,14 241.556,15 4.078,16 31.697,17 19.56,18 226.801,19 3.114,20 15.967,21 33.461,22 50,23 -0.734,24 -0.734,25 3.959,26 19.238,27 4.739,28 10.924,29 3.184,30 1.042,31 1.014,32 13.508,33 1.088,34 18.809,35 18.809,36 18.809,37 18.809,38 18.809,39 1.713,40 114,41 6.056,42 177.375,43 1.313,44 1.307,45 47.098,46 27.201,47 1.216,48 2.8,49 4.07,50 -0.313,51 -0.313,52 1.218,53 4.068,54 3.546,55 207.15,56 4,57 5.183,58 -0.392,59 10.512,60 19.673,61 2.927,62 4.577,63 10.288,64 9.943,65 2.978,66 15.97,67 4.987,68 52.527,69 46.458,70 5.9}
{0 CHEMBL2000354,1 2.687,2 74.082,3 91.11,4 11.133,5 14.539,6 162.022,7 387.093,8 20.442,9 1.107,10 179.995,11 14.5,12 11.56,13 0.883,14 179.995,15 3.814,16 25.535,17 15.762,18 177.24,19 2.875,20 13.043,21 26.591,22 39,23 -2.069,24 -2.069,25 3.732,26 16.095,27 4.266,28 9.286,29 2.93,30 0.659,31 0.821,32 11.152,33 1.01,34 15.61,35 15.61,36 15.61,37 15.61,38 15.61,39 1.339,40 83,41 5.139,42 133.466,43 1.062,44 0.779,45 37.564,46 22.867,47 1.052,48 2.36,49 3.869,50 -0.845,51 -0.845,52 1.046,53 3.645,54 3.326,55 157.24,56 3.659,57 4.38,58 -1.182,59 7.257,60 16.234,61 2.715,62 4.283,63 8.454,64 6.546,65 2.762,66 12.501,67 4.436,68 41.036,69 36.464,70 5.9}
{0 CHEMBL2000393,1 2.833,2 96.564,3 105.914,4 14.138,5 27.218,6 186.803,7 447.558,8 25.819,9 1.155,10 243.133,11 22.75,12 14.293,13 0.941,14 243.133,15 4.095,16 31.959,17 21.3,18 241.133,19 3.003,20 18.897,21 31.625,22 50,23 1.371,24 1.371,25 3.998,26 21.944,27 4.778,28 12.146,29 3.051,30 1.755,31 0.898,32 15.097,33 1.563,34 21.309,35 21.309,36 21.309,37 21.309,38 21.309,39 1.852,40 112,41 6.528,42 187.259,43 1.181,44 2.088,45 46.709,46 28.431,47 1.079,48 2.896,49 4.195,50 0.514,51 0.514,52 1.11,53 4.036,54 3.574,55 223.624,56 4.085,57 5.741,58 0.629,59 8.146,60 21.112,61 2.818,62 4.663,63 11.556,64 7.75,65 2.995,66 18.358,67 4.953,68 51.164,69 55.741,70 6.2}
{0 CHEMBL2000408,1 2.893,2 96.194,3 118.112,4 14.805,5 17.09,6 219.705,7 527.841,8 31.508,9 1.363,10 294.192,11 21.5,12 14.376,13 1.061,14 294.192,15 4.258,16 35.878,17 22.109,18 288.192,19 3.117,20 18.107,21 36.978,22 59,23 0.235,24 0.235,25 4.133,26 21.486,27 4.897,28 11.858,29 3.21,30 1.369,31 0.973,32 15.181,33 1.335,34 20.972,35 20.972,36 20.972,37 20.972,38 20.972,39 1.962,40 148,41 6.861,42 217.702,43 1.349,44 1.402,45 56.8,46 29.219,47 1.315,48 3.039,49 4.191,50 0.092,51 0.092,52 1.305,53 4.187,54 3.639,55 276.192,56 4.152,57 5.562,58 0.115,59 10.007,60 23.043,61 2.876,62 4.844,63 11.898,64 10.517,65 3.182,66 18.129,67 5.105,68 64.031,69 53.233,70 5.9}
{0 CHEMBL2000429,1 2.867,2 103.056,3 124.872,4 15.638,5 18.709,6 233.294,7 560.997,8 36.225,9 1.346,10 315.394,11 23,12 15.376,13 1.069,14 315.394,15 4.324,16 38.119,17 23.442,18 315.394,19 3.117,20 19.361,21 39.194,22 63,23 0.477,24 0.477,25 4.203,26 23.053,27 4.947,28 12.851,29 3.206,30 1.375,31 0.977,32 16.181,33 1.491,34 22.386,35 22.386,36 22.386,37 22.386,38 22.386,39 1.927,40 164,41 7.361,42 233.275,43 1.349,44 1.825,45 61.01,46 30.771,47 1.315,48 3.013,49 4.25,50 0.34,51 0.34,52 1.299,53 4.204,54 3.689,55 291.394,56 4.186,57 6.028,58 0.348,59 9.254,60 24.457,61 2.883,62 4.915,63 12.65,64 10.945,65 3.117,66 19.048,67 5.154,68 68.655,69 55.872,70 5.9}
{0 CHEMBL2000481,1 3.002,2 107.78,3 123.931,4 15.667,5 17.323,6 227.779,7 547.542,8 36.408,9 1.379,10 292.764,11 20.5,12 16.707,13 1.148,14 294.764,15 4.209,16 36.368,17 22.621,18 278.399,19 3.263,20 18.129,21 37.585,22 57,23 0.357,24 0.357,25 4.106,26 22.438,27 4.856,28 13.079,29 3.296,30 1.487,31 1.118,32 15.886,33 1.42,34 22.17,35 22.17,36 22.17,37 22.17,38 22.17,39 1.821,40 168,41 7.264,42 189.115,43 1.405,44 2.469,45 54.963,46 31.066,47 1.162,48 2.829,49 4.225,50 0.222,51 0.222,52 1.165,53 4.155,54 3.678,55 235.38,56 4.16,57 6.108,58 0.234,59 10.224,60 23.424,61 3.073,62 4.726,63 12.464,64 10.789,65 3.015,66 18.695,67 5.028,68 60.571,69 53.783,70 5.9}
{0 CHEMBL2000508,1 2.623,2 68.812,3 81.269,4 10.319,5 1.628,6 141.04,7 335.897,8 13.986,9 1.107,10 137.58,11 14,12 10.387,13 0.886,14 137.58,15 3.676,16 22.742,17 14.673,18 137.58,19 2.783,20 12.732,21 23.648,22 34,23 -2.818,24 -2.818,25 3.588,26 15.138,27 4.178,28 8.709,29 2.833,30 0.5,31 0.821,32 10.326,33 0.985,34 14.637,35 14.637,36 14.637,37 14.637,38 14.637,39 1.078,40 66,41 4.556,42 98.851,43 1.062,44 0.5,45 31.429,46 20.259,47 0.868,48 2.109,49 3.806,50 -1,51 -1,52 0.877,53 3.63,54 3.257,55 128.07,56 3.628,57 4.163,58 -1.5,59 5.012,60 14.234,61 2.635,62 4.162,63 7.72,64 4.794,65 2.5,66 12.261,67 4.342,68 34.415,69 36.356,70 5.9}
{0 CHEMBL2000568,1 2.154,2 53.909,3 70.479,4 8.633,5 2.428,6 126.641,7 300.764,8 10.617,9 0.929,10 142.452,11 11.25,12 8.737,13 0.673,14 142.452,15 3.617,16 20.392,17 12.599,18 140.452,19 2.699,20 9.997,21 21.273,22 32,23 -4.606,24 -4.606,25 3.509,26 12.297,27 4.071,28 7.172,29 2.771,30 -0.104,31 0.597,32 8.737,33 0.314,34 12.223,35 12.223,36 12.223,37 12.223,38 12.223,39 1.023,40 40,41 3.917,42 98.187,43 0.908,44 0.408,45 29.949,46 17.868,47 0.781,48 2.027,49 3.639,50 -1.598,51 -1.598,52 0.741,53 3.492,54 3.129,55 124.942,56 3.514,57 3.386,58 -2.091,59 5.263,60 12.535,61 2.54,62 4.122,63 6.611,64 5.203,65 2.5,66 10.315,67 4.308,68 33.282,69 30.305,70 5.4}
{0 CHEMBL2000724,1 2.687,2 75.161,3 96.556,4 11.933,5 7.907,6 169.088,7 404.336,8 20.576,9 1.199,10 193.376,11 15.5,12 12.152,13 0.979,14 193.376,15 3.889,16 27.434,17 17.279,18 187.376,19 2.854,20 14.077,21 28.284,22 42,23 -1.2,24 -1.2,25 3.787,26 17.295,27 4.532,28 9.909,29 2.925,30 0.892,31 0.916,32 12.152,33 1.057,34 17.11,35 17.11,36 17.11,37 17.11,38 17.11,39 1.548,40 104,41 5.472,42 139.562,43 1.209,44 1.092,45 39.153,46 24.069,47 1.107,48 2.562,49 3.966,50 -0.48,51 -0.48,52 1.062,53 3.908,54 3.422,55 160.846,56 3.889,57 4.618,58 -0.627,59 6.681,60 17.389,61 2.715,62 4.363,63 9.144,64 7.188,65 2.894,66 14.286,67 4.743,68 43.279,69 42.338,70 5.2}
{0 CHEMBL2000801,1 2.808,2 95.403,3 108.031,4 14.01,5 16.455,6 190.737,7 457.159,8 30.333,9 1.107,10 218.574,11 19,12 13.141,13 0.961,14 220.574,15 3.996,16 31.187,17 20.017,18 211.065,19 2.985,20 17.269,21 31.199,22 46,23 -0.128,24 -0.128,25 3.908,26 20.325,27 4.59,28 11.429,29 3.033,30 1.319,31 0.941,32 14.309,33 1.429,34 19.781,35 19.781,36 19.781,37 19.781,38 19.781,39 1.725,40 96,41 6.361,42 149.301,43 1.102,44 1.468,45 44.945,46 28.786,47 1.105,48 2.783,49 4.132,50 -0.053,51 -0.053,52 1.062,53 3.926,54 3.54,55 179.845,56 3.976,57 5.425,58 -0.067,59 8.127,60 21.303,61 2.875,62 4.51,63 11.84,64 9.333,65 3.048,66 16.499,67 4.78,68 48.89,69 50.002,70 5.9}
{0 CHEMBL2000832,1 2.999,2 109.421,3 133.341,4 16.819,5 29.411,6 238.972,7 574.85,8 49.198,9 1.397,10 333.008,11 23,12 17.012,13 1.162,14 333.008,15 4.28,16 39.575,17 24.735,18 323.008,19 3.225,20 20.196,21 40.387,22 62,23 1.171,24 1.171,25 4.183,26 24.731,27 5.02,28 14.055,29 3.288,30 1.771,31 1.099,32 17.406,33 1.888,34 24.35,35 24.35,36 24.35,37 24.35,38 24.35,39 2.007,40 180,41 7.833,42 206.432,43 1.42,44 2.587,45 58.963,46 33.281,47 1.272,48 3.047,49 4.322,50 0.53,51 0.53,52 1.275,53 4.293,54 3.768,55 266.902,56 4.305,57 6.604,58 0.615,59 12.634,60 25.233,61 2.964,62 4.785,63 13.352,64 12.159,65 3.303,66 20.43,67 5.228,68 64.824,69 59.774,70 5.9}
{0 CHEMBL2000894,1 2.737,2 87.623,3 110.303,4 13.6,5 19.707,6 196.266,7 470.648,8 26.193,9 1.18,10 246.311,11 18.25,12 13.99,13 0.978,14 246.311,15 4.079,16 31.918,17 19.812,18 244.311,19 3.058,20 15.977,21 32.716,22 50,23 -0.543,24 -0.543,25 3.97,26 19.803,27 4.832,28 11.325,29 3.091,30 1.18,31 0.943,32 13.99,33 1.372,34 19.577,35 19.577,36 19.577,37 19.577,38 19.577,39 1.746,40 109,41 6.389,42 178.747,43 1.206,44 1.469,45 47.574,46 26.763,47 1.107,48 2.778,49 4.103,50 -0.228,51 -0.228,52 1.062,53 4.147,54 3.548,55 220.311,56 4.089,57 5.276,58 -0.307,59 10.436,60 20.543,61 2.893,62 4.558,63 10.706,64 9.504,65 3.004,66 16.293,67 5.016,68 52.528,69 48.175,70 5.9}
{0 CHEMBL2001019,1 2.76,2 87.356,3 102.785,4 13.033,5 12.435,6 182.207,7 436.346,8 27.459,9 1.351,10 234.215,11 19.25,12 13.797,13 1.017,14 234.215,15 4.065,16 29.993,17 19.522,18 234.215,19 3.007,20 16.506,21 30.546,22 48,23 -0.078,24 -0.078,25 3.945,26 20.024,27 4.516,28 11.66,29 3.07,30 1.317,31 0.933,32 13.797,33 1.326,34 19.627,35 19.627,36 19.627,37 19.627,38 19.627,39 1.593,40 130,41 6.111,42 173.056,43 1.387,44 2.047,45 44.676,46 26.87,47 1.164,48 2.603,49 4.091,50 -0.029,51 -0.029,52 1.156,53 3.864,54 3.487,55 217.85,56 3.89,57 5.508,58 -0.038,59 6.024,60 18.924,61 2.858,62 4.597,63 10.261,64 6.622,65 2.896,66 16.127,67 4.738,68 49.857,69 48.051,70 5.2}
{0 CHEMBL2001149,1 2.812,2 103.485,3 129.178,4 16.1,5 7.807,6 221.128,7 531.312,8 40.937,9 1.154,10 223.294,11 21.5,12 16.511,13 0.95,14 223.294,15 4.167,16 36.39,17 23.169,18 223.294,19 2.941,20 19.714,21 37.909,22 56,23 1.183,24 1.183,25 4.077,26 23.148,27 4.633,28 13.127,29 2.991,30 1.945,31 0.917,32 16.102,33 1.539,34 22.668,35 22.668,36 22.668,37 22.668,38 22.668,39 1.972,40 154,41 6.944,42 160.688,43 1.188,44 2.5,45 51.323,46 31.565,47 1.148,48 3.043,49 4.255,50 0.471,51 0.471,52 1.182,53 4.122,54 3.722,55 191.991,56 4.15,57 6.346,58 0.687,59 8.562,60 22.363,61 2.83,62 4.629,63 12.127,64 9.995,65 3.386,66 19.689,67 4.841,68 56.238,69 57.982,70 5.2}
{0 CHEMBL2001224,1 2.697,2 81.924,3 96.578,4 12.381,5 22.43,6 185.203,7 443.654,8 24.183,9 1.167,10 215.46,11 17.25,12 12.835,13 0.937,14 215.46,15 4.004,16 29.052,17 17.956,18 215.46,19 2.983,20 14.58,21 30.125,22 46,23 -0.948,24 -0.948,25 3.891,26 17.92,27 4.465,28 10.362,29 3.029,30 0.832,31 0.886,32 12.546,33 1.152,34 17.472,35 17.472,36 17.472,37 17.472,38 17.472,39 1.495,40 118,41 5.806,42 171.195,43 1.198,44 1.023,45 44.673,46 25.283,47 1.025,48 2.559,49 3.983,50 -0.398,51 -0.398,52 1.006,53 3.756,54 3.423,55 201.46,56 3.817,57 4.899,58 -0.513,59 6.396,60 18.518,61 2.812,62 4.579,63 9.569,64 7.897,65 2.919,66 14.419,67 4.635,68 49.761,69 40.951,70 5.9}
{0 CHEMBL2001228,1 3.314,2 142.641,3 169.713,4 21.3,5 29.023,6 295.348,7 712.409,8 61.192,9 1.488,10 401.488,11 30.25,12 21.879,13 1.367,14 401.488,15 4.474,16 48.245,17 30.851,18 386.733,19 3.326,20 26.433,21 50.006,22 75,23 2.812,24 2.812,25 4.373,26 31.417,27 5.168,28 17.979,29 3.36,30 2.656,31 1.363,32 21.547,33 2.032,34 30.43,35 30.43,36 30.43,37 30.43,38 30.43,39 2.159,40 266,41 9.528,42 274.356,43 1.504,44 2.848,45 70.116,46 38.753,47 1.429,48 3.232,49 4.532,50 1.259,51 1.259,52 1.397,53 4.487,54 3.967,55 341.714,56 4.444,57 8.549,58 1.716,59 13.874,60 30.045,61 3.161,62 5.022,63 16.308,64 13.407,65 3.41,66 25.78,67 5.355,68 77.263,69 75.294,70 5.7}
{0 CHEMBL2001239,1 2.786,2 93.828,3 106.195,4 13.638,5 23.318,6 192.664,7 461.86,8 30.8,9 1.157,10 223.46,11 20.25,12 13.207,13 0.886,14 223.46,15 4.043,16 30.696,17 19.469,18 223.46,19 2.937,20 17.104,21 30.182,22 46,23 -0.745,24 -0.745,25 3.935,26 20.026,27 4.701,28 11.117,29 3.035,30 1.015,31 0.821,32 14.13,33 1.216,34 19.281,35 19.281,36 19.281,37 19.281,38 19.281,39 1.652,40 112,41 6.417,42 181.544,43 1.178,44 1.194,45 46.429,46 28.078,47 1.107,48 2.724,49 4.115,50 -0.317,51 -0.317,52 1.062,53 3.894,54 3.471,55 209.95,56 3.912,57 5.308,58 -0.397,59 7.902,60 21.889,61 2.715,62 4.55,63 11.991,64 8.158,65 2.944,66 15.426,67 4.903,68 50.863,69 48.008,70 6.1}
{0 CHEMBL2001257,1 3.04,2 109.158,3 147.412,4 17.167,5 27.434,6 260.825,7 628.173,8 51.086,9 1.523,10 337.735,11 21.75,12 17.432,13 1.302,14 339.735,15 4.362,16 41.33,17 24.819,18 332.98,19 3.306,20 19.392,21 44.267,22 67,23 0.791,24 0.791,25 4.234,26 24.352,27 5.038,28 14.048,29 3.404,30 1.618,31 1.251,32 16.978,33 1.813,34 23.825,35 23.825,36 23.825,37 23.825,38 23.825,39 2.012,40 179,41 7.889,42 250.177,43 1.505,44 2.273,45 63.516,46 32.929,47 1.439,48 3.054,49 4.283,50 0.618,51 0.618,52 1.399,53 4.375,54 3.785,55 310.98,56 4.249,57 6.508,58 0.618,59 14.364,60 24.786,61 3.089,62 4.914,63 12.895,64 14.053,65 3.31,66 19.907,67 5.281,68 71.603,69 55.608,70 6.1}
{0 CHEMBL2001288,1 2.438,2 75.634,3 77.403,4 9.976,5 14.107,6 140.345,7 334.203,8 12.12,9 0.972,10 156,11 14.25,12 10.407,13 0.619,14 156,15 3.759,16 21.39,17 13.471,18 154,19 2.626,20 11.895,21 22.551,22 34,23 -3.44,24 -3.44,25 3.658,26 13.901,27 4.354,28 7.413,29 2.659,30 -0.109,31 0.556,32 9.541,33 0.565,34 13.284,35 13.284,36 13.284,37 13.284,38 13.284,39 0.976,40 54,41 4.389,42 126.226,43 0.998,44 -0.017,45 33.422,46 19.156,47 0.746,48 2.06,49 3.728,50 -1.366,51 -1.366,52 0.803,53 3.639,54 3.118,55 144.49,56 3.621,57 3.358,58 -1.478,59 8.709,60 14.439,61 2.257,62 4.307,63 7.454,64 6.529,65 2.201,66 11.369,67 4.56,68 36.711,69 33.844,70 5.9}
{0 CHEMBL2001398,1 2.687,2 76.429,3 104.164,4 12.267,5 11.378,6 192.188,7 460.698,8 25.095,9 1.308,10 232.909,11 15.75,12 12.243,13 0.963,14 232.909,15 4.13,16 30.783,17 18.21,18 228.909,19 2.975,20 14.111,21 32.546,22 52,23 -1.951,24 -1.951,25 3.995,26 16.945,27 4.779,28 9.56,29 3.084,30 0.613,31 0.896,32 12.243,33 1,34 16.74,35 16.74,36 16.74,37 16.74,38 16.74,39 1.459,40 95,41 5.514,42 179.948,43 1.246,44 0.779,45 49.898,46 24.969,47 1.308,48 2.477,49 3.979,50 -0.706,51 -0.706,52 1.239,53 4.038,54 3.489,55 211.399,56 3.993,57 4.513,58 -0.871,59 9.003,60 18.897,61 2.766,62 4.684,63 9.572,64 11.392,65 2.581,66 14.896,67 5.029,68 56.564,69 42.559,70 5.2}
{0 CHEMBL2001485,1 3.115,2 121.267,3 156.799,4 18.8,5 26.913,6 277.681,7 669.302,8 59.813,9 1.535,10 364.928,11 25.25,12 19.161,13 1.318,14 366.928,15 4.444,16 44.561,17 27.303,18 358.928,19 3.315,20 21.949,21 46.972,22 72,23 2.275,24 2.275,25 4.319,26 26.466,27 5.161,28 14.897,29 3.393,30 2.42,31 1.263,32 18.706,33 2.004,34 25.947,35 25.947,36 25.947,37 25.947,38 25.947,39 2.133,40 252,41 8.417,42 272.822,43 1.533,44 2.5,45 68.163,46 35.771,47 1.409,48 3.182,49 4.392,50 1,51 1,52 1.381,53 4.482,54 3.863,55 340.928,56 4.368,57 7.045,58 1.383,59 14.935,60 27.681,61 3.14,62 4.991,63 14.391,64 14.883,65 3.489,66 22.362,67 5.383,68 76.394,69 65.102,70 6.8}
{0 CHEMBL2001547,1 2.864,2 93.533,3 113.578,4 14.305,5 16.265,6 210.113,7 504.435,8 29.798,9 1.337,10 277.315,11 21,12 13.96,13 1.06,14 277.315,15 4.208,16 34.351,17 21.334,18 277.315,19 3.094,20 17.736,21 35.216,22 56,25 4.086,26 21.026,27 4.811,28 11.75,29 3.191,30 1.302,31 0.964,32 14.764,33 1.342,34 20.472,35 20.472,36 20.472,37 20.472,38 20.472,39 1.734,40 125,41 6.653,42 207.068,43 1.332,44 1.593,45 53.916,46 28.422,47 1.308,48 2.789,49 4.163,52 1.239,53 4.094,54 3.598,55 257.05,56 4.078,57 5.503,59 8.536,60 22.173,61 2.861,62 4.783,63 11.535,64 8.848,65 3.116,66 17.458,67 5.007,68 60.615,69 51.608,70 5.9}
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{0 CHEMBL2001613,1 0.967,2 41.482,3 44.394,4 5.967,5 3.801,6 80.919,7 189.203,8 3.405,10 64,11 6.75,12 5.848,14 64,15 3.052,16 11.836,17 7.441,18 64,19 1.503,20 6.411,21 12.341,22 17,25 2.962,26 7.57,27 2.845,28 4.222,29 1.694,32 5.271,33 -1.665,34 7.293,35 7.293,36 7.293,37 7.293,38 7.293,39 -0.623,40 15,41 2.389,42 54.49,45 16.527,46 10.65,48 0.17,49 3.148,53 2.611,54 2.586,55 59.245,56 2.865,57 2.001,59 1.896,60 7.845,61 1.103,62 3.451,63 4.002,64 2.542,65 0.285,66 5.976,67 3.048,68 17.878,69 18.139,70 4.5}
{0 CHEMBL2001751,1 2.922,2 109.862,3 137.858,4 17.1,5 16.112,6 242.77,7 584.12,8 43.676,9 1.59,10 348.413,11 23.5,12 17.636,13 1.371,14 348.413,15 4.324,16 40.498,17 25.415,18 346.413,19 3.36,20 20.752,21 42,22 65,23 1.93,24 1.93,25 4.219,26 25.175,27 4.98,28 14.701,29 3.414,30 2.294,31 1.305,32 17.636,33 1.589,34 24.894,35 24.894,36 24.894,37 24.894,38 24.894,39 2.008,40 178,41 7.75,42 236.226,43 1.586,44 2.588,45 60.225,46 33.517,47 1.394,48 3.027,49 4.335,50 0.748,51 0.748,52 1.453,53 4.29,54 3.805,55 311.194,56 4.247,57 7.043,58 1.094,59 11.988,60 24.485,61 3.203,62 4.846,63 13.287,64 12.562,65 3.136,66 21.416,67 5.187,68 66.773,69 61.872,70 6.3}
{0 CHEMBL2001920,1 2.423,2 68.663,3 78.272,4 9.967,5 14.277,6 129.371,7 307.425,8 9.778,9 0.353,10 104.042,11 11.5,12 9.833,14 104.042,15 3.372,16 18.925,17 12.203,18 104.042,19 2.457,20 10.775,21 20.091,22 25,23 -4.658,24 -4.658,25 3.322,26 12.323,27 3.807,28 6.698,29 2.508,30 -0.214,32 8.559,33 0.817,34 11.809,35 11.809,36 11.809,37 11.809,38 11.809,39 1.069,40 41,41 3.806,42 86.532,43 0.312,44 -0.018,45 24.007,46 17.368,47 0.206,48 2.106,49 3.63,50 -1.599,51 -1.599,52 0.203,53 3.444,54 3.068,55 95.287,56 3.485,57 3.195,58 -2,59 4.111,60 12.861,61 2.258,62 3.827,63 6.64,64 3.727,65 1.725,66 10.252,67 3.881,68 24.927,69 31,70 5.9}
{0 CHEMBL2001923,1 3.291,2 153.891,3 185.299,4 23.357,5 44.122,6 325.514,7 786.013,8 92.853,9 1.661,10 479.319,11 33.5,12 23.175,13 1.497,14 479.319,15 4.64,16 55.303,17 35.187,18 474.564,19 3.439,20 29.512,21 56.625,22 89,23 3.646,24 3.646,25 4.536,26 35.132,27 5.447,28 20.02,29 3.493,30 2.783,31 1.455,32 24.39,33 2.475,34 34.341,35 34.341,36 34.341,37 34.341,38 34.341,39 2.267,40 400,41 10.694,42 318.891,43 1.682,44 2.977,45 83.283,46 43.794,47 1.635,48 3.372,49 4.662,50 1.35,51 1.35,52 1.626,53 4.714,54 4.109,55 418.194,56 4.666,57 9.57,58 1.9,59 20.006,60 34.191,61 3.28,62 5.222,63 18.697,64 19.11,65 3.587,66 29.913,67 5.674,68 92.367,69 86.143,70 5.2}
{0 CHEMBL2001957,1 2.894,2 106.811,3 120.939,4 15.71,5 17.082,6 226.098,7 543.439,8 41.404,9 1.344,10 296.21,11 24,12 15.02,13 1.068,14 296.21,15 4.287,16 37.359,17 23.512,18 296.21,19 3.117,20 20.246,21 37.307,22 60,23 1.234,24 1.234,25 4.175,26 23.683,27 4.91,28 13.017,29 3.206,30 1.722,31 0.977,32 16.561,33 1.462,34 22.834,35 22.834,36 22.834,37 22.834,38 22.834,39 1.978,40 172,41 7.458,42 233.091,43 1.349,44 1.826,45 59.152,46 31.705,47 1.315,48 3.07,49 4.278,50 0.478,51 0.478,52 1.299,53 4.152,54 3.67,55 282.6,56 4.144,57 6.123,58 0.584,59 8.934,60 25.217,61 2.883,62 4.884,63 13.455,64 9.98,65 3.21,66 19.102,67 5.114,68 65.919,69 57.633,70 5.9}
{0 CHEMBL2001987,1 2.542,2 79.757,3 80.604,4 11.362,5 19.433,6 152.886,7 364.801,8 19.692,9 0.946,10 174.77,11 17.5,12 10.22,13 0.697,14 174.77,15 3.825,16 25.351,17 16.606,18 170.77,19 2.773,20 14.862,21 23.972,22 37,23 -1.965,24 -1.965,25 3.729,26 17.329,27 4.378,28 9.633,29 2.849,30 0.672,31 0.642,32 12.253,33 1.189,34 16.764,35 16.764,36 16.764,37 16.764,38 16.764,39 1.406,40 76,41 5.528,42 129.609,43 0.972,44 0.904,45 37.716,46 24.964,47 0.853,48 2.46,49 3.979,50 -0.74,51 -0.74,52 0.828,53 3.517,54 3.305,55 151.26,56 3.719,57 4.553,58 -0.972,59 5.075,60 18.897,61 2.573,62 4.346,63 10.249,64 5.718,65 2.834,66 13.33,67 4.549,68 40.977,69 42.248,70 5.2}
{0 CHEMBL2002099,1 2.583,2 70.932,3 87.719,4 10.9,5 6.822,6 161.613,7 386.096,8 17.149,9 1.414,10 197.66,11 15.5,12 11.365,13 1.145,14 197.66,15 3.964,16 26.289,17 16.561,18 197.66,19 2.869,20 13.317,21 27.603,22 44,23 -1.489,24 -1.489,25 3.83,26 16.506,27 4.649,28 9.756,29 2.979,30 0.693,31 1.058,32 11.365,33 1,34 16.215,35 16.215,36 16.215,37 16.215,38 16.215,39 1.202,40 62,41 5.139,42 153.03,43 1.442,44 0.902,45 40.912,46 22.279,47 1.12,48 2.216,49 3.888,50 -0.743,51 -0.743,52 1.123,53 3.896,54 3.361,55 187.66,56 3.793,57 4.518,58 -1.039,59 7.672,60 15.648,61 2.635,62 4.579,63 8.479,64 7.725,65 2.5,66 14.166,67 4.893,68 46.481,69 38.937,70 5.2}
{0 CHEMBL2002165,1 2.993,2 113.397,3 140.416,4 17.186,5 21.644,6 246.236,7 592.575,8 50.25,9 1.493,10 328.321,11 23.25,12 17.428,13 1.209,14 330.321,15 4.315,16 39.87,17 24.901,18 323.566,19 3.259,20 20.692,21 41.381,22 63,23 2.07,24 2.07,25 4.201,26 24.729,27 4.956,28 14.156,29 3.308,30 2.258,31 1.17,32 17.368,33 1.865,34 24.187,35 24.187,36 24.187,37 24.187,38 24.187,39 1.992,40 188,41 7.75,42 242.547,43 1.515,44 2.5,45 59.807,46 33.496,47 1.35,48 3.048,49 4.319,50 0.807,51 0.807,52 1.308,53 4.312,54 3.769,55 299.566,56 4.229,57 6.774,58 1.153,59 12.258,60 25.233,61 3.097,62 4.822,63 13.29,64 12.247,65 3.295,66 20.603,67 5.149,68 66.405,69 60.103,70 7.7}
{0 CHEMBL2002432,1 2.624,2 70.437,3 92.468,4 10.833,5 18.974,6 163.751,7 391.312,8 18.876,9 1.116,10 180.621,11 14.5,12 11.112,13 0.886,14 180.621,15 3.891,16 25.455,17 15.546,18 177.866,19 2.854,20 12.821,21 27.245,22 41,23 -2.347,24 -2.347,25 3.763,26 15.462,27 4.265,28 9.135,29 2.94,30 0.473,31 0.804,32 10.704,33 0.678,34 14.947,35 14.947,36 14.947,37 14.947,38 14.947,39 1.129,40 68,41 4.861,42 136.215,43 1.106,44 0.5,45 38.887,46 22.023,47 1.107,48 2.143,49 3.829,50 -1,51 -1,52 1.062,53 3.686,54 3.307,55 164.356,56 3.619,57 4.421,58 -1.226,59 5.5,60 15.364,61 2.656,62 4.42,63 8.062,64 7.303,65 2.527,66 12.283,67 4.489,68 43.903,69 35.114,70 5.2}
{0 CHEMBL2002479,1 2.924,2 100.712,3 121.934,4 15.314,5 25.806,6 219.317,7 526.894,8 36.648,9 1.396,10 285.58,11 21.25,12 15.89,13 1.075,14 285.58,15 4.205,16 35.799,17 22.433,18 283.58,19 3.085,20 18.545,21 37.097,22 57,23 1.185,24 1.185,25 4.101,26 22.428,27 4.785,28 13.054,29 3.158,30 1.754,31 1.034,32 15.602,33 1.521,34 21.988,35 21.988,36 21.988,37 21.988,38 21.988,39 1.732,40 159,41 6.972,42 209.766,43 1.4,44 1.947,45 53.665,46 30.215,47 1.167,48 2.805,49 4.213,50 0.474,51 0.474,52 1.164,53 4.106,54 3.67,55 259.05,56 4.111,57 6.251,58 0.689,59 9.794,60 22.079,61 2.937,62 4.749,63 11.8,64 9.992,65 3.079,66 18.681,67 4.978,68 59.302,69 53.974,70 5.9}
{0 CHEMBL2002586,1 2.866,2 90.479,3 112.093,4 13.381,5 29.362,6 192.998,7 462.674,8 24.881,9 1.402,10 231.066,11 19,12 14.002,13 1.153,14 231.066,15 4.102,16 31.051,17 19.616,18 229.066,19 3.025,20 16.736,21 33.08,22 51,23 -0.639,24 -0.639,25 3.988,26 19.56,27 4.714,28 11.079,29 3.096,30 1.021,31 1.064,32 13.259,33 1.256,34 18.756,35 18.756,36 18.756,37 18.756,38 18.756,39 1.666,40 102,41 5.778,42 181.35,43 1.374,44 1.367,45 47.305,46 26.055,47 1.226,48 2.77,49 4.046,50 -0.248,51 -0.248,52 1.213,53 4.023,54 3.537,55 221.066,56 3.925,57 5.327,58 -0.298,59 9.677,60 18.217,61 2.849,62 4.697,63 9.989,64 9.076,65 2.771,66 16.811,67 4.927,68 52.887,69 46.417,70 5.2}
{0 CHEMBL2002599,1 2.763,2 86.932,3 103.475,4 13.067,5 25.715,6 188.062,7 450.631,8 26.663,9 1.377,10 244.078,11 20,12 13.759,13 1.094,14 244.078,15 4.131,16 31.246,17 19.919,18 242.078,19 3,20 16.666,21 32.273,22 52,25 4.011,26 19.966,27 4.688,28 11.578,29 3.093,30 1.176,31 1.029,32 13.759,33 1.491,34 19.463,35 19.463,36 19.463,37 19.463,38 19.463,39 1.453,40 116,41 6.028,42 178.104,43 1.366,44 1.364,45 48.451,46 26.833,47 1.147,48 2.485,49 4.09,52 1.138,53 3.986,54 3.53,55 224.078,56 4.001,57 5.568,59 8.538,60 18.924,61 2.805,62 4.73,63 10.341,64 9.523,65 2.852,66 16.92,67 4.919,68 54.315,69 47.801,70 5.2}
{0 CHEMBL2002649,1 2.208,2 55.706,3 66.997,4 8.367,5 11.833,6 121.174,7 287.425,8 11.432,9 0.966,10 136.127,11 12.25,12 8.775,13 0.745,14 136.127,15 3.621,16 19.601,17 12.352,18 136.127,19 2.559,20 10.255,21 19.972,22 31,23 -4.158,24 -4.158,25 3.515,26 12.729,27 4.074,28 7.282,29 2.567,30 -0.118,31 0.687,32 8.775,33 0.59,34 12.386,35 12.386,36 12.386,37 12.386,38 12.386,39 0.762,40 47,41 4,42 113.862,43 0.938,44 -0.013,45 29.494,46 17.768,47 0.624,48 1.759,49 3.637,50 -1.61,51 -1.61,52 0.61,53 3.381,54 3.066,55 131.372,56 3.417,57 3.407,58 -2.126,59 4.569,60 12.535,61 2.393,62 4.123,63 6.599,64 4.53,65 2.118,66 9.949,67 4.278,68 32.575,69 29.803,70 5.9}
{0 CHEMBL2002660,1 3.182,2 110.792,3 144.268,4 17.5,5 30.088,6 270.206,7 651.063,8 43.308,9 1.583,10 378.256,11 23.5,12 17.668,13 1.268,14 382.256,15 4.454,16 43.627,17 26.067,18 363.501,19 3.35,20 20.357,21 46.052,22 73,23 2.05,24 2.05,25 4.326,26 24.956,27 5.181,28 14.446,29 3.404,30 2.307,31 1.203,32 17.668,33 1.791,34 24.479,35 24.479,36 24.479,37 24.479,38 24.479,39 1.892,40 213,41 8.083,42 247.545,43 1.572,44 2.343,45 69.861,46 33.601,47 1.377,48 2.919,49 4.331,50 0.832,51 0.832,52 1.41,53 4.409,54 3.819,55 322.481,56 4.331,57 6.817,58 1.214,59 12.328,60 26.579,61 3.129,62 5.041,63 13.702,64 14.355,65 3.118,66 20.97,67 5.407,68 78.933,69 59.929,70 5.2}
{0 CHEMBL2002690,1 2.705,2 82.683,3 101.903,4 12.7,5 13.88,6 180.349,7 431.811,8 21.231,9 1.107,10 208.905,11 16.5,12 13.112,13 0.917,14 211.66,15 3.933,16 28.842,17 18.049,18 192.64,19 2.953,20 15.033,21 30.142,22 44,23 -1.116,24 -1.116,25 3.84,26 18.23,27 4.436,28 10.734,29 2.993,30 0.912,31 0.883,32 12.704,33 1,34 17.861,35 17.861,36 17.861,37 17.861,38 17.861,39 1.518,40 84,41 5.694,42 127.621,43 1.085,44 1.17,45 41.338,46 25.187,47 1.074,48 2.52,49 4.004,50 -0.446,51 -0.446,52 1.062,53 3.843,54 3.469,55 154.375,56 3.857,57 5.138,58 -0.565,59 7.158,60 17.933,61 2.805,62 4.385,63 9.574,64 7.663,65 2.88,66 14.794,67 4.618,68 45.325,69 43.11,70 5.2}
{0 CHEMBL2002702,1 2.366,2 53.281,3 72.469,4 8.633,5 12.37,6 129.568,7 307.907,8 10.136,9 1.021,10 150.49,11 11.25,12 8.648,13 0.773,14 150.49,15 3.688,16 20.918,17 12.722,18 148.49,19 2.632,20 10.02,21 22.034,22 34,23 -4.659,24 -4.659,25 3.568,26 12.109,27 4.128,28 6.967,29 2.721,30 -0.281,31 0.711,32 8.648,33 -0.134,34 12.016,35 12.016,36 12.016,37 12.016,38 12.016,39 1.285,40 43,41 3.861,42 113.371,43 0.979,44 0.151,45 31.833,46 17.691,47 1,48 2.294,49 3.634,50 -1.635,51 -1.635,52 0.959,53 3.546,54 3.149,55 130.881,56 3.547,57 3.321,58 -2.136,59 5.255,60 12.698,61 2.443,62 4.221,63 6.636,64 6.24,65 2.317,66 10.534,67 4.345,68 35.697,69 30.513,70 5.9}
{0 CHEMBL2002726,1 2.687,2 81.725,3 107.094,4 12.933,5 11.017,6 194.128,7 465.432,8 26.617,9 1.243,10 256.366,11 16.75,12 13.187,13 0.965,14 256.366,15 4.113,16 31.542,17 19.228,18 253.611,19 2.983,20 15.279,21 33.33,22 52,23 -0.856,24 -0.856,25 3.988,26 18.793,27 4.677,28 11.088,29 3.062,30 1.01,31 0.894,32 13.187,33 1.111,34 18.516,35 18.516,36 18.516,37 18.516,38 18.516,39 1.458,40 112,41 5.917,42 175.783,43 1.222,44 1.053,45 48.687,46 26.422,47 1.143,48 2.481,49 4.04,50 -0.353,51 -0.353,52 1.134,53 3.999,54 3.538,55 227.082,56 3.964,57 5.322,58 -0.461,59 8.953,60 18.64,61 2.798,62 4.649,63 9.933,64 10.137,65 2.815,66 15.774,67 4.916,68 54.939,69 44.634,70 5.9}
{0 CHEMBL2002736,1 2.148,2 52.331,3 67.76,4 7.867,5 12.551,6 127.758,7 303.488,8 10.429,9 0.971,10 157.464,11 10.75,12 8.22,13 0.695,14 157.464,15 3.76,16 20.181,17 11.912,18 157.464,19 2.716,20 9.474,21 21.256,22 35,23 -4.756,24 -4.756,25 3.627,26 11.936,27 4.269,28 7.034,29 2.812,30 -0.377,31 0.631,32 8.22,33 -0.438,34 11.491,35 11.491,36 11.491,37 11.491,38 11.491,39 0.776,40 56,41 3.917,42 116.655,43 0.97,44 -0.293,45 34.145,46 17.068,47 0.85,48 1.773,49 3.56,50 -1.717,51 -1.717,52 0.795,53 3.409,54 3.044,55 142.709,56 3.381,57 3.283,58 -2.087,59 5.265,60 12.251,61 2.375,62 4.331,63 6.244,64 4.956,65 1.316,66 9.232,67 4.503,68 38.82,69 26.11,70 5.2}
{0 CHEMBL2002799,1 2.671,2 72.827,3 94.831,4 11.533,5 15.154,6 171.076,7 409.186,8 18.049,9 1.147,10 211.329,11 15.5,12 11.81,13 0.944,14 213.329,15 3.98,16 27.993,17 17.28,18 199.329,19 2.9,20 13.68,21 29.563,22 46,23 -1.599,24 -1.599,25 3.861,26 16.894,27 4.549,28 10.046,29 2.979,30 0.882,31 0.885,32 11.81,33 0.901,34 16.706,35 16.706,36 16.706,37 16.706,38 16.706,39 1.405,40 74,41 5.278,42 136.891,43 1.13,44 1.031,45 42.702,46 23.351,47 1.034,48 2.408,49 3.931,50 -0.618,51 -0.618,52 0.996,53 3.849,54 3.433,55 168.11,56 3.852,57 4.778,58 -0.927,59 7.559,60 16.355,61 2.746,62 4.555,63 8.889,64 7.733,65 2.724,66 14.456,67 4.759,68 48.026,69 40.122,70 5.2}
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{0 CHEMBL2004716,1 3.155,2 121.552,3 162.121,4 18.9,5 29.302,6 290.8,7 701.312,8 66.447,9 1.6,10 403.593,11 24.5,12 19.326,13 1.351,14 405.593,15 4.495,16 46.12,17 27.569,18 398.838,19 3.332,20 21.392,21 49.25,22 76,23 2.244,24 2.244,25 4.363,26 26.959,27 5.247,28 15.62,29 3.407,30 2.248,31 1.256,32 18.872,33 1.816,34 26.394,35 26.394,36 26.394,37 26.394,38 26.394,39 2.135,40 242,41 8.806,42 280.986,43 1.584,44 2.5,45 72.712,46 36.223,47 1.541,48 3.163,49 4.385,50 0.909,51 0.909,52 1.525,53 4.487,54 3.882,55 362.838,56 4.35,57 7.27,58 1.183,59 16.688,60 27.777,61 3.157,62 5.055,63 14.41,64 16.105,65 3.43,66 22.062,67 5.5,68 82.141,69 61.164,70 5.9}
{0 CHEMBL2004771,1 2.695,2 79.32,3 97.851,4 12.367,5 17.232,6 171.417,7 410.017,8 22.769,9 1.107,10 209.66,11 17.25,12 12.776,13 0.91,14 209.66,15 3.955,16 28.655,17 18.321,18 198.905,19 2.894,20 15.082,21 29.495,22 45,23 -1.089,24 -1.089,25 3.858,26 18.249,27 4.475,28 10.589,29 2.949,30 0.983,31 0.868,32 12.776,33 1.327,34 18.102,35 18.102,36 18.102,37 18.102,38 18.102,39 1.525,40 82,41 5.556,42 134.797,43 1.097,44 1.361,45 41.262,46 25.344,47 1.102,48 2.533,49 4.022,50 -0.417,51 -0.417,52 1.083,53 3.867,54 3.482,55 164.851,56 3.904,57 5.045,58 -0.539,59 7.074,60 17.51,61 2.754,62 4.467,63 9.575,64 7.382,65 2.922,66 15.516,67 4.682,68 45.405,69 45.564,70 5.9}
{0 CHEMBL2004871,1 2.634,2 67.854,3 82.905,4 10.319,5 7.449,6 153.818,7 367.076,8 17.76,9 1.107,10 177.421,11 14.25,12 10.398,13 0.886,14 177.421,15 3.858,16 24.85,17 15.31,18 177.421,19 2.854,20 12.395,21 25.739,22 40,23 -2.347,24 -2.347,25 3.744,26 15.598,27 4.463,28 9.401,29 2.925,30 0.5,31 0.821,32 10.792,33 0.817,34 15.267,35 15.267,36 15.267,37 15.267,38 15.267,39 1.109,40 77,41 5.028,42 133.872,43 1.062,44 0.5,45 38.331,46 21.345,47 1.077,48 2.129,49 3.83,50 -1,51 -1,52 1.062,53 3.755,54 3.289,55 167.911,56 3.694,57 4.433,58 -1.424,59 6.704,60 15.364,61 2.715,62 4.4,63 8.099,64 6.584,65 2.5,66 12.324,67 4.667,68 42.95,69 35.145,70 5.9}
{0 CHEMBL2004872,1 2.649,2 76.069,3 96.49,4 11.867,5 13.021,6 179.538,7 429.834,8 23.984,9 1.107,10 222.705,11 15.75,12 12.169,13 0.886,14 222.705,15 3.983,16 28.708,17 17.406,18 218.705,19 2.854,20 13.689,21 30.017,22 46,23 -1.461,24 -1.461,25 3.871,26 17.432,27 4.662,28 10.211,29 2.925,30 0.632,31 0.821,32 12.169,33 1,34 17.077,35 17.077,36 17.077,37 17.077,38 17.077,39 1.266,40 92,41 5.667,42 149.98,43 1.062,44 0.839,45 44.029,46 24.719,47 1.052,48 2.279,49 3.949,50 -0.704,51 -0.704,52 1.013,53 3.891,54 3.422,55 194.176,56 3.852,57 4.76,58 -0.881,59 8.898,60 17.648,61 2.715,62 4.515,63 9.188,64 8.379,65 2.557,66 13.707,67 4.897,68 49.235,69 39.711,70 5.9}
{0 CHEMBL2004892,1 2.469,2 71.375,3 85.059,4 10.1,5 8.035,6 148.692,7 354.568,8 16.726,9 1.107,10 162.77,11 13,12 10.848,13 0.789,14 162.77,15 3.795,16 23.336,17 14.447,18 160.015,19 2.801,20 11.716,21 24.387,22 37,23 -3,24 -3,25 3.688,26 13.823,27 4.318,28 7.764,29 2.916,30 0.5,31 0.701,32 9.922,33 0.684,34 13.618,35 13.618,36 13.618,37 13.618,38 13.618,39 1.154,40 58,41 4.375,42 123.467,43 1.062,44 0.544,45 35.556,46 20.863,47 1.007,48 2.161,49 3.778,50 -1,51 -1,52 0.97,53 3.694,54 3.251,55 142.364,56 3.66,57 3.711,58 -1.5,59 7.025,60 15.035,61 2.568,62 4.301,63 7.847,64 6.891,65 2.5,66 12.05,67 4.536,68 39.408,69 35.087,70 5.9}
{0 CHEMBL2004934,1 2.687,2 78.945,3 98.225,4 12.252,5 14.648,6 183.535,7 439.585,8 24.533,9 1.107,10 229.624,11 16,12 12.169,13 0.886,14 229.624,15 4.001,16 29.597,17 17.956,18 227.624,19 2.895,20 14.17,21 30.711,22 47,23 -1.456,24 -1.456,25 3.894,26 17.917,27 4.734,28 10.424,29 2.955,30 0.755,31 0.821,32 12.58,33 1.099,34 17.577,35 17.577,36 17.577,37 17.577,38 17.577,39 1.38,40 98,41 5.861,42 154.144,43 1.068,44 0.842,45 45.323,46 25.397,47 1.078,48 2.421,49 3.984,50 -0.657,51 -0.657,52 1.062,53 3.935,54 3.458,55 201.094,56 3.911,57 4.855,58 -0.876,59 9.719,60 18.518,61 2.734,62 4.534,63 9.628,64 9.257,65 2.725,66 14.273,67 4.959,68 50.492,69 41.264,70 5.9}
{0 CHEMBL2005186,1 2.945,2 103.354,3 128.495,4 16.067,5 20.292,6 233.906,7 562.492,8 40.298,9 1.499,10 320.253,11 22.25,12 16.547,13 1.304,14 320.253,15 4.294,16 38.299,17 23.87,18 315.498,19 3.297,20 19.484,21 39.796,22 62,23 1.3,24 1.3,25 4.174,26 23.579,27 4.837,28 13.801,29 3.355,30 1.952,31 1.229,32 16.547,33 1.534,34 23.187,35 23.187,36 23.187,37 23.187,38 23.187,39 1.846,40 176,41 7.361,42 219.405,43 1.509,44 2.385,45 58.218,46 31.553,47 1.308,48 2.885,49 4.271,50 0.563,51 0.563,52 1.28,53 4.144,54 3.724,55 277.444,56 4.149,57 6.635,58 0.698,59 9.229,60 23.493,61 3.142,62 4.829,63 12.52,64 10.243,65 3.04,66 19.495,67 5.033,68 65.145,69 56.775,70 5.9}
{0 CHEMBL2005375,1 3.033,2 113.039,3 143.775,4 17.4,5 35.279,6 271.724,7 654.767,8 42.97,9 1.594,10 400.897,11 25,12 17.995,13 1.324,14 408.897,15 4.538,16 44.702,17 27.034,18 381.677,19 3.332,20 20.906,21 47.58,22 79,23 1.372,24 1.372,25 4.402,26 25.926,27 5.389,28 14.81,29 3.405,30 1.992,31 1.265,32 17.995,33 1.809,34 25.378,35 25.378,36 25.378,37 25.378,38 25.378,39 2.02,40 199,41 8.25,42 251.187,43 1.602,44 2,45 74.73,46 33.68,47 1.557,48 3.098,49 4.346,50 0.659,51 0.659,52 1.557,53 4.509,54 3.858,55 340.094,56 4.409,57 6.844,58 0.786,59 15.056,60 25.941,61 3.089,62 5.212,63 13.836,64 14.809,65 3.084,66 23.002,67 5.619,68 85.261,69 61.167,70 5.9}
{0 CHEMBL2005449,1 2.687,2 69.883,3 89.673,4 10.614,5 23.226,6 158.155,7 377.658,8 19,9 1.107,10 177.995,11 14.75,12 10.975,13 0.761,14 177.995,15 3.869,16 24.59,17 15.244,18 175.24,19 2.854,20 12.746,21 25.699,22 39,23 -2.276,24 -2.276,25 3.733,26 15.376,27 4.236,28 9.067,29 2.925,30 0.5,31 0.674,32 10.687,33 0.765,34 14.894,35 14.894,36 14.894,37 14.894,38 14.894,39 1.432,40 72,41 4.833,42 135.082,43 1.062,44 0.57,45 37.353,46 22.044,47 0.984,48 2.471,49 3.829,50 -0.911,51 -0.911,52 0.962,53 3.515,54 3.258,55 159.589,56 3.555,57 4.424,58 -1.174,59 4.736,60 15.364,61 2.624,62 4.374,63 8.033,64 5.479,65 2.5,66 11.926,67 4.482,68 42.01,69 35.026,70 5.4}
{0 CHEMBL2005475,1 2.688,2 76.88,3 99.096,4 11.867,5 5.939,6 178.47,7 427.226,8 22.382,9 1.405,10 215.133,11 14.75,12 12.218,13 1.153,14 215.133,15 4.024,16 28.707,17 17.614,18 206.869,19 2.946,20 13.813,21 30.972,22 48,23 -1.647,24 -1.647,25 3.903,26 16.971,27 4.567,28 10.087,29 3.019,30 0.549,31 1.064,32 11.81,33 1.001,34 16.706,35 16.706,36 16.706,37 16.706,38 16.706,39 1.327,40 88,41 5.278,42 154.398,43 1.376,44 0.728,45 44.662,46 23.708,47 1.139,48 2.347,49 3.93,50 -0.71,51 -0.71,52 1.083,53 3.893,54 3.469,55 182.895,56 3.88,57 4.844,58 -0.988,59 8.862,60 16.355,61 2.766,62 4.63,63 8.921,64 10.121,65 2.513,66 15.124,67 4.822,68 50.361,69 40.427,70 5.9}
{0 CHEMBL2005478,1 2.663,2 75.33,3 88.336,4 11.267,5 9.12,6 154.342,7 368.355,8 15.479,9 1.152,10 170.015,11 15.25,12 11.23,13 0.966,14 170.015,15 3.81,16 24.46,17 15.485,18 170.015,19 2.773,20 13.299,21 25.637,22 38,23 -2.528,24 -2.528,25 3.705,26 15.618,27 4.393,28 8.533,29 2.863,30 0.614,31 0.899,32 10.652,33 0.789,34 14.989,35 14.989,36 14.989,37 14.989,38 14.989,39 1.413,40 66,41 4.722,42 138.505,43 1.125,44 0.738,45 35.382,46 21.196,47 0.952,48 2.454,49 3.845,50 -0.84,51 -0.84,52 0.912,53 3.802,54 3.292,55 162.015,56 3.745,57 4.011,58 -1.186,59 7.264,60 15.267,61 2.555,62 4.358,63 8.058,64 6.494,65 2.785,66 12.818,67 4.614,68 39.12,69 38.525,70 5.2}
{0 CHEMBL2005482,1 3.405,2 142.108,3 174.046,4 21.514,5 30.291,6 303.742,7 732.89,8 63.99,9 1.603,10 414.235,11 30,12 22.345,13 1.403,14 414.235,15 4.509,16 49.389,17 31.247,18 406.235,19 3.463,20 26.427,21 51.83,22 78,23 2.811,24 2.811,25 4.402,26 31.49,27 5.204,28 18.252,29 3.497,30 2.656,31 1.372,32 21.602,33 2.048,34 30.532,35 30.532,36 30.532,37 30.532,38 30.532,39 2.215,40 272,41 9.528,42 279.4,43 1.62,44 2.785,45 72.487,46 38.959,47 1.455,48 3.303,49 4.534,50 1.258,51 1.258,52 1.42,53 4.515,54 3.989,55 360.129,56 4.45,57 8.779,58 1.715,59 14.51,60 29.882,61 3.294,62 5.065,63 16.251,64 14.459,65 3.48,66 26.067,67 5.404,68 80.338,69 74.837,70 5.2}
{0 CHEMBL2005528,1 2.211,2 58.142,3 70.084,4 8.8,5 12.088,6 130.896,7 311.146,8 12.964,9 1.008,10 155.71,11 12.5,12 9.203,13 0.705,14 155.71,15 3.728,16 21.348,17 13.255,18 155.71,19 2.758,20 10.636,21 21.943,22 35,23 -3.462,24 -3.462,25 3.623,26 13.221,27 4.203,28 7.593,29 2.809,30 -0.057,31 0.631,32 9.203,33 0.369,34 12.939,35 12.939,36 12.939,37 12.939,38 12.939,39 1.194,40 60,41 4.222,42 124.426,43 0.995,44 0.195,45 33.487,46 18.597,47 0.893,48 2.199,49 3.689,50 -1.366,51 -1.366,52 0.85,53 3.555,54 3.155,55 150.955,56 3.611,57 3.502,58 -1.844,59 5.357,60 13.405,61 2.498,62 4.314,63 7.045,64 5.69,65 2.095,66 10.989,67 4.391,68 37.116,69 31.781,70 5.9}
{0 CHEMBL2005699,1 2.918,2 104.352,3 129.809,4 16.367,5 24.259,6 242.498,7 583.455,8 40.682,9 1.38,10 307.129,11 21.75,12 16.63,13 1.221,14 311.129,15 4.293,16 39.433,17 24.057,18 297.619,19 3.359,20 19.111,21 40.665,22 63,23 1.286,24 1.286,25 4.191,26 23.131,27 4.983,28 13.285,29 3.389,30 2.138,31 1.197,32 16.63,33 1.618,34 22.902,35 22.902,36 22.902,37 22.902,38 22.902,39 1.957,40 188,41 7.5,42 218.811,43 1.417,44 2.399,45 60.662,46 32.148,47 1.308,48 2.989,49 4.277,50 0.562,51 0.562,52 1.323,53 4.277,54 3.74,55 262.6,56 4.231,57 6.318,58 0.806,59 10.806,60 25.165,61 3.208,62 4.834,63 12.992,64 12.486,65 3.258,66 19.576,67 5.178,68 67.109,69 57.931,70 5.2}
{0 CHEMBL2005792,1 2.768,2 94.89,3 115.489,4 14.352,5 14.925,6 212.911,7 511.262,8 31.27,9 1.338,10 276.499,11 21.25,12 14.52,13 1.067,14 276.499,15 4.224,16 34.682,17 21.448,18 276.499,19 3.117,20 17.648,21 35.733,22 57,23 0.477,24 0.477,25 4.105,26 21.532,27 4.837,28 11.986,29 3.206,30 1.37,31 0.976,32 14.914,33 1.199,34 20.894,35 20.894,36 20.894,37 20.894,38 20.894,39 1.681,40 140,41 6.833,42 213.049,43 1.343,44 1.584,45 54.731,46 28.592,47 1.315,48 2.759,49 4.166,50 0.332,51 0.332,52 1.299,53 4.12,54 3.599,55 266.89,56 4.093,57 5.513,58 0.348,59 8.574,60 22.01,61 2.878,62 4.796,63 11.428,64 9.797,65 3.016,66 17.365,67 5.053,68 61.485,69 51.045,70 5.2}
{0 CHEMBL2005828,1 2.687,2 82.083,3 103.173,4 12.667,5 17.311,6 182.806,7 437.807,8 26.623,9 1.218,10 213.46,11 18,12 13.097,13 0.886,14 215.46,15 4.029,16 29.697,17 18.582,18 207.46,19 2.997,20 15.206,21 30.506,22 47,23 -0.754,24 -0.754,25 3.913,26 18.56,27 4.594,28 10.757,29 3.102,30 1.042,31 0.821,32 13.097,33 1,34 18.309,35 18.309,36 18.309,37 18.309,38 18.309,39 1.784,40 118,41 5.861,42 162.241,43 1.224,44 1.297,45 44.465,46 26.416,47 1.107,48 2.795,49 4.038,50 -0.327,51 -0.327,52 1.062,53 3.878,54 3.472,55 191.46,56 3.896,57 5.13,58 -0.424,59 7.317,60 18.803,61 2.733,62 4.51,63 9.897,64 8.002,65 2.978,66 15.02,67 4.815,68 49.402,69 44.79,70 5.9}
{0 CHEMBL2005886,1 3.01,2 106.577,3 133.134,4 16.214,5 32.179,6 238.631,7 574.02,8 38.308,9 1.429,10 327.659,11 23,12 16.78,13 1.153,14 327.659,15 4.329,16 38.874,17 24.054,18 327.659,19 3.155,20 19.837,21 40.625,22 64,23 1.915,24 1.915,25 4.213,26 23.721,27 5.094,28 13.555,29 3.221,30 2,31 1.064,32 16.491,33 1.689,34 23.085,35 23.085,36 23.085,37 23.085,38 23.085,39 1.867,40 155,41 7.361,42 248.091,43 1.376,44 2.046,45 60.534,46 31.454,47 1.371,48 2.949,49 4.267,50 0.689,51 0.689,52 1.346,53 4.307,54 3.735,55 306.639,56 4.244,57 6.459,58 0.916,59 12.355,60 23.656,61 2.99,62 4.916,63 12.618,64 12.815,65 3.199,66 20.11,67 5.323,68 67.631,69 57.373,70 7}
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{0 CHEMBL2006149,1 3.206,2 114.164,3 142.821,4 17.767,5 26.884,6 268.477,7 646.844,8 51.49,9 1.557,10 362.663,11 23.75,12 18.168,13 1.299,14 366.663,15 4.421,16 43.508,17 26.323,18 353.153,19 3.378,20 20.659,21 45.193,22 71,23 2.275,24 2.275,25 4.308,26 25.487,27 5.107,28 14.879,29 3.413,30 2.393,31 1.259,32 18.168,33 1.844,34 25.187,35 25.187,36 25.187,37 25.187,38 25.187,39 1.97,40 263,41 8.333,42 255.795,43 1.561,44 2.465,45 68.531,46 34.706,47 1.379,48 3.008,49 4.357,50 0.936,51 0.936,52 1.413,53 4.359,54 3.826,55 318.134,56 4.31,57 7.027,58 1.33,59 12.004,60 27.286,61 3.218,62 4.98,63 14.124,64 13.634,65 3.262,66 21.266,67 5.306,68 76.438,69 61.481,70 5.2}
{0 CHEMBL2006188,1 2.974,2 91.115,3 121.018,4 14.267,5 22.508,6 224.702,7 540.033,8 32.667,9 1.45,10 314.253,11 18.5,12 14.618,13 1.112,14 314.253,15 4.261,16 35.837,17 21.185,18 312.253,19 3.165,20 16.173,21 38.069,22 60,23 -0.185,24 -0.185,25 4.128,26 20.939,27 5.013,28 12.581,29 3.278,30 1.16,31 1.045,32 14.618,33 1.151,34 20.568,35 20.568,36 20.568,37 20.568,38 20.568,39 1.531,40 130,41 6.944,42 206.319,43 1.442,44 1.583,45 57.665,46 28.44,47 1.315,48 2.551,49 4.124,50 -0.093,51 -0.093,52 1.331,53 4.192,54 3.626,55 277.724,56 4.086,57 5.864,58 -0.105,59 12.163,60 21.347,61 2.945,62 4.818,63 11.069,64 11.659,65 2.73,66 16.747,67 5.253,68 65.394,69 46.325,70 5.9}
{0 CHEMBL2006237,1 2.866,2 88.438,3 115.076,4 13.633,5 21.255,6 210.773,7 506.047,8 32.961,9 1.429,10 292.457,11 20,12 14.097,13 1.153,14 292.457,15 4.271,16 34.133,17 20.799,18 282.457,19 3.203,20 16.554,21 36.108,22 59,23 -0.244,24 -0.244,25 4.123,26 20.163,27 4.928,28 11.766,29 3.297,30 0.989,31 1.064,32 14.097,33 1.274,34 19.723,35 19.723,36 19.723,37 19.723,38 19.723,39 1.52,40 147,41 6.361,42 197.196,43 1.437,44 1.574,45 55.876,46 28.186,47 1.419,48 2.54,49 4.107,50 -0.111,51 -0.111,52 1.376,53 4.11,54 3.582,55 247.928,56 4.051,57 5.619,58 -0.115,59 9.669,60 20.217,61 2.95,62 4.887,63 10.723,64 10.523,65 2.888,66 17.099,67 5.221,68 63.85,69 47.654,70 5.9}
{0 CHEMBL2006263,1 2.687,2 75.786,3 89.947,4 11.1,5 12.483,6 164.949,7 394.236,8 17.467,9 1.129,10 174.621,11 14.5,12 11.669,13 0.9,14 176.621,15 3.881,16 25.863,17 15.874,18 169.866,19 2.894,20 12.859,21 27.148,22 41,23 -2.89,24 -2.89,25 3.777,26 15.163,27 4.465,28 8.429,29 2.974,30 0.5,31 0.832,32 10.848,33 0.54,34 14.85,35 14.85,36 14.85,37 14.85,38 14.85,39 1.536,40 79,41 4.847,42 134.563,43 1.105,44 0.879,45 39.44,46 22.478,47 1.107,48 2.546,49 3.862,50 -1,51 -1,52 1.062,53 3.798,54 3.345,55 152.215,56 3.794,57 4.019,58 -1.381,59 7.588,60 16.613,61 2.718,62 4.414,63 8.704,64 8.192,65 2.5,66 13.102,67 4.682,68 43.823,69 37.876,70 5.9}
{0 CHEMBL2006299,1 2.687,2 73.197,3 93.59,4 11.467,5 12.058,6 172.744,7 413.256,8 23.389,9 1.107,10 203.722,11 14.75,12 11.758,13 0.886,14 203.722,15 3.929,16 27.687,17 16.779,18 199.722,19 2.854,20 13.09,21 29.012,22 44,23 -1.96,24 -1.96,25 3.823,26 16.86,27 4.523,28 10.018,29 2.925,30 0.598,31 0.821,32 11.758,33 1,34 16.577,35 16.577,36 16.577,37 16.577,38 16.577,39 1.21,40 88,41 5.472,42 131.874,43 1.062,44 0.797,45 41.927,46 24.034,47 1.107,48 2.217,49 3.913,50 -0.803,51 -0.803,52 1.062,53 3.805,54 3.396,55 170.503,56 3.8,57 4.686,58 -1.023,59 8.032,60 16.778,61 2.715,62 4.445,63 8.819,64 8.008,65 2.548,66 13.217,67 4.761,68 46.737,69 37.839,70 5.2}
{0 CHEMBL2006439,1 2.743,2 73.065,3 93.388,4 11.214,5 11.088,6 166.079,7 396.993,8 17.361,9 1.159,10 197.66,11 15.75,12 11.582,13 0.998,14 197.66,15 3.961,16 26.622,17 16.622,18 192.15,19 2.874,20 13.707,21 28.216,22 44,23 -1.924,24 -1.924,25 3.831,26 16.397,27 4.47,28 9.606,29 2.943,30 0.654,31 0.951,32 11.293,33 1,34 15.947,35 15.947,36 15.947,37 15.947,38 15.947,39 1.352,40 75,41 5,42 146.877,43 1.146,44 0.733,45 41.018,46 22.408,47 1.013,48 2.4,49 3.892,50 -0.807,51 -0.807,52 0.99,53 3.801,54 3.377,55 174.931,56 3.807,57 4.634,58 -0.961,59 6.291,60 15.648,61 2.692,62 4.564,63 8.488,64 7.508,65 2.527,66 14.073,67 4.72,68 46.342,69 38.73,70 5.4}
{0 CHEMBL2006450,1 2.622,2 72.492,3 91.01,4 11.148,5 9.653,6 167.747,7 401.063,8 19.085,9 1.139,10 202.122,11 15,12 11.458,13 0.933,14 202.122,15 3.91,16 26.316,17 16.112,18 202.122,19 2.888,20 12.978,21 27.665,22 42,23 -1.806,24 -1.806,25 3.788,26 16.024,27 4.456,28 9.543,29 2.945,30 0.649,31 0.869,32 11.169,33 0.741,34 15.662,35 15.662,36 15.662,37 15.662,38 15.662,39 1.356,40 96,41 5.167,42 152.838,43 1.124,44 0.723,45 40.243,46 22.513,47 0.967,48 2.398,49 3.87,50 -0.842,51 -0.842,52 0.929,53 3.771,54 3.34,55 190.122,56 3.737,57 4.535,58 -1.124,59 6.836,60 16.234,61 2.711,62 4.465,63 8.468,64 6.936,65 2.525,66 12.971,67 4.667,68 45.053,69 36.74,70 5.2}
{0 CHEMBL2006564,1 2.692,2 79.468,3 99.02,4 12.133,5 28.021,6 181.996,7 435.831,8 24.568,9 1.429,10 231.556,11 18.5,12 12.635,13 1.153,14 231.556,15 4.111,16 29.552,17 18.402,18 227.556,19 2.98,20 15.031,21 30.824,22 50,23 -1.331,24 -1.331,25 3.969,26 18.233,27 4.751,28 10.326,29 3.068,30 0.799,31 1.064,32 12.635,33 1,34 17.765,35 17.765,36 17.765,37 17.765,38 17.765,39 1.745,40 86,41 5.694,42 179.841,43 1.376,44 1.026,45 47.225,46 25.237,47 1.235,48 2.772,49 3.991,50 -0.504,51 -0.504,52 1.251,53 3.903,54 3.448,55 223.556,56 3.817,57 4.813,58 -0.622,59 7.996,60 18.096,61 2.781,62 4.677,63 9.584,64 7.072,65 2.604,66 15.161,67 4.987,68 53.604,69 43.168,70 6.8}
{0 CHEMBL2006674,1 2.922,2 89.514,3 114.468,4 13.567,5 27.103,6 210.903,7 506.362,8 27.608,9 1.4,10 311.72,11 19.5,12 14.19,13 1.135,14 311.72,15 4.281,16 34.353,17 20.915,18 311.72,19 3.216,20 16.457,21 36.319,22 60,23 -0.238,24 -0.238,25 4.143,26 20.527,27 5.057,28 12.016,29 3.299,30 1.293,31 1.05,32 14.19,33 1.342,34 20.102,35 20.102,36 20.102,37 20.102,38 20.102,39 1.522,40 108,41 6.556,42 213.772,43 1.404,44 1.49,45 56.985,46 27.167,47 1.364,48 2.533,49 4.108,50 -0.131,51 -0.131,52 1.323,53 4.185,54 3.588,55 288.965,56 4.085,57 5.543,58 -0.137,59 10.379,60 20.217,61 3.01,62 4.91,63 10.745,64 10.358,65 2.703,66 17.412,67 5.315,68 64.976,69 47.225,70 5.2}
{0 CHEMBL2006765,1 2.687,2 85.535,3 100.901,4 12.59,5 23.927,6 186.19,7 446.063,8 31.061,9 1.261,10 237.556,11 19,12 12.207,13 0.978,14 237.556,15 4.106,16 30.208,17 18.839,18 237.556,19 3.004,20 15.891,21 30.392,22 49,23 -1.266,24 -1.266,25 3.972,26 19.079,27 4.605,28 10.981,29 3.092,30 0.926,31 0.887,32 13.353,33 1.089,34 18.472,35 18.472,36 18.472,37 18.472,38 18.472,39 1.568,40 144,41 6.125,42 186.662,43 1.262,44 1.282,45 48.545,46 27.07,47 1.107,48 2.594,49 4.053,50 -0.452,51 -0.452,52 1.106,53 3.772,54 3.45,55 223.946,56 3.811,57 5.208,58 -0.581,59 6.019,60 20.148,61 2.738,62 4.688,63 10.733,64 6.509,65 2.603,66 14.973,67 4.819,68 54.54,69 44.327,70 5.5}
{0 CHEMBL2006785,1 2.799,2 77.816,3 94.863,4 11.895,5 13.727,6 167.768,7 401.113,8 15.928,9 0.999,10 153.71,11 14,12 11.993,13 0.845,14 153.71,15 3.68,16 25.234,17 15.697,18 153.71,19 2.874,20 13.065,21 26.636,22 35,23 -2.669,24 -2.669,25 3.613,26 15.711,27 4.169,28 8.723,29 2.925,30 0.5,31 0.821,32 11.007,33 1,34 15.301,35 15.301,36 15.301,37 15.301,38 15.301,39 1.356,40 83,41 5.083,42 126.691,43 0.994,44 0.627,45 33.673,46 22.143,47 0.94,48 2.385,49 3.863,50 -1,51 -1,52 0.892,53 3.806,54 3.336,55 140.2,56 3.809,57 4.025,58 -1.493,59 5.903,60 16.56,61 2.715,62 4.161,63 8.456,64 7.022,65 2.773,66 12.863,67 4.322,68 36.09,69 37.513,70 5.9}
{0 CHEMBL2007002,1 2.687,2 82.5,3 102.25,4 12.7,5 12.596,6 182.806,7 437.807,8 25.306,9 1.127,10 227.46,11 17,12 13.152,13 0.944,14 227.46,15 4.01,16 29.896,17 18.62,18 222.705,19 2.926,20 15.141,21 30.71,22 47,23 -0.524,24 -0.524,25 3.91,26 18.83,27 4.597,28 10.857,29 2.981,30 1.152,31 0.893,32 13.152,33 1.159,34 18.524,35 18.524,36 18.524,37 18.524,38 18.524,39 1.472,40 104,41 5.972,42 153.353,43 1.132,44 1.179,45 44.473,46 25.87,47 1.107,48 2.491,49 4.038,50 -0.224,51 -0.224,52 1.062,53 3.906,54 3.489,55 186.651,56 3.923,57 5.075,58 -0.293,59 8,60 18.803,61 2.794,62 4.488,63 9.935,64 7.992,65 2.879,66 15.16,67 4.797,68 49.03,69 44.832,70 5.9}
{0 CHEMBL2007064,1 2.624,2 68.364,3 88.378,4 10.8,5 14.447,6 163.411,7 390.482,8 17.947,9 1.197,10 206.15,11 14.25,12 10.969,13 0.858,14 206.15,15 3.922,16 26.402,17 15.983,18 204.15,19 2.947,20 12.454,21 27.466,22 43,23 -2.127,24 -2.127,25 3.811,26 15.232,27 4.645,28 8.785,29 3.004,30 0.474,31 0.802,32 10.969,33 0.921,34 15.137,35 15.137,36 15.137,37 15.137,38 15.137,39 1.518,40 77,41 5,42 156.831,43 1.215,44 0.55,45 41.254,46 22.357,47 1.103,48 2.543,49 3.863,50 -1,51 -1,52 1.09,53 3.894,54 3.357,55 186.15,56 3.817,57 4.166,58 -1.185,59 8.852,60 16.56,61 2.686,62 4.47,63 8.504,64 8.455,65 2.839,66 13.179,67 4.887,68 45.946,69 37.833,70 6.1}
{0 CHEMBL2007073,1 3.166,2 107.622,3 139.485,4 17,5 29.084,6 260.614,7 627.658,8 42.231,9 1.473,10 363.144,11 22.5,12 17.257,13 1.206,14 367.144,15 4.415,16 42.1,17 25.268,18 348.389,19 3.338,20 19.684,21 44.29,22 70,23 2.05,24 2.05,25 4.287,26 24.247,27 5.079,28 14.304,29 3.384,30 2.305,31 1.165,32 17.257,33 1.618,34 23.979,35 23.979,36 23.979,37 23.979,38 23.979,39 1.85,40 215,41 7.889,42 244.276,43 1.503,44 2.343,45 66.978,46 32.931,47 1.365,48 2.864,49 4.307,50 0.827,51 0.827,52 1.387,53 4.333,54 3.794,55 307.369,56 4.282,57 6.784,58 1.21,59 11.076,60 25.709,61 3.133,62 4.975,63 13.334,64 12.978,65 3.118,66 20.536,67 5.299,68 75.517,69 58.326,70 5.2}
{0 CHEMBL2007124,1 2.687,2 81.982,3 93.261,4 12.124,5 21.987,6 170.743,7 408.372,8 27.893,9 1.107,10 198.122,11 17.25,12 11.597,13 0.886,14 200.122,15 3.936,16 27.826,17 17.679,18 193.367,19 2.854,20 15.006,21 27.313,22 42,23 -1.965,24 -1.965,25 3.829,26 17.967,27 4.443,28 10.27,29 2.927,30 0.675,31 0.821,32 12.809,33 1.097,34 17.574,35 17.574,36 17.574,37 17.574,38 17.574,39 1.421,40 117,41 5.778,42 138.148,43 1.078,44 1.157,45 41.902,46 26.536,47 1.073,48 2.462,49 4.017,50 -0.739,51 -0.739,52 1.062,53 3.66,54 3.392,55 169.367,56 3.79,57 4.918,58 -0.969,59 5.724,60 19.441,61 2.715,62 4.44,63 10.391,64 7.004,65 2.858,66 14.066,67 4.644,68 45.922,69 43.293,70 5.2}
{0 CHEMBL2007266,1 3.049,2 112.824,3 142.987,4 17.352,5 27.402,6 254.289,7 612.226,8 56.995,9 1.559,10 355.245,11 24,12 17.564,13 1.293,14 355.245,15 4.396,16 41.736,17 25.817,18 350.49,19 3.342,20 21.048,21 43.256,22 68,23 2.097,24 2.097,25 4.271,26 25.638,27 5.05,28 14.898,29 3.405,30 2.257,31 1.235,32 17.974,33 1.801,34 25.154,35 25.154,36 25.154,37 25.154,38 25.154,39 2.08,40 207,41 8.083,42 249.702,43 1.589,44 2.458,45 64.498,46 34.592,47 1.535,48 3.109,49 4.347,50 0.862,51 0.862,52 1.534,53 4.283,54 3.801,55 316.436,56 4.24,57 7.104,58 1.179,59 11.919,60 25.777,61 3.169,62 4.924,63 13.676,64 12.435,65 3.361,66 21.102,67 5.268,68 72.316,69 60.927,70 5.2}
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{0 CHEMBL2007375,1 2.643,2 81.687,3 93.775,4 12.29,5 18.659,6 173.411,7 414.884,8 23.202,9 1.151,10 203.367,11 17.5,12 11.652,13 0.943,14 203.367,15 3.924,16 28.111,17 17.804,18 201.367,19 2.974,20 15.159,21 27.858,22 42,23 -1.538,24 -1.538,25 3.818,26 18.254,27 4.472,28 10.533,29 3.038,30 0.805,31 0.888,32 12.864,33 1.189,34 17.789,35 17.789,36 17.789,37 17.789,38 17.789,39 1.402,40 107,41 5.889,42 153.716,43 1.144,44 1.004,45 41.574,46 25.975,47 0.976,48 2.432,49 4.019,50 -0.658,51 -0.658,52 0.968,53 3.726,54 3.402,55 179.716,56 3.794,57 4.947,58 -0.95,59 6.228,60 19.441,61 2.824,62 4.447,63 10.437,64 6.445,65 2.883,66 14.015,67 4.654,68 45.713,69 43.124,70 5.2}
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{0 CHEMBL2057916,1 3.005,2 99.7,3 135.671,4 16.1,5 29.254,6 254.548,7 612.857,8 40.408,9 1.47,10 341.381,11 21,12 16.006,13 1.209,14 341.381,15 4.381,16 40.605,17 23.802,18 338.626,19 3.256,20 17.953,21 43.046,22 68,23 0.37,24 0.37,25 4.249,26 22.157,27 5.167,28 12.615,29 3.305,30 1.452,31 1.134,32 16.006,33 1.542,34 21.911,35 21.911,36 21.911,37 21.911,38 21.911,39 1.82,40 168,41 7.417,42 238.801,43 1.426,44 1.972,45 65.76,46 31.581,47 1.405,48 2.82,49 4.233,50 0.154,51 0.154,52 1.418,53 4.393,54 3.743,55 309.239,56 4.296,57 5.86,58 0.185,59 13.905,60 25.043,61 3.045,62 4.97,63 12.614,64 14.823,65 3.155,66 19.037,67 5.403,68 74.434,69 54.181,70 7.886}
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{0 CHEMBL475251,1 2.979,2 105.445,3 120.223,4 15.352,5 39.73,6 224.9,7 540.515,8 36.18,9 1.498,10 276.436,11 24,12 15.822,13 1.159,14 284.7,15 4.287,16 36.827,17 22.985,18 271.681,19 3.203,20 19.48,21 37.097,22 60,23 0.603,24 0.603,25 4.181,26 23.637,27 4.971,28 12.811,29 3.282,30 1.525,31 1.071,32 16.233,33 1.907,34 22.632,35 22.632,36 22.632,37 22.632,38 22.632,39 1.867,40 140,41 7.486,42 212.487,43 1.479,44 1.576,45 58.712,46 31.555,47 1.341,48 2.972,49 4.251,50 0.352,51 0.352,52 1.36,53 4.11,54 3.639,55 258.171,56 4.124,57 5.824,58 0.386,59 9.389,60 24.457,61 2.901,62 4.852,63 12.559,64 9.584,65 3.298,66 18.11,67 5.17,68 65.113,69 55.24,70 6.461}
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{0 CHEMBL481491,1 2.781,2 92.152,3 103.36,4 13.557,5 19.58,6 186.871,7 447.724,8 25.486,9 1.272,10 222.574,11 19,12 13.039,13 1.069,14 224.574,15 3.998,16 30.518,17 19.475,18 212.574,19 3.129,20 17.024,21 30.716,22 46,23 -0.95,24 -0.95,25 3.911,26 19.838,27 4.688,28 11.095,29 3.185,30 0.922,31 1.02,32 13.842,33 1.341,34 19.179,35 19.179,36 19.179,37 19.179,38 19.179,39 1.5,40 102,41 6.167,42 160.826,43 1.252,44 1.777,45 44.76,46 27.298,47 1.122,48 2.518,49 4.099,50 -0.367,51 -0.367,52 1.106,53 3.948,54 3.514,55 186.045,56 3.937,57 5.233,58 -0.444,59 10.027,60 20.596,61 2.948,62 4.534,63 11.208,64 9.454,65 2.953,66 16.086,67 4.873,68 48.759,69 49.305,70 5.9}
{0 CHEMBL481968,1 2.886,2 112.018,3 115.131,4 15.367,5 23.485,6 209.779,7 503.621,8 36.68,9 1.212,10 245.133,11 20.25,12 14.823,13 0.956,14 245.133,15 4.035,16 32.793,17 20.758,18 245.133,19 3.045,20 17.554,21 33.091,22 47,23 0.421,24 0.421,25 3.961,26 21.415,27 4.601,28 12.038,29 3.105,30 1.466,31 0.902,32 15.206,33 1.851,34 20.938,35 20.938,36 20.938,37 20.938,38 20.938,39 1.56,40 166,41 7.111,42 190.462,43 1.22,44 1.53,45 47.734,46 30.17,47 1.081,48 2.907,49 4.176,50 0.272,51 0.272,52 1.106,53 3.854,54 3.543,55 224.869,56 3.965,57 5.581,58 0.317,59 7.596,60 23.413,61 2.866,62 4.487,63 12.073,64 9.869,65 2.972,66 16.422,67 4.753,68 51.188,69 50.611,70 5.155}
{0 CHEMBL481969,1 3.164,2 132.955,3 134.082,4 17.914,5 22.59,6 245.5,7 590.781,8 43.889,9 1.238,10 270.193,11 22.25,12 17.612,13 1.025,14 270.193,15 4.113,16 37.334,17 23.523,18 270.193,19 3.144,20 20.281,21 38.358,22 52,23 0.855,24 0.855,25 4.05,26 23.806,27 4.769,28 13.132,29 3.174,30 1.534,31 1.002,32 16.885,33 2.258,34 22.955,35 22.955,36 22.955,37 22.955,38 22.955,39 2.042,40 198,41 7.792,42 208.154,43 1.25,44 1.806,45 53.018,46 33.393,47 1.107,48 3.14,49 4.287,50 0.362,51 0.362,52 1.069,53 4.063,54 3.687,55 245.438,56 4.163,57 6.185,58 0.398,59 9.893,60 26.621,61 2.993,62 4.596,63 13.943,64 12.878,65 3.415,66 19.089,67 4.912,68 56.467,69 57.034,70 4.523}
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{0 CHEMBL508928,1 2.903,2 100.125,3 127.739,4 15.533,5 20.473,6 224.314,7 539.086,8 42.77,9 1.419,10 296.465,11 22,12 15.974,13 1.158,14 298.465,15 4.267,16 36.574,17 22.935,18 289.71,19 3.145,20 18.837,21 37.83,22 59,23 1.592,24 1.592,25 4.134,26 22.662,27 4.89,28 12.97,29 3.226,30 2.096,31 1.088,32 15.974,33 1.539,34 22.325,35 22.325,36 22.325,37 22.325,38 22.325,39 1.964,40 156,41 7.083,42 208.691,43 1.39,44 2.248,45 55.327,46 31.311,47 1.307,48 3.004,49 4.238,50 0.618,51 0.618,52 1.317,53 4.15,54 3.67,55 262.955,56 4.128,57 6.186,58 0.906,59 8.38,60 22.949,61 2.964,62 4.775,63 12.112,64 9.797,65 3.163,66 18.744,67 5.129,68 62.102,69 55.918,70 7.5}
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{0 CHEMBL509032,1 3.134,2 137.605,3 170.073,4 20.348,5 45.937,6 314.24,7 758.505,8 58.993,9 1.535,10 452.3,11 28.5,12 21.228,13 1.209,14 452.3,15 4.621,16 50.264,17 30.315,18 437.545,19 3.267,20 24.496,21 53.853,22 86,23 2.419,24 2.419,25 4.496,26 29.213,27 5.508,28 16.129,29 3.344,30 2.323,31 1.134,32 20.15,33 1.895,34 28.021,35 28.021,36 28.021,37 28.021,38 28.021,39 2.127,40 278,41 9.139,42 296.196,43 1.519,44 2.435,45 82.116,46 37.898,47 1.494,48 3.223,49 4.464,50 1,51 1,52 1.466,53 4.679,54 3.968,55 400.874,56 4.539,57 7.52,58 1.316,59 20.106,60 29.855,61 3.029,62 5.281,63 15.822,64 20.784,65 3.309,66 25.451,67 5.768,68 93.039,69 69.2,70 7.469}
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{0 CHEMBL517647,1 2.815,2 103.95,3 108.063,4 14.433,5 23.785,6 206.641,7 495.963,8 32.267,9 1.155,10 246.084,11 18.75,12 13.623,13 0.9,14 246.084,15 4.058,16 31.626,17 19.403,18 246.084,19 2.987,20 16.057,21 32.404,22 47,23 -1.169,24 -1.169,25 3.95,26 19.351,27 4.746,28 10.85,29 3.065,30 0.798,31 0.84,32 14.006,33 1.865,34 18.913,35 18.913,36 18.913,37 18.913,38 18.913,39 1.547,40 130,41 6.611,42 192.7,43 1.167,44 1.243,45 48.392,46 28.323,47 1.078,48 2.902,49 4.095,50 -0.495,51 -0.495,52 1.068,53 3.913,54 3.487,55 231.329,56 3.974,57 5.097,58 -0.524,59 8.783,60 22.585,61 2.828,62 4.542,63 11.403,64 10.94,65 2.909,66 15.384,67 4.925,68 52.892,69 46.323,70 4.523}
{0 CHEMBL519697,1 2.866,2 93.41,3 117.512,4 14.667,5 21.854,6 221.176,7 531.429,8 35.347,9 1.429,10 285.702,11 20.25,12 14.974,13 1.153,14 285.702,15 4.236,16 35.805,17 21.93,18 280.192,19 3.111,20 17.082,21 37.551,22 59,23 0.739,24 0.739,25 4.113,26 21.218,27 4.931,28 12.128,29 3.206,30 1.83,31 1.064,32 14.974,33 1.754,34 20.938,35 20.938,36 20.938,37 20.938,38 20.938,39 1.696,40 157,41 6.861,42 200.812,43 1.376,44 2,45 56,46 29.443,47 1.402,48 2.711,49 4.164,50 0.43,51 0.43,52 1.361,53 4.173,54 3.645,55 246.076,56 4.159,57 5.652,58 0.538,59 10.519,60 21.957,61 2.91,62 4.849,63 11.5,64 11.017,65 3.09,66 18.232,67 5.169,68 63.062,69 51.142,70 5.9}
{0 CHEMBL521851,1 2.949,2 120.258,3 136.875,4 16.967,5 24.599,6 245.425,7 590.598,8 39.378,9 1.554,10 320.405,11 24.5,12 18.256,13 1.307,14 320.405,15 4.373,16 39.936,17 25.347,18 320.405,19 3.264,20 21.261,21 42.313,22 67,23 2.136,24 2.136,25 4.265,26 24.654,27 5.146,28 13.813,29 3.323,30 2,31 1.232,32 16.954,33 1.551,34 23.797,35 23.797,36 23.797,37 23.797,38 23.797,39 1.801,40 159,41 7.333,42 235.802,43 1.508,44 2.032,45 62.683,46 31.943,47 1.429,48 2.884,49 4.307,50 1,51 1,52 1.376,53 4.418,54 3.78,55 293.386,56 4.298,57 6.611,58 1,59 15.742,60 23.993,61 3.118,62 5.038,63 13.148,64 15.122,65 3.048,66 21.963,67 5.383,68 70.108,69 61.455,70 5}
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{0 CHEMBL58,1 3.098,2 98.67,3 122.96,4 14.6,5 29.887,6 227.357,7 546.512,8 40.906,9 1.33,10 278.413,11 20.5,12 15.506,13 1.167,14 278.413,15 4.315,16 36.696,17 22.025,18 278.413,19 3.213,20 17.299,21 37.887,22 62,23 0.214,24 0.214,25 4.196,26 22.155,27 5.093,28 13.442,29 3.236,30 1.39,31 1.141,32 15.506,33 1.544,34 21.778,35 21.778,36 21.778,37 21.778,38 21.778,39 1.686,40 180,41 7.444,42 216.904,43 1.345,44 1.572,45 60.974,46 29.676,47 1.279,48 2.741,49 4.185,50 0.104,51 0.104,52 1.322,53 4.221,54 3.642,55 255.394,56 4.168,57 6.303,58 0.121,59 11.853,60 23.087,61 3.067,62 4.88,63 12.004,64 11.366,65 2.81,66 17.82,67 5.287,68 68.232,69 49.005,70 6}
{0 CHEMBL583144,1 2.036,2 58.008,3 65.057,4 8.395,5 12.19,6 112.331,7 265.847,8 7.406,9 0.203,10 86.439,11 10.75,12 8.667,14 86.439,15 3.246,16 16.653,17 10.856,18 84.439,19 1.922,20 9.744,21 17.352,22 22,23 -5.905,24 -5.905,25 3.201,26 11.177,27 3.322,28 6.055,29 1.926,30 -0.431,32 7.682,33 -0.16,34 10.707,35 10.707,36 10.707,37 10.707,38 10.707,39 0.587,40 25,41 3.417,42 75.684,43 0.197,44 -0.245,45 21.022,46 15.332,48 1.587,49 3.526,50 -1.886,51 -1.886,53 3.355,54 2.96,55 80.439,56 3.44,57 2.834,58 -2.456,59 1.98,60 11.284,61 1.78,62 3.713,63 5.868,64 3.001,65 1.464,66 9.189,67 3.394,68 21.844,69 27.763,70 6.198}
{0 CHEMBL583187,1 2.76,2 88.626,3 109.308,4 13.533,5 18.057,6 192.399,7 461.213,8 27.643,9 1.134,10 245.066,11 18.5,12 13.972,13 0.99,14 245.066,15 4.083,16 31.61,17 19.903,18 242.311,19 2.949,20 16.597,21 33.12,22 51,23 -0.504,24 -0.504,25 3.987,26 19.419,27 4.631,28 10.928,29 2.998,30 1.13,31 0.952,32 13.564,33 1.385,34 18.997,35 18.997,36 18.997,37 18.997,38 18.997,39 1.755,40 117,41 5.889,42 187.233,43 1.148,44 1.324,45 47.433,46 26.58,47 1.121,48 2.814,49 4.086,50 -0.199,51 -0.199,52 1.124,53 4.057,54 3.573,55 220.659,56 4.06,57 5.276,58 -0.233,59 8.342,60 19.25,61 2.825,62 4.655,63 10.402,64 11.29,65 2.94,66 17.308,67 4.84,68 52.365,69 48.893,70 6}
{0 CHEMBL592030,1 2.926,2 101.363,3 131.245,4 15.633,5 9.487,6 220.188,7 529.02,8 29.563,9 1.421,10 293.58,11 21.25,12 16.116,13 1.218,14 293.58,15 4.231,16 36.024,17 22.851,18 291.58,19 3.234,20 19.171,21 38.017,22 58,23 1.382,24 1.382,25 4.107,26 22.828,27 4.86,28 13.169,29 3.305,30 1.976,31 1.142,32 15.708,33 1.532,34 22.334,35 22.334,36 22.334,37 22.334,38 22.334,39 1.702,40 141,41 6.889,42 208.835,43 1.39,44 2.244,45 52.974,46 29.233,47 1.346,48 2.742,49 4.227,50 0.499,51 0.499,52 1.347,53 4.302,54 3.701,55 265.928,56 4.189,57 6.274,58 0.73,59 10.943,60 21.656,61 3.028,62 4.757,63 11.765,64 11.394,65 3.049,66 19.636,67 5.069,68 59.315,69 56.655,70 5.4}
{0 CHEMBL601719,1 2.927,2 96.919,3 118.112,4 14.548,5 23.489,6 215.049,7 516.478,8 28.804,9 1.429,10 269.668,11 19.75,12 14.602,13 1.153,14 269.668,15 4.188,16 34.128,17 21.013,18 269.668,19 3.057,20 17.389,21 35.75,22 55,23 0.427,24 0.427,25 4.068,26 20.687,27 4.893,28 11.629,29 3.157,30 1.427,31 1.064,32 14.436,33 1.564,34 20.068,35 20.068,36 20.068,37 20.068,38 20.068,39 1.589,40 128,41 6.528,42 211.298,43 1.376,44 1.459,45 52.832,46 28.367,47 1.198,48 2.796,49 4.132,50 0.188,51 0.188,52 1.191,53 4.168,54 3.597,55 260.913,56 4.108,57 5.49,58 0.224,59 11.066,60 21.25,61 2.83,62 4.779,63 11.117,64 11.496,65 2.889,66 17.484,67 5.122,68 59.081,69 49.642,70 5.054}
{0 CHEMBL607707,1 3.019,2 102.829,3 127.416,4 15.667,5 30.281,6 235.173,7 565.581,8 38.123,9 1.308,10 298.947,11 21.25,12 15.694,13 1.052,14 298.947,15 4.23,16 37.015,17 22.506,18 298.947,19 3.12,20 18.194,21 38.347,22 58,23 0.348,24 0.348,25 4.115,26 22.598,27 4.857,28 13.049,29 3.191,30 1.45,31 0.99,32 15.816,33 2.053,34 21.963,35 21.963,36 21.963,37 21.963,38 21.963,39 1.979,40 165,41 7.472,42 230.742,43 1.3,44 1.713,45 56.836,46 30.485,47 1.293,48 3.062,49 4.212,50 0.153,51 0.153,52 1.248,53 4.161,54 3.648,55 285.338,56 4.119,57 6.062,58 0.184,59 10.338,60 23.957,61 2.944,62 4.785,63 12.176,64 10.947,65 3.216,66 17.572,67 5.044,68 63.346,69 51.16,70 5.567}
{0 CHEMBL608154,1 2.875,2 82.218,3 98.273,4 12.481,5 12.855,6 177.68,7 425.299,8 19.509,9 1.314,10 210.15,11 17.5,12 12.885,13 1.079,14 210.15,15 3.95,16 28.504,17 17.935,18 208.15,19 3.133,20 14.966,21 29.358,22 44,23 -0.753,24 -0.753,25 3.849,26 18.205,27 4.66,28 10.253,29 3.204,30 0.965,31 1.011,32 12.597,33 1.31,34 17.715,35 17.715,36 17.715,37 17.715,38 17.715,39 1.408,40 84,41 5.722,42 163.743,43 1.31,44 1.092,45 41.687,46 24.403,47 1,48 2.451,49 4.001,50 -0.327,51 -0.327,52 0.997,53 3.954,54 3.438,55 193.395,56 3.933,57 4.739,58 -0.414,59 8.34,60 18.259,61 2.913,62 4.472,63 9.568,64 7.243,65 2.861,66 14.685,67 4.842,68 45.847,69 43.916,70 5}
{0 CHEMBL7064,1 2.221,2 51.647,3 65.355,4 8.133,5 1.291,6 109.655,7 259.319,8 7.031,9 0.754,10 114.096,11 10.75,12 8.36,13 0.584,14 116.096,15 3.48,16 18.338,17 11.96,18 104.587,19 2.493,20 9.924,21 18.75,22 28,23 -4.46,24 -4.46,25 3.39,26 11.957,27 3.933,28 6.855,29 2.548,30 -0.097,31 0.54,32 8.36,33 -0.254,34 11.914,35 11.914,36 11.914,37 11.914,38 11.914,39 0.978,40 24,41 3.611,42 72.039,43 0.72,44 0.028,45 25.182,46 16.144,47 0.545,48 1.98,49 3.615,50 -1.541,51 -1.541,52 0.559,53 3.478,54 3.084,55 86.935,56 3.583,57 3.216,58 -2.187,59 3.708,60 11.405,61 2.289,62 3.967,63 6.275,64 4.23,65 2.481,66 10.486,67 4.118,68 27.452,69 31.165,70 5.9}
{0 CHEMBL91829,1 3.068,2 106.451,3 135.851,4 16.6,5 21.829,6 241.96,7 582.143,8 24.898,9 1.546,10 321.059,11 23.75,12 17.008,13 1.299,14 329.059,15 4.372,16 40.552,17 25.224,18 313.059,19 3.311,20 20.498,21 42.523,22 68,23 2.137,24 2.137,25 4.257,26 24.38,27 5.371,28 13.939,29 3.37,30 2.206,31 1.262,32 17.008,33 1.923,34 23.93,35 23.93,36 23.93,37 23.93,38 23.93,39 1.928,40 119,41 7.472,42 227.108,43 1.61,44 2.452,45 62.992,46 30.705,47 1.416,48 2.97,49 4.308,50 0.846,51 0.846,52 1.41,53 4.561,54 3.796,55 285.549,56 4.384,57 6.631,58 1.071,59 17.453,60 24.104,61 3.125,62 5.002,63 13.061,64 16.368,65 3.325,66 21.726,67 5.576,68 70.604,69 61.664,70 5}
{0 CHEMBL939,1 2.963,2 99.806,3 117.539,4 14.6,5 28.856,6 217.506,7 522.475,8 36.081,9 1.417,10 287.22,11 21.25,12 15.013,13 1.127,14 287.22,15 4.233,16 35.236,17 21.807,18 287.22,19 3.111,20 18.21,21 36.557,22 58,23 0.598,24 0.598,25 4.125,26 22.231,27 4.924,28 12.772,29 3.206,30 1.471,31 1.047,32 15.135,33 1.618,34 21.3,35 21.3,36 21.3,37 21.3,38 21.3,39 1.524,40 152,41 6.944,42 205.859,43 1.376,44 1.555,45 55.945,46 29.48,47 1.259,48 2.589,49 4.172,50 0.282,51 0.282,52 1.274,53 4.094,54 3.614,55 262.591,56 4.075,57 6.022,58 0.34,59 11.224,60 21.631,61 2.91,62 4.851,63 11.46,64 10.914,65 2.82,66 17.542,67 5.162,68 62.472,69 49.662,70 5.45}
{0 CHEMBL941,1 2.962,2 112.246,3 146.651,4 17.633,5 30.255,6 265.482,7 639.535,8 52.079,9 1.503,10 374.438,11 24.75,12 18.03,13 1.223,14 374.438,15 4.443,16 43.186,17 26.45,18 358.928,19 3.242,20 21.073,21 45.631,22 72,23 2.275,24 2.275,25 4.309,26 25.762,27 5.13,28 15.065,29 3.335,30 2.5,31 1.136,32 18.03,33 1.829,34 25.256,35 25.256,36 25.256,37 25.256,38 25.256,39 2.046,40 228,41 8.083,42 239.113,43 1.48,44 2.5,45 67.643,46 34.613,47 1.429,48 3.087,49 4.35,50 1,51 1,52 1.376,53 4.367,54 3.826,55 318.954,56 4.31,57 7.248,58 1.5,59 12.896,60 25.614,61 3.031,62 5.033,63 13.659,64 14.546,65 3.203,66 21.544,67 5.402,68 76.68,69 60.636,70 5.15}
{0 CHEMBL95692,1 2.687,2 80.885,3 96.762,4 12.119,5 18.59,6 179.198,7 429.003,8 21.166,9 1.363,10 221.329,11 18,12 12.365,13 1.153,14 221.329,15 4.072,16 29.42,17 18.396,18 221.329,19 3.005,20 15.192,21 30.512,22 49,23 -1.201,24 -1.201,25 3.948,26 18.673,27 4.739,28 10.774,29 3.09,30 0.81,31 1.064,32 12.758,33 1.04,34 18.077,35 18.077,36 18.077,37 18.077,38 18.077,39 1.326,40 97,41 5.806,42 169.048,43 1.376,44 1.158,45 46.418,46 24.488,47 1.131,48 2.358,49 4.005,50 -0.504,51 -0.504,52 1.11,53 3.99,54 3.454,55 213.719,56 3.918,57 5.052,58 -0.596,59 8.414,60 17.933,61 2.807,62 4.677,63 9.601,64 8.215,65 2.655,66 15.15,67 4.956,68 52.362,69 43.259,70 5.9}