@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5600

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1081312,CHEMBL1082440,CHEMBL1084546,CHEMBL1090356,CHEMBL1090360,CHEMBL116070,CHEMBL1173055,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1236107,CHEMBL1236126,CHEMBL1240703,CHEMBL1241473,CHEMBL1241674,CHEMBL1242373,CHEMBL124660,CHEMBL127898,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1375418,CHEMBL1375640,CHEMBL1381197,CHEMBL1419458,CHEMBL1421,CHEMBL1461728,CHEMBL14762,CHEMBL1516890,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1624529,CHEMBL1682341,CHEMBL1682345,CHEMBL1682346,CHEMBL1682357,CHEMBL1682359,CHEMBL1682360,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682558,CHEMBL1721885,CHEMBL1727312,CHEMBL17370,CHEMBL178737,CHEMBL1789941,CHEMBL180022,CHEMBL1825138,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1870106,CHEMBL189963,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL192161,CHEMBL1958401,CHEMBL196363,CHEMBL1964290,CHEMBL1964307,CHEMBL1964399,CHEMBL1964413,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964777,CHEMBL1964804,CHEMBL1964937,CHEMBL1964948,CHEMBL1965131,CHEMBL1965423,CHEMBL1965495,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965631,CHEMBL1965660,CHEMBL1965836,CHEMBL1965845,CHEMBL1965910,CHEMBL1965988,CHEMBL1966035,CHEMBL1966069,CHEMBL1966087,CHEMBL1966279,CHEMBL1966343,CHEMBL1966425,CHEMBL1966514,CHEMBL1966524,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1967094,CHEMBL1967116,CHEMBL1967302,CHEMBL1967531,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1968070,CHEMBL1968127,CHEMBL1968151,CHEMBL1968245,CHEMBL1968380,CHEMBL1968406,CHEMBL1968590,CHEMBL1968705,CHEMBL1968791,CHEMBL1968850,CHEMBL1968926,CHEMBL1969042,CHEMBL1969049,CHEMBL1969102,CHEMBL1969126,CHEMBL1969190,CHEMBL1969264,CHEMBL1969301,CHEMBL1969372,CHEMBL1969502,CHEMBL1969506,CHEMBL1969523,CHEMBL1969537,CHEMBL1969561,CHEMBL1969588,CHEMBL1969664,CHEMBL1969735,CHEMBL1969755,CHEMBL1969843,CHEMBL1969879,CHEMBL1970074,CHEMBL1970083,CHEMBL1970104,CHEMBL1970142,CHEMBL1970189,CHEMBL1970203,CHEMBL1970217,CHEMBL1970314,CHEMBL1970317,CHEMBL1970340,CHEMBL1970369,CHEMBL1970522,CHEMBL1970709,CHEMBL1970735,CHEMBL1970806,CHEMBL1970879,CHEMBL1970903,CHEMBL1970913,CHEMBL1971017,CHEMBL1971021,CHEMBL1971029,CHEMBL1971141,CHEMBL1971149,CHEMBL1971186,CHEMBL1971245,CHEMBL1971430,CHEMBL1971649,CHEMBL1971694,CHEMBL1971801,CHEMBL1971943,CHEMBL1971947,CHEMBL1972119,CHEMBL1972125,CHEMBL1972142,CHEMBL1972158,CHEMBL1972183,CHEMBL1972221,CHEMBL1972250,CHEMBL1972258,CHEMBL1972276,CHEMBL1972346,CHEMBL1972362,CHEMBL1972489,CHEMBL1972568,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972820,CHEMBL1972840,CHEMBL1972849,CHEMBL1972937,CHEMBL1973098,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973395,CHEMBL1973483,CHEMBL1973540,CHEMBL1973711,CHEMBL1973808,CHEMBL1973860,CHEMBL1973893,CHEMBL1973937,CHEMBL1974157,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974457,CHEMBL1974664,CHEMBL1974702,CHEMBL1974803,CHEMBL1974870,CHEMBL1974935,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975208,CHEMBL1975233,CHEMBL1975256,CHEMBL1975357,CHEMBL1975418,CHEMBL1975490,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1975787,CHEMBL1975900,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976220,CHEMBL1976240,CHEMBL1976328,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1977041,CHEMBL1977135,CHEMBL1977148,CHEMBL1977223,CHEMBL1977346,CHEMBL1977374,CHEMBL1977604,CHEMBL1977681,CHEMBL1977814,CHEMBL1978014,CHEMBL1978099,CHEMBL1978166,CHEMBL1978200,CHEMBL1978448,CHEMBL1978645,CHEMBL1978656,CHEMBL1979057,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979318,CHEMBL1979357,CHEMBL1979516,CHEMBL1979554,CHEMBL1979577,CHEMBL1979718,CHEMBL1979773,CHEMBL1979855,CHEMBL1979883,CHEMBL1979970,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980297,CHEMBL1980391,CHEMBL1980489,CHEMBL1980540,CHEMBL1980704,CHEMBL1980715,CHEMBL1980802,CHEMBL1980896,CHEMBL1980995,CHEMBL1981045,CHEMBL1981047,CHEMBL1981079,CHEMBL1981410,CHEMBL1981720,CHEMBL1981725,CHEMBL1981782,CHEMBL1981947,CHEMBL1982122,CHEMBL1982135,CHEMBL1982167,CHEMBL1982361,CHEMBL1982383,CHEMBL1982465,CHEMBL1982466,CHEMBL1982476,CHEMBL1982506,CHEMBL1982541,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982711,CHEMBL1982753,CHEMBL1982866,CHEMBL1982874,CHEMBL1982880,CHEMBL1982924,CHEMBL1982957,CHEMBL1982980,CHEMBL1982992,CHEMBL1983006,CHEMBL1983025,CHEMBL1983111,CHEMBL1983195,CHEMBL1983309,CHEMBL1983449,CHEMBL1983534,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1984038,CHEMBL1984039,CHEMBL1984044,CHEMBL1984162,CHEMBL1984191,CHEMBL1984206,CHEMBL1984274,CHEMBL1984363,CHEMBL1984367,CHEMBL1984432,CHEMBL1984541,CHEMBL1984586,CHEMBL1984633,CHEMBL1984700,CHEMBL1984711,CHEMBL1984788,CHEMBL1984842,CHEMBL1984847,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985311,CHEMBL1985406,CHEMBL1985566,CHEMBL1985580,CHEMBL1986139,CHEMBL1986186,CHEMBL1986263,CHEMBL1986328,CHEMBL1986499,CHEMBL1986530,CHEMBL1986597,CHEMBL1986603,CHEMBL1986781,CHEMBL1986869,CHEMBL1986943,CHEMBL1986970,CHEMBL1986996,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987054,CHEMBL1987359,CHEMBL1987533,CHEMBL1987648,CHEMBL1987679,CHEMBL1987756,CHEMBL1987793,CHEMBL1987910,CHEMBL1987982,CHEMBL1988075,CHEMBL1988153,CHEMBL1988163,CHEMBL1988173,CHEMBL1988300,CHEMBL1988370,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988594,CHEMBL1988608,CHEMBL1988717,CHEMBL1988838,CHEMBL1988995,CHEMBL1989029,CHEMBL1989069,CHEMBL1989265,CHEMBL1989474,CHEMBL1989518,CHEMBL1989646,CHEMBL1989708,CHEMBL1989805,CHEMBL1989856,CHEMBL1990212,CHEMBL1990254,CHEMBL1990288,CHEMBL1990346,CHEMBL1990415,CHEMBL1990482,CHEMBL1990496,CHEMBL1990583,CHEMBL1990590,CHEMBL1990635,CHEMBL1990821,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991063,CHEMBL1991078,CHEMBL1991138,CHEMBL1991143,CHEMBL1991180,CHEMBL1991188,CHEMBL1991285,CHEMBL1991356,CHEMBL1991395,CHEMBL1991429,CHEMBL1991434,CHEMBL1991577,CHEMBL1991640,CHEMBL1991674,CHEMBL1991678,CHEMBL1991725,CHEMBL1991728,CHEMBL1991800,CHEMBL1991846,CHEMBL1992073,CHEMBL1992242,CHEMBL1992306,CHEMBL1992323,CHEMBL1992342,CHEMBL1992536,CHEMBL1992555,CHEMBL1992634,CHEMBL1992644,CHEMBL1992645,CHEMBL1992732,CHEMBL1992740,CHEMBL1992796,CHEMBL1992922,CHEMBL1992937,CHEMBL1993166,CHEMBL1993243,CHEMBL1993424,CHEMBL1993548,CHEMBL1993584,CHEMBL1993661,CHEMBL1993722,CHEMBL1993781,CHEMBL1993941,CHEMBL1994040,CHEMBL1994074,CHEMBL1994241,CHEMBL1994321,CHEMBL1994361,CHEMBL1994526,CHEMBL1994538,CHEMBL1994693,CHEMBL1994830,CHEMBL1994864,CHEMBL1994938,CHEMBL1995172,CHEMBL1995391,CHEMBL1995448,CHEMBL1995592,CHEMBL1995736,CHEMBL1995740,CHEMBL1995813,CHEMBL1995832,CHEMBL1995927,CHEMBL1996066,CHEMBL1996111,CHEMBL1996155,CHEMBL1996234,CHEMBL1996390,CHEMBL1996500,CHEMBL1996510,CHEMBL1996543,CHEMBL1996587,CHEMBL1996780,CHEMBL1996791,CHEMBL1996817,CHEMBL1996831,CHEMBL1996923,CHEMBL1996931,CHEMBL1996979,CHEMBL1997023,CHEMBL1997025,CHEMBL1997129,CHEMBL1997340,CHEMBL1997349,CHEMBL1997503,CHEMBL1997534,CHEMBL1997597,CHEMBL1997617,CHEMBL1997623,CHEMBL1997759,CHEMBL1997764,CHEMBL1997822,CHEMBL1997846,CHEMBL1997872,CHEMBL1998112,CHEMBL1998121,CHEMBL1998159,CHEMBL1998193,CHEMBL1998414,CHEMBL1998435,CHEMBL1998545,CHEMBL1998551,CHEMBL1998585,CHEMBL1998611,CHEMBL1998829,CHEMBL1998953,CHEMBL1999112,CHEMBL1999126,CHEMBL1999321,CHEMBL1999428,CHEMBL1999496,CHEMBL1999556,CHEMBL1999590,CHEMBL1999714,CHEMBL1999718,CHEMBL1999749,CHEMBL1999774,CHEMBL1999811,CHEMBL1999918,CHEMBL1999931,CHEMBL2000071,CHEMBL2000104,CHEMBL2000114,CHEMBL2000271,CHEMBL2000335,CHEMBL2000345,CHEMBL2000354,CHEMBL2000393,CHEMBL2000408,CHEMBL2000429,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000685,CHEMBL2000724,CHEMBL2000801,CHEMBL2000832,CHEMBL2000894,CHEMBL2000934,CHEMBL2001224,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001485,CHEMBL2001547,CHEMBL2001646,CHEMBL2001668,CHEMBL2001751,CHEMBL2001920,CHEMBL2001923,CHEMBL2001957,CHEMBL2001998,CHEMBL2002165,CHEMBL2002240,CHEMBL2002322,CHEMBL2002323,CHEMBL2002373,CHEMBL2002407,CHEMBL2002446,CHEMBL2002479,CHEMBL2002649,CHEMBL2002660,CHEMBL2002682,CHEMBL2002702,CHEMBL2002726,CHEMBL2002992,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003524,CHEMBL2003638,CHEMBL2003657,CHEMBL2003768,CHEMBL2003817,CHEMBL2004072,CHEMBL2004290,CHEMBL2004311,CHEMBL2004355,CHEMBL2004365,CHEMBL2004419,CHEMBL2004438,CHEMBL2004447,CHEMBL2004544,CHEMBL2004615,CHEMBL2004692,CHEMBL2004716,CHEMBL2004771,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2004934,CHEMBL2005112,CHEMBL2005186,CHEMBL2005214,CHEMBL2005375,CHEMBL2005475,CHEMBL2005528,CHEMBL2005548,CHEMBL2005631,CHEMBL2005792,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006010,CHEMBL2006156,CHEMBL2006188,CHEMBL2006237,CHEMBL2006263,CHEMBL2006276,CHEMBL2006439,CHEMBL2006481,CHEMBL2006493,CHEMBL2006567,CHEMBL2006580,CHEMBL2006581,CHEMBL2006631,CHEMBL2006715,CHEMBL2006778,CHEMBL2006785,CHEMBL2006836,CHEMBL2006933,CHEMBL2007002,CHEMBL2007044,CHEMBL2007064,CHEMBL2007138,CHEMBL2007151,CHEMBL2007296,CHEMBL2007372,CHEMBL2007592,CHEMBL2007603,CHEMBL202721,CHEMBL207253,CHEMBL207400,CHEMBL207995,CHEMBL208637,CHEMBL209534,CHEMBL210032,CHEMBL210618,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL213505,CHEMBL215152,CHEMBL219722,CHEMBL220057,CHEMBL220241,CHEMBL2205426,CHEMBL2207198,CHEMBL2207208,CHEMBL221959,CHEMBL223257,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL225519,CHEMBL226403,CHEMBL226471,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL231209,CHEMBL234085,CHEMBL243088,CHEMBL244378,CHEMBL246970,CHEMBL24828,CHEMBL248757,CHEMBL249282,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL259084,CHEMBL259850,CHEMBL259922,CHEMBL260092,CHEMBL260135,CHEMBL261849,CHEMBL262433,CHEMBL271381,CHEMBL272453,CHEMBL274064,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL296586,CHEMBL300138,CHEMBL302449,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL326282,CHEMBL336961,CHEMBL340384,CHEMBL340921,CHEMBL362558,CHEMBL363648,CHEMBL371206,CHEMBL373598,CHEMBL375284,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379835,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL387971,CHEMBL389745,CHEMBL392642,CHEMBL394619,CHEMBL394790,CHEMBL395080,CHEMBL396523,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL406845,CHEMBL407391,CHEMBL411903,CHEMBL412142,CHEMBL413779,CHEMBL415049,CHEMBL41783,CHEMBL422897,CHEMBL424872,CHEMBL425904,CHEMBL428690,CHEMBL437747,CHEMBL440084,CHEMBL443962,CHEMBL445813,CHEMBL450786,CHEMBL451964,CHEMBL458997,CHEMBL462120,CHEMBL464552,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL485556,CHEMBL491473,CHEMBL491758,CHEMBL494089,CHEMBL497151,CHEMBL504950,CHEMBL507936,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL513846,CHEMBL513909,CHEMBL514499,CHEMBL519697,CHEMBL521851,CHEMBL522892,CHEMBL523823,CHEMBL52387,CHEMBL525191,CHEMBL526133,CHEMBL535,CHEMBL535331,CHEMBL539474,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL565612,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL578061,CHEMBL583144,CHEMBL590109,CHEMBL592030,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL7064,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute nPyrroles numeric
@attribute SaaNH numeric
@attribute Chi0_EA.dm. numeric
@attribute SpMax2_Bh.i. numeric
@attribute Chi1_EA.dm. numeric
@attribute SpMin4_Bh.v. numeric
@attribute P_VSA_LogP_6 numeric
@attribute NaaNH numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax1_Bh.e. numeric
@attribute CATS2D_06_DL numeric
@attribute Hy numeric
@attribute D.Dtr09 numeric
@attribute H.050 numeric
@attribute nHDon numeric
@attribute GMTI numeric
@attribute N.073 numeric
@attribute SpMin3_Bh.v. numeric
@attribute IC5 numeric
@attribute Eta_beta numeric
@attribute C.025 numeric
@attribute SpMax1_Bh.p. numeric
@attribute P_VSA_e_3 numeric
@attribute SaaaC numeric
@attribute SpMax6_Bh.m. numeric
@attribute Eig07_AEA.bo. numeric
@attribute ATSC5p numeric
@attribute SpMin3_Bh.p. numeric
@attribute Eig07_EA.bo. numeric
@attribute CATS2D_02_DL numeric
@attribute XMOD numeric
@attribute SpMax8_Bh.p. numeric
@attribute X2sol numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMax8_Bh.m. numeric
@attribute ATSC5m numeric
@attribute Eig09_EA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SpMin7_Bh.m. numeric
@attribute C.034 numeric
@attribute piPC09 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute ATS5i numeric
@attribute CATS2D_04_DD numeric
@attribute SpMAD_EA.ri. numeric
@attribute piPC08 numeric
@attribute GATS4p numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute pXC50 numeric

@data
{2 3.368,3 4.368,4 3.916,5 2.498,6 1.633,7 17.717,8 1,9 1.597,10 3.902,11 4.093,13 -0.346,15 1,16 1,17 8549,18 1,19 1.928,20 4.758,21 40.5,22 3,23 4.01,24 50.357,26 2.853,27 2.997,28 7.981,29 1.923,30 2.177,31 2,32 88.885,33 2.735,34 12.132,35 0.218,36 2.687,37 19.997,38 2.575,39 2.575,40 1.181,41 1,42 8.009,43 6.579,44 7.074,45 4.819,47 1.437,48 7.513,49 0.992,50 1.682,51 10.037,52 3.884,53 15.085,54 105.742,55 8.778,56 0.767,57 3.876,58 3.969,59 3.685,60 3.557,61 5.067,62 3.514,63 4.342,64 4.468,65 3.966,66 3.915,67 5.557,68 3.863,69 4.56,70 5.1}
{0 CHEMBL101253,3 18.364,4 3.913,5 28.435,6 1.544,7 2.328,9 1.553,10 3.883,11 4.095,12 1,13 -0.356,15 1,16 1,17 7458,18 1,19 1.939,20 4.872,21 38.25,22 3,23 4.02,24 68.122,25 2.127,26 3.047,27 2.887,28 6.324,29 1.929,30 2.053,31 3,32 78.749,33 2.735,34 11.219,35 0.218,36 2.687,37 17.499,38 2.575,39 2.575,40 1.181,42 7.786,43 6.381,44 6.84,45 4.676,47 1.413,48 7.327,49 1.059,50 1.496,51 10.4,52 4.705,53 22.138,54 100.976,55 8.671,56 0.821,57 3.803,58 3.913,59 3.514,60 3.464,61 4.975,62 3.437,63 4.262,64 4.398,65 3.86,66 3.837,67 5.382,68 3.788,69 4.511,70 5.1}
{0 CHEMBL103667,3 36.989,4 4.073,5 47.755,6 1.946,7 4.276,9 1.919,10 4.037,11 4.112,12 6,13 0.111,15 2,16 2,17 26024,18 1,19 1.977,20 5.326,21 48.25,22 3,23 4.047,24 57.585,25 1.871,26 3.392,27 3.493,28 14.355,29 1.982,30 2.652,31 3,32 117.51,33 3.059,34 17.699,35 0.72,36 3.166,37 46.823,38 4.897,39 4.897,40 1.598,42 7.713,43 6.657,44 7.013,45 5.537,47 1.445,48 7.346,49 0.991,50 1.476,51 15.333,52 5.907,53 34.897,54 153.448,55 6.944,56 0.512,57 4.416,58 4.543,59 3.928,60 3.926,61 5.446,62 3.899,63 4.975,64 5.161,65 4.296,66 4.324,67 5.966,68 4.279,69 5.224,70 5.15}
{0 CHEMBL105442,3 16.843,4 3.945,5 19.271,6 1.429,7 29.92,9 1.425,10 3.897,11 4.002,12 1,13 0.352,15 2,16 2,17 6836,18 1,19 1.68,20 4.978,21 29.75,22 1,23 4.034,24 38.636,26 3.249,27 2.872,28 6.22,29 1.699,30 1.964,31 3,32 92.629,33 2.716,34 11.547,35 0.17,36 2.872,37 12.827,38 2.393,39 2.393,40 1.093,42 6.586,43 5.809,44 5.966,45 4.525,46 1,47 1.344,48 6.235,49 0.725,50 1.983,51 9.88,52 4.908,53 24.087,54 99.228,55 12.274,56 0.444,57 3.792,58 3.884,59 3.775,60 3.435,61 5.022,62 3.394,63 4.273,64 4.4,65 4.197,66 3.786,67 5.534,68 3.708,69 4.519,70 5}
{0 CHEMBL1081312,1 1,2 3.111,3 9.487,4 4.075,5 7.5,6 1.78,7 14.099,8 1,9 1.751,10 4.024,11 4.173,12 4,13 1.039,14 160.199,15 3,16 3,17 6351,18 2,19 1.793,20 4.821,21 33.5,22 3,23 4.042,24 118.479,25 3.55,26 2.869,27 3.033,28 5.727,29 1.791,30 2.3,31 3,32 73.909,33 2.619,34 10.782,35 0.125,36 2.583,37 17.915,38 2.661,39 2.661,40 1.179,42 8.22,43 6.837,44 7.362,45 4.713,47 1.477,48 7.89,49 0.688,50 1.489,51 7.958,52 2.304,53 5.309,54 92.691,55 7.79,56 0.714,57 3.866,58 4.003,59 3.491,60 3.399,61 4.96,62 3.4,63 4.407,64 4.584,65 3.888,66 3.84,67 5.44,68 3.815,69 4.643,70 6.1}
{0 CHEMBL1082440,3 17.457,4 3.927,5 25.392,6 1.665,9 1.633,10 3.886,11 4.173,12 2,13 -0.265,15 1,16 1,17 4109,19 1.872,20 4.973,21 27,22 3,23 4.154,24 36.315,25 1.642,26 2.979,27 2.589,28 12.051,29 1.853,30 1.589,31 1,32 73.491,33 2.516,34 11.108,35 0.399,36 2.509,37 40.448,38 2.293,39 2.293,40 1.172,42 7.161,43 6.135,44 6.517,45 5.105,47 1.437,48 6.815,49 1.267,50 1.636,51 7.182,52 1.577,53 2.486,54 87.781,55 7.43,56 0.458,57 3.852,58 3.966,59 3.602,60 3.427,61 4.807,62 3.36,63 4.444,64 4.629,65 3.909,66 3.84,67 5.605,68 3.754,69 4.74,70 6.5}
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{0 CHEMBL1336,3 27.261,4 3.946,5 35.352,6 1.678,7 4.276,9 1.68,10 3.924,11 3.988,13 0.946,15 3,16 3,17 15376,19 1.924,20 5.22,21 43.5,22 1,23 3.891,24 70.818,26 3.356,27 3.361,28 7.271,29 1.931,30 2.613,31 4,32 100.132,33 2.786,34 12.882,35 0.238,36 2.861,37 18.246,38 3.427,39 3.427,40 1.196,42 6.755,43 5.977,44 6.322,45 4.809,47 1.379,48 6.484,49 1.179,50 1.965,51 14.281,52 4.176,53 17.437,54 110.459,55 9.685,56 0.529,57 4.003,58 4.1,59 3.755,60 3.517,61 5.316,62 3.555,63 4.496,64 4.622,65 4.2,66 3.853,67 6.254,68 3.888,69 4.687,70 5.15}
{0 CHEMBL1375418,3 12.138,4 3.962,5 17.319,6 1.591,7 2.328,9 1.573,10 3.929,11 4.114,12 3,13 -0.342,14 94.217,15 1,16 1,17 7092,18 1,19 1.931,20 4.803,21 35.75,22 3,23 3.947,24 69.164,25 0.731,26 2.834,27 2.82,28 5.746,29 1.93,30 1.97,31 2,32 73.065,33 2.735,34 10.446,35 0.218,36 2.687,37 18.259,38 2.275,39 2.275,40 1.181,42 7.583,43 6.406,44 6.84,45 4.66,47 1.449,48 7.306,49 0.971,50 1.411,51 10.75,52 4.302,53 18.507,54 98.445,55 7.693,56 0.815,57 3.828,58 3.956,59 3.445,60 3.417,61 4.958,62 3.397,63 4.304,64 4.471,65 3.778,66 3.779,67 5.374,68 3.741,69 4.504,70 5.3}
{0 CHEMBL1375640,3 13.497,4 3.899,5 14.329,6 1.566,7 3.257,9 1.532,10 3.878,11 3.978,12 1,13 0.393,15 2,16 2,17 5193,19 1.692,20 4.879,21 31.5,23 3.939,24 83.254,26 2.952,27 2.841,28 5.906,29 1.687,30 1.972,32 73.512,33 2.596,34 10.623,35 0.068,36 2.637,37 17.508,38 2.358,39 2.358,40 0.955,41 1,42 6.723,43 5.77,44 6.08,45 4.365,47 1.345,48 6.454,49 1.447,50 1.852,51 9.5,52 3.44,53 11.836,54 89.112,55 9.51,56 0.708,57 3.682,58 3.781,59 3.504,60 3.314,61 4.882,62 3.277,63 4.143,64 4.278,65 3.912,66 3.661,67 5.35,68 3.603,69 4.267,70 5.2}
{0 CHEMBL1381197,3 11.313,4 3.939,5 16.489,6 1.498,7 2.328,9 1.496,10 3.911,11 4.113,12 3,13 -0.301,14 94.217,15 1,16 1,17 7092,18 1,19 1.922,20 4.774,21 36,22 2,23 3.945,24 69.164,25 0.714,26 2.893,27 2.82,28 5.149,29 1.922,30 1.97,31 2,32 76.24,33 2.708,34 10.854,35 0.218,36 2.687,37 15.282,38 2.275,39 2.275,40 1.181,42 7.583,43 6.406,44 6.84,45 4.537,47 1.418,48 7.306,49 0.968,50 1.564,51 10.75,52 4.48,53 20.072,54 98.209,55 8.837,56 0.815,57 3.771,58 3.887,59 3.497,60 3.387,61 4.941,62 3.373,63 4.235,64 4.379,65 3.858,66 3.753,67 5.376,68 3.721,69 4.452,70 5.2}
{0 CHEMBL1419458,3 12.198,4 3.921,5 8.953,6 1.654,7 7.413,9 1.718,10 3.878,11 4.056,12 4,13 1.059,15 3,16 3,17 9905,18 1,19 1.716,20 4.919,21 42.25,22 2,23 3.916,24 158.407,26 2.952,27 2.929,28 4.245,29 1.757,30 2.105,32 88.097,33 2.735,34 11.865,35 0.218,36 2.687,37 13.716,38 2.611,39 2.611,40 1.181,41 1,42 7.442,43 6.353,44 6.768,45 4.644,47 1.446,48 7.135,49 0.946,50 1.745,51 10.607,52 1.666,53 2.776,54 104.153,55 9.156,56 0.71,57 3.886,58 4.007,59 3.62,60 3.366,61 5.241,62 3.412,63 4.287,64 4.427,65 3.93,66 3.702,67 5.592,68 3.738,69 4.444,70 5.2}
{0 CHEMBL1421,3 32.957,4 3.959,5 53.106,6 1.659,7 6.014,9 1.655,10 3.92,11 3.993,13 0.922,15 3,16 3,17 16711,18 1,19 1.898,20 5.315,21 41.75,22 1,23 3.912,24 92.627,26 3.265,27 3.232,28 13.007,29 1.911,30 2.478,31 3,32 107.355,33 2.957,34 15.485,35 0.605,36 2.993,37 45.193,38 3.876,39 3.876,40 1.513,41 1,42 7.016,43 6.035,44 6.261,45 5.295,47 1.362,48 6.662,49 1.061,50 1.781,51 14.515,52 3.439,53 11.829,54 130.334,55 8.272,56 0.472,57 4.186,58 4.31,59 3.868,60 3.71,61 5.289,62 3.681,63 4.723,64 4.911,65 4.273,66 4.092,67 5.802,68 4.04,69 4.941,70 5.15}
{0 CHEMBL1461728,2 2.827,3 9.147,4 3.942,5 11.354,6 1.434,7 17.104,8 1,9 1.473,10 3.917,11 4.099,13 0.393,14 74.713,15 2,16 2,17 3488,18 1,19 1.598,20 4.858,21 28,22 2,23 3.99,24 51.337,25 1.792,26 2.792,27 2.603,28 3.79,29 1.648,30 1.65,31 5,32 58.128,33 2.05,34 7.741,36 2.175,37 10.744,38 1.116,39 1.116,40 0.998,41 1,42 6.534,43 5.927,44 6.289,45 4.118,47 1.455,48 6.592,49 1.027,50 1.71,51 8.053,52 2.464,53 6.071,54 69.544,55 8.802,56 0.762,57 3.511,58 3.621,59 3.211,60 3.099,61 4.792,62 3.112,63 3.955,64 4.078,65 3.558,66 3.456,67 5.282,68 3.458,69 4.17,70 5.2}
{0 CHEMBL14762,3 24.833,4 3.936,5 38.665,6 1.812,7 4.227,9 1.814,10 3.901,11 4.109,12 6,13 0.974,14 107.706,15 3,16 3,17 7233,18 1,19 1.913,20 5.003,21 32.5,22 1,23 3.925,24 88.277,25 1.526,26 3.093,27 2.908,28 6.812,29 1.9,30 2.069,31 2,32 79.084,33 2.735,34 10.91,35 0.469,36 2.717,37 30.377,38 2.389,39 2.389,40 1.417,42 7.196,43 6.273,44 6.662,45 5.117,46 1,47 1.391,48 7.062,49 0.986,50 1.5,51 9.462,52 3.181,53 10.12,54 106.143,55 6.817,56 0.571,57 4.034,58 4.18,59 3.519,60 3.496,61 5.088,62 3.472,63 4.572,64 4.785,65 3.856,66 3.869,67 5.559,68 3.815,69 4.81,70 5}
{0 CHEMBL1516890,1 1,3 10.682,4 3.988,5 13.192,6 1.601,7 13.915,9 1.621,10 3.953,11 4.153,12 1,13 -0.338,14 141.07,15 1,16 1,17 4340,18 1,19 1.814,20 4.948,21 31.5,22 2,23 4.071,24 36.695,25 2.272,26 2.724,27 2.839,28 5.886,29 1.82,30 1.97,31 2,32 63.522,33 2.394,34 9.406,35 0.181,36 2.539,37 13.753,38 2.52,39 2.52,40 1.053,41 1,42 7.63,43 6.448,44 6.939,45 4.444,47 1.5,48 7.397,49 1.031,50 1.489,51 7.905,52 2.508,53 6.292,54 81.405,55 8.098,56 0.667,57 3.659,58 3.768,59 3.318,60 3.282,61 4.818,62 3.273,63 4.149,64 4.294,65 3.699,66 3.685,67 5.289,68 3.664,69 4.328,70 5.9}
{0 CHEMBL1614701,3 18.997,4 3.915,5 21.153,6 1.729,7 17.104,9 1.742,10 3.893,11 4.134,12 2,13 1.055,14 114.279,15 3,16 3,17 7560,18 2,19 1.766,20 5.184,21 34,22 1,23 4.012,24 103.275,25 0.549,26 3.238,27 2.878,28 7.175,29 1.788,30 2.019,31 3,32 94.181,33 2.615,34 12.426,35 0.172,36 2.813,37 17.834,38 3.006,39 3.006,40 1.129,41 1,42 7.528,43 6.5,44 6.891,45 4.713,46 2,47 1.364,48 7.294,49 0.893,50 2.039,51 9.815,52 3.234,53 10.461,54 102.384,55 10.898,56 0.552,57 3.88,58 3.977,59 3.747,60 3.406,61 5.143,62 3.419,63 4.367,64 4.502,65 4.17,66 3.789,67 5.626,68 3.787,69 4.575,70 5}
{0 CHEMBL1614705,2 3.078,3 16.683,4 3.901,5 16.542,6 1.678,7 17.717,8 1,9 1.711,10 3.863,11 4.083,12 1,13 0.296,15 2,16 2,17 9839,18 1,19 1.892,20 5.127,21 36.75,22 2,23 3.976,24 70.021,26 3.236,27 2.924,28 10.036,29 1.906,30 2.095,31 2,32 92.242,33 2.733,34 12.369,35 0.374,36 2.8,37 29.916,38 3.125,39 3.125,40 1.278,41 1,42 7.569,43 6.354,44 6.772,45 5.156,47 1.416,48 7.194,49 1.049,50 1.819,51 10.621,52 2.832,53 8.02,54 107.681,55 8.664,56 0.531,57 3.998,58 4.11,59 3.681,60 3.537,61 5.19,62 3.539,63 4.532,64 4.692,65 4.061,66 3.948,67 5.693,68 3.928,69 4.804,70 5.2}
{0 CHEMBL162,1 2,3 28.268,4 4.046,5 43.083,6 1.944,7 20.348,9 1.937,10 4.019,11 4.366,12 10,13 0.134,14 304.128,15 2,16 2,17 14300,18 2,19 2.003,20 5.566,21 44.25,22 6,23 4.286,24 39.82,25 8.778,26 3.272,27 3.521,28 19.901,29 2.019,30 2.862,31 3,32 106.923,33 2.985,34 16.322,35 0.67,36 3.042,37 52.426,38 5.664,39 5.664,40 1.577,41 4,42 9.871,43 7.931,44 8.645,45 5.717,47 1.536,48 9.319,49 0.967,50 1.512,51 8.057,52 3.82,53 14.59,54 131.874,55 7.649,56 0.571,57 4.263,58 4.37,59 3.882,60 3.832,61 5.286,62 3.826,63 4.873,64 5.021,65 4.374,66 4.318,67 5.859,68 4.309,69 5.178,70 8.523}
{0 CHEMBL1624529,3 29.209,4 4.017,5 44.125,6 1.585,7 61.307,9 1.611,10 3.983,11 4.098,12 1,13 0.966,15 3,16 3,17 10746,18 1,19 1.762,20 5.136,21 38.25,22 1,23 3.973,24 55.931,26 3.049,27 3.245,28 8.416,29 1.778,30 2.462,31 3,32 91.681,33 2.645,34 12.384,35 0.162,36 2.822,37 20.404,38 3.973,39 3.973,40 1.121,42 7.77,43 6.514,44 6.948,45 4.904,47 1.491,48 7.351,49 0.738,50 1.88,51 10.033,52 2.188,53 4.787,54 101.04,55 9.253,56 0.353,57 3.98,58 4.077,59 3.703,60 3.501,61 5.283,62 3.545,63 4.501,64 4.633,65 4.124,66 3.904,67 5.894,68 3.941,69 4.792,70 5.2}
{0 CHEMBL1682341,2 2.941,3 13.601,4 3.983,5 17.212,6 1.587,7 13.915,8 1,9 1.606,10 3.94,11 4.124,13 -0.291,14 81.465,15 1,16 1,17 5126,18 2,19 1.646,20 4.793,21 31.25,22 2,23 4.004,24 68.306,25 2.08,26 2.788,27 2.751,28 4.401,29 1.675,30 1.863,31 2,32 64.73,33 2.259,34 9.203,35 0.154,36 2.332,37 13.014,38 2.136,39 2.136,40 1.104,41 1,42 7.47,43 6.278,44 6.767,45 4.364,47 1.46,48 7.231,49 0.982,50 1.449,51 9.381,52 3.215,53 10.334,54 83.612,55 8.098,56 0.875,57 3.669,58 3.796,59 3.333,60 3.262,61 4.836,62 3.253,63 4.131,64 4.282,65 3.657,66 3.641,67 5.22,68 3.615,69 4.307,70 5.6}
{0 CHEMBL1682345,2 2.945,3 8.381,4 3.998,5 13.558,6 1.593,7 13.915,8 1,9 1.643,10 3.947,11 4.12,13 -0.291,14 81.465,15 1,16 1,17 5126,18 2,19 1.676,20 4.793,21 31.25,22 3,23 4.013,24 68.306,25 2.098,26 2.789,27 2.751,28 4.169,29 1.701,30 1.863,31 2,32 64.768,33 2.268,34 9.203,35 0.139,36 2.332,37 13.199,38 2.136,39 2.136,40 1.101,41 1,42 7.47,43 6.278,44 6.767,45 4.372,47 1.461,48 7.231,49 1.018,50 1.449,51 9.381,52 3.187,53 10.155,54 83.897,55 8.098,56 0.875,57 3.669,58 3.796,59 3.333,60 3.262,61 4.835,62 3.253,63 4.133,64 4.287,65 3.654,66 3.643,67 5.219,68 3.618,69 4.303,70 6.1}
{0 CHEMBL1682346,2 2.78,3 11.544,4 4,5 16.058,6 1.67,7 11.771,8 1,9 1.695,10 3.948,11 4.122,13 1.069,14 85.729,15 3,16 3,17 5655,18 2,19 1.697,20 4.837,21 32.5,22 3,23 4.013,24 101.203,25 1.744,26 2.786,27 2.78,28 4.522,29 1.748,30 1.906,31 2,32 67.475,33 2.349,34 9.731,35 0.072,36 2.456,37 14.76,38 2.136,39 2.136,40 1.059,42 7.595,43 6.352,44 6.843,45 4.482,47 1.469,48 7.319,49 1.054,50 1.481,51 9.5,52 2.702,53 7.299,54 87.602,55 8.066,56 0.84,57 3.729,58 3.865,59 3.378,60 3.289,61 4.92,62 3.287,63 4.184,64 4.342,65 3.717,66 3.677,67 5.299,68 3.657,69 4.367,70 5.8}
{0 CHEMBL1682357,2 2.94,3 7.276,4 3.972,5 10.294,6 1.588,7 7.593,8 1,9 1.604,10 3.94,11 4.119,12 1,13 -0.338,14 81.465,15 1,16 1,17 5126,18 1,19 1.631,20 4.793,21 31.25,22 3,23 4.017,24 52.923,25 2.08,26 2.791,27 2.751,28 4.906,29 1.655,30 1.863,31 2,32 64.609,33 2.284,34 9.203,35 0.154,36 2.325,37 12.958,38 2.136,39 2.136,40 1.105,41 2,42 7.47,43 6.278,44 6.767,45 4.337,47 1.474,48 7.231,49 0.997,50 1.489,51 9.381,52 3.719,53 13.834,54 81.842,55 8.098,56 0.875,57 3.666,58 3.769,59 3.327,60 3.289,61 4.837,62 3.276,63 4.126,64 4.256,65 3.652,66 3.667,67 5.217,68 3.638,69 4.306,70 5.4}
{0 CHEMBL1682359,2 2.928,3 3.638,4 3.895,5 1.471,6 1.501,7 7.593,8 1,9 1.481,10 3.86,11 4.116,12 1,13 -0.256,14 61.84,15 1,16 1,17 2507,18 1,19 1.602,20 4.615,21 22.75,22 2,23 4.013,24 52.923,25 2.109,26 2.527,27 2.213,28 3.732,29 1.652,30 1.115,31 2,32 52.504,33 1.956,34 7.252,36 2.077,37 11.388,38 0.969,39 0.969,40 0.972,41 2,42 7.164,43 6.107,44 6.568,45 4.154,47 1.466,48 7.002,49 0.931,50 1.541,51 7.765,52 3.143,53 9.881,54 66.348,55 7.576,56 0.789,57 3.529,58 3.647,59 3.129,60 3.082,61 4.655,62 3.066,63 4.019,64 4.185,65 3.444,66 3.452,67 5.038,68 3.417,69 4.174,70 5.4}
{0 CHEMBL1682360,2 2.955,3 10.227,4 3.955,5 13.229,6 1.595,7 7.593,8 1,9 1.639,10 3.899,11 4.118,12 1,13 -0.291,14 81.465,15 1,16 1,17 5126,18 1,19 1.671,20 4.67,21 26,22 2,23 4.013,24 56.047,25 2.119,26 2.866,27 2.537,28 5.871,29 1.666,30 1.551,31 2,32 65.222,33 2.399,34 9.203,35 0.393,36 2.414,37 17.957,38 2.136,39 2.136,40 1.216,41 2,42 7.271,43 6.168,44 6.642,45 4.61,47 1.454,48 7.084,49 0.899,50 1.515,51 9.381,52 3.157,53 9.967,54 82.841,55 7.241,56 0.625,57 3.79,58 3.917,59 3.359,60 3.317,61 4.819,62 3.298,63 4.346,64 4.531,65 3.689,66 3.73,67 5.268,68 3.686,69 4.576,70 5.3}
{0 CHEMBL1682540,2 2.937,4 4.065,6 1.481,7 25.686,8 1,9 1.496,10 4.009,11 4.153,13 -0.225,14 117.108,15 1,16 1,17 3145,18 2,19 1.604,20 4.755,21 28.75,22 2,23 4.031,24 68.184,25 2.818,26 2.727,27 2.741,28 3.15,29 1.653,30 1.858,31 2,32 55.785,33 2.031,34 8.06,36 2.045,37 8.33,38 0.995,39 0.995,40 0.929,41 1,42 7.849,43 6.54,44 7.049,45 3.993,47 1.461,48 7.575,49 0.968,50 1.487,51 7.222,52 2.054,53 4.218,54 68.032,55 8.714,56 0.952,57 3.479,58 3.597,59 3.204,60 3.059,61 4.673,62 3.077,63 3.939,64 4.084,65 3.565,66 3.452,67 5.108,68 3.457,69 4.059,70 5.2}
{0 CHEMBL1682545,2 2.956,3 9.487,4 3.951,5 17.5,6 1.462,7 13.915,8 1,9 1.486,10 3.914,11 4.113,12 2,13 0.331,14 81.465,15 2,16 2,17 5126,18 2,19 1.601,20 4.802,21 32,22 2,23 4.03,24 68.122,25 2.134,26 2.829,27 2.751,28 6.12,29 1.65,30 1.863,31 5,32 68.605,33 2.262,34 9.78,35 0.165,36 2.48,37 17.168,38 2.136,39 2.136,40 1.091,41 1,42 7.47,43 6.278,44 6.767,45 4.251,47 1.419,48 7.231,49 0.864,50 1.559,51 9.381,52 3.968,53 15.745,54 85.95,55 8.86,56 0.875,57 3.639,58 3.748,59 3.425,60 3.322,61 4.795,62 3.278,63 4.083,64 4.207,65 3.783,66 3.684,67 5.204,68 3.628,69 4.238,70 5.2}
{0 CHEMBL1682546,2 2.962,3 9.712,4 3.956,5 15.848,6 1.595,7 13.915,8 1,9 1.606,10 3.92,11 4.112,12 2,13 0.304,14 88.391,15 2,16 2,17 6023,18 1,19 1.618,20 4.892,21 32.5,22 3,23 4.029,24 68.122,25 2.144,26 2.835,27 2.817,28 6.615,29 1.654,30 1.951,31 4,32 71.651,33 2.458,34 10.122,35 0.218,36 2.521,37 17.698,38 2.136,39 2.136,40 1.091,41 1,42 7.375,43 6.231,44 6.69,45 4.409,47 1.422,48 7.151,49 1.016,50 1.537,51 10.182,52 3.81,53 14.517,54 92.27,55 8.512,56 0.84,57 3.712,58 3.826,59 3.463,60 3.384,61 4.837,62 3.334,63 4.176,64 4.316,65 3.81,66 3.751,67 5.252,68 3.685,69 4.337,70 5.2}
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{0 CHEMBL1964290,1 1,2 3.244,3 9.269,4 3.909,5 6.931,6 1.569,7 7.413,8 1,9 1.593,10 3.869,11 4.088,12 5,13 2.675,15 5,16 5,17 4908,18 1,19 1.706,20 4.984,21 32.75,22 4,23 4.002,24 116.151,26 2.936,27 2.866,28 8.479,29 1.733,30 2.028,31 4,32 68.241,33 2.559,34 10.266,36 2.577,37 24.021,38 2.475,39 2.475,40 1.246,41 2,42 7.481,43 6.312,44 6.704,45 4.924,46 1,47 1.482,48 7.116,49 1.27,50 1.557,51 7.957,52 2.942,53 8.656,54 90.446,55 7.685,56 0.68,57 3.793,58 3.928,59 3.373,60 3.34,61 5.01,62 3.33,63 4.249,64 4.42,65 3.747,66 3.715,67 5.482,68 3.685,69 4.427,70 6}
{0 CHEMBL1964307,2 2.935,3 16.003,4 3.977,5 20.616,6 1.649,7 4.472,8 1,9 1.697,10 3.942,11 4.135,12 5,13 1.624,14 117.778,15 4,16 4,17 9969,18 1,19 1.913,20 5.198,21 39,22 5,23 4.053,24 84.234,25 1.828,26 2.993,27 3.168,28 8.58,29 1.904,30 2.384,31 6,32 80.767,33 2.735,34 11.982,35 0.28,36 2.736,37 23.747,38 2.803,39 2.803,40 1.249,41 1,42 7.515,43 6.439,44 6.868,45 4.91,47 1.476,48 7.317,49 1.093,50 1.458,51 11.37,52 4.09,53 16.731,54 109.069,55 7.584,56 0.733,57 3.95,58 4.076,59 3.534,60 3.556,61 5.107,62 3.529,63 4.421,64 4.574,65 3.886,66 3.945,67 5.538,68 3.895,69 4.658,70 5.9}
{0 CHEMBL1964399,3 31.33,4 3.936,5 51.659,6 1.788,7 4.227,9 1.811,10 3.912,11 4,12 6,13 0.908,15 3,16 3,17 12585,18 1,19 1.914,20 4.935,21 39,23 3.866,24 85.153,26 3.051,27 3.175,28 10.175,29 1.919,30 2.245,31 2,32 93.274,33 2.77,34 13.935,35 0.574,36 2.858,37 33.392,38 4.109,39 4.109,40 1.565,42 7.326,43 6.179,44 6.549,45 5.198,47 1.408,48 6.934,49 0.918,50 1.615,51 12.581,52 3.553,53 12.626,54 118.804,55 7.337,56 0.364,57 4.155,58 4.271,59 3.689,60 3.603,61 5.334,62 3.605,63 4.643,64 4.83,65 4.029,66 3.921,67 5.756,68 3.917,69 4.822,70 6.7}
{0 CHEMBL1964413,2 2.794,3 15.723,4 4.031,5 21.746,6 1.595,7 13.915,8 1,9 1.645,10 3.996,11 4.123,13 -0.2,14 126.658,15 1,16 1,17 10910,18 2,19 1.694,20 5.034,21 36.75,22 5,23 4.016,24 68.306,25 1.625,26 3.163,27 3.034,28 6.7,29 1.734,30 2.301,31 2,32 88.631,33 2.557,34 10.355,35 0.158,36 2.714,37 19.883,38 3.718,39 3.718,40 1.112,41 1,42 7.637,43 6.546,44 6.977,45 4.83,47 1.447,48 7.39,49 1.128,50 1.816,51 11.172,52 5.071,53 25.718,54 95.845,55 10.283,56 0.656,57 3.873,58 3.977,59 3.672,60 3.376,61 5.212,62 3.441,63 4.431,64 4.56,65 4.202,66 3.766,67 6.472,68 3.842,69 4.52,70 5.2}
{0 CHEMBL1964444,3 18.603,4 3.949,5 25.872,6 1.53,7 6.604,9 1.575,10 3.909,11 4.081,12 3,13 0.352,15 2,16 2,17 7007,19 1.714,20 4.998,21 35,22 2,23 4.009,24 69.593,25 1.426,26 2.934,27 2.904,28 5.731,29 1.715,30 2.097,31 3,32 75.459,33 2.527,34 9.748,35 0.113,36 2.633,37 16.113,38 2.54,39 2.54,40 1.114,42 7.097,43 6.181,44 6.507,45 4.623,47 1.418,48 6.758,49 1.083,50 1.818,51 9.76,52 3.955,53 15.64,54 85.212,55 9.114,56 0.63,57 3.773,58 3.883,59 3.482,60 3.299,61 5.06,62 3.333,63 4.282,64 4.424,65 3.943,66 3.645,67 6.086,68 3.675,69 4.447,70 5.2}
{0 CHEMBL1964644,3 16.902,4 3.926,5 24.954,6 1.438,7 4.276,9 1.441,10 3.899,11 3.954,12 2,13 0.548,15 2,16 2,17 3519,19 1.709,20 4.444,21 27.5,22 1,23 3.862,24 58.477,26 2.687,27 2.5,28 3.622,29 1.749,30 1.5,31 2,32 62.762,33 2.196,34 8.774,36 2.358,37 11.426,38 1.268,39 1.268,40 0.892,42 5.076,43 5.079,44 5.041,45 4.07,47 1.368,48 5.026,49 0.893,50 1.96,51 9.421,52 1.546,53 2.39,54 70.53,55 9.597,56 0.55,57 3.509,58 3.61,59 3.326,60 3.055,61 4.835,62 3.044,63 3.945,64 4.067,65 3.702,66 3.381,67 5.449,68 3.349,69 4.093,70 5.2}
{0 CHEMBL1964687,3 25.444,4 3.985,5 33.935,6 1.707,7 7.962,9 1.706,10 3.953,11 4.142,12 9,13 1.598,14 175.597,15 4,16 4,17 12924,19 1.896,20 5.094,21 42.5,22 6,23 4.135,24 102.49,25 1.863,26 3.119,27 3.258,28 10.19,29 1.915,30 2.538,31 5,32 93.519,33 2.872,34 14.501,35 0.485,36 2.948,37 28.859,38 4.861,39 4.861,40 1.285,41 1,42 8.059,43 6.798,44 7.219,45 5.035,47 1.46,48 7.744,49 1.177,50 1.596,51 11.867,52 4.42,53 19.532,54 122.763,55 8.148,56 0.647,57 4.048,58 4.166,59 3.738,60 3.684,61 5.176,62 3.643,63 4.554,64 4.709,65 4.166,66 4.112,67 5.669,68 4.044,69 4.772,70 5.6}
{0 CHEMBL1964692,3 22.502,4 3.982,5 31.901,6 1.729,7 8.748,9 1.759,10 3.95,11 4.136,12 5,13 1.664,14 140.807,15 4,16 4,17 14109,18 1,19 1.896,20 5.179,21 43.5,22 4,23 4.027,24 104.144,25 1.568,26 3.223,27 3.361,28 7.687,29 1.907,30 2.649,31 5,32 93.816,33 2.764,34 12.521,35 0.233,36 2.788,37 23.457,38 4.187,39 4.187,40 1.205,41 1,42 7.659,43 6.564,44 7.026,45 4.982,47 1.45,48 7.406,49 1.2,50 1.794,51 12.839,52 3.475,53 12.077,54 111.37,55 8.884,56 0.647,57 4.012,58 4.133,59 3.704,60 3.525,61 5.288,62 3.556,63 4.513,64 4.66,65 4.156,66 3.905,67 6.208,68 3.929,69 4.685,70 5.2}
{0 CHEMBL1964777,3 10.922,4 3.897,5 12.031,6 1.246,7 17.064,9 1.235,10 3.875,11 4.078,13 0.41,14 73.992,15 2,16 2,17 3649,19 1.68,20 4.789,21 28.75,22 1,23 4.08,24 49.683,25 1.51,26 2.813,27 2.664,28 4.201,29 1.696,30 1.741,32 64.917,33 2.074,34 8.972,36 2.282,37 8.847,38 1.772,39 1.772,40 0.986,41 2,42 7.186,43 6.241,44 6.559,45 4.047,47 1.406,48 7.018,49 1.138,50 1.898,51 7.9,52 2.601,53 6.763,54 74.101,55 9.942,56 0.727,57 3.522,58 3.596,59 3.374,60 3.178,61 4.848,62 3.165,63 3.954,64 4.038,65 3.783,66 3.544,67 5.368,68 3.514,69 4.146,70 5.2}
{0 CHEMBL1964804,3 6.915,4 3.935,5 6.587,6 1.638,9 1.607,10 3.965,11 4.094,12 1,13 -0.26,15 1,16 1,17 6786,19 1.904,20 5.095,21 34.75,22 4,23 4.041,24 49.976,25 2.18,26 2.929,27 2.839,28 7.384,29 1.884,30 1.99,32 81.668,33 2.513,34 12.382,35 0.171,36 2.623,37 20.876,38 2.517,39 2.517,40 1.061,42 7.616,43 6.25,44 6.738,45 4.721,47 1.419,48 7.176,49 1.136,50 1.736,51 10.875,52 1.117,53 1.247,54 91.16,55 8.377,56 0.654,57 3.824,58 3.914,59 3.659,60 3.419,61 4.93,62 3.382,63 4.343,64 4.48,65 3.841,66 3.754,67 5.707,68 3.716,69 4.551,70 5.2}
{0 CHEMBL1964937,1 1,2 3.199,3 14.444,4 3.974,5 17.412,6 1.705,7 16.047,8 1,9 1.719,10 3.939,11 4.125,12 2,13 0.908,14 120.633,15 3,16 3,17 9785,18 1,19 1.945,20 5.288,21 34.75,22 3,23 4.023,24 54.706,25 1.98,26 3.099,27 3.043,28 10.008,29 1.954,30 2.259,31 3,32 82.726,33 2.735,34 11.404,35 0.36,36 2.744,37 30.642,38 2.604,39 2.604,40 1.28,42 6.846,43 6.136,44 6.501,45 5.119,47 1.445,48 6.827,49 1.122,50 1.526,51 11.667,52 1.937,53 3.752,54 104.771,55 7.397,56 0.533,57 3.997,58 4.12,59 3.557,60 3.539,61 5.1,62 3.522,63 4.522,64 4.691,65 3.899,66 3.946,67 5.588,68 3.898,69 4.789,70 5.5}
{0 CHEMBL1964948,3 33.557,4 4.075,5 45.299,6 1.935,7 4.276,9 1.917,10 4.04,11 4.107,12 7,13 0.111,15 2,16 2,17 23555,18 1,19 1.947,20 5.467,21 48.75,22 3,23 4.046,24 60.71,25 2.003,26 3.406,27 3.335,28 13.951,29 1.93,30 2.573,31 3,32 115.501,33 3.091,34 17.782,35 0.672,36 3.237,37 45.116,38 5.067,39 5.067,40 1.58,42 7.687,43 6.625,44 6.994,45 5.505,47 1.47,48 7.339,49 0.815,50 1.455,51 14.462,52 5.226,53 27.314,54 156.109,55 6.841,56 0.524,57 4.409,58 4.548,59 3.9,60 3.924,61 5.471,62 3.886,63 4.949,64 5.156,65 4.266,66 4.319,67 5.958,68 4.263,69 5.195,70 5.3}
{0 CHEMBL1965131,3 14.937,4 3.948,5 17.631,6 1.528,7 2.104,9 1.542,10 3.925,11 4.104,12 4,13 1.039,14 96.7,15 3,16 3,17 5529,19 1.71,20 4.76,21 32.25,22 3,23 4.125,24 50.908,25 1.237,26 3.267,27 2.873,28 6.719,29 1.723,30 1.958,31 2,32 80.564,33 2.676,34 12.111,35 0.065,36 2.822,37 20.498,38 2.275,39 2.275,40 1.007,41 2,42 7.269,43 6.474,44 6.769,45 4.482,46 1,47 1.423,48 7.111,49 1.163,50 1.878,51 8.833,52 4.585,53 21.023,54 97.706,55 10.536,56 0.615,57 3.703,58 3.784,59 3.596,60 3.424,61 4.959,62 3.375,63 4.162,64 4.259,65 4.053,66 3.836,67 5.48,68 3.76,69 4.386,70 5.2}
{0 CHEMBL1965423,3 7.489,4 4.085,5 4.198,6 1.691,7 43.403,9 1.72,10 4.042,11 4.199,13 0.228,14 101.724,15 2,16 2,17 10126,18 2,19 1.911,20 5.012,21 40,22 2,23 4.104,24 69.654,25 2.778,26 3.168,27 3.162,28 9.704,29 1.899,30 2.389,32 91.636,33 2.735,34 13.317,35 0.469,36 2.764,37 23.171,38 4.226,39 4.226,40 1.282,41 2,42 8.616,43 7.062,44 7.635,45 4.957,47 1.45,48 8.149,49 0.64,50 1.612,51 10,52 5.764,53 33.223,54 115.15,55 8.276,56 0.758,57 4.016,58 4.134,59 3.725,60 3.633,61 5.145,62 3.597,63 4.534,64 4.695,65 4.146,66 4.038,67 5.637,68 3.994,69 4.742,70 5.2}
{0 CHEMBL1965495,2 2.916,3 5.75,4 3.868,5 3.815,6 1.342,7 2.757,8 1,9 1.37,10 3.828,11 4.125,12 2,13 -0.28,14 61.62,15 1,16 1,17 2437,18 1,19 1.737,20 4.352,21 28.25,22 4,23 4.03,24 81.171,25 1.561,26 2.687,27 2.636,28 4.13,29 1.766,30 1.5,31 2,32 54.569,33 2.194,34 7.613,35 0.041,36 2.256,37 9.545,38 0.873,39 0.873,40 1.028,41 1,42 7.434,43 6.438,44 6.886,45 4.246,47 1.465,48 7.272,49 0.901,50 1.432,51 5.889,52 2.199,53 4.834,54 67.892,55 8.367,56 0.8,57 3.457,58 3.571,59 3.138,60 3.099,61 4.715,62 3.088,63 3.904,64 4.053,65 3.471,66 3.466,67 5.045,68 3.44,69 4.067,70 5.8}
{0 CHEMBL1965507,3 24.83,4 3.981,5 34.91,6 1.629,7 18.375,9 1.662,10 3.947,11 4.07,12 2,13 2.452,14 140.252,15 5,16 5,17 13774,19 1.928,20 5.278,21 44.75,22 3,23 4.046,24 120.5,25 1.206,26 3.285,27 3.352,28 8.41,29 1.948,30 2.625,31 8,32 95.065,33 2.749,34 13.852,35 0.22,36 2.859,37 25.207,38 3.575,39 3.575,40 1.181,42 7.055,43 6.329,44 6.629,45 4.859,47 1.427,48 7.018,49 1.179,50 1.735,51 13.4,52 2.729,53 7.446,54 117.735,55 8.719,56 0.667,57 3.994,58 4.11,59 3.724,60 3.59,61 5.229,62 3.571,63 4.444,64 4.582,65 4.094,66 3.959,67 5.713,68 3.918,69 4.652,70 6.4}
{0 CHEMBL1965570,3 14.841,4 3.959,5 18.707,6 1.6,7 57.623,9 1.612,10 3.927,11 4.135,12 6,13 1.57,14 136.998,15 4,16 4,17 16020,19 1.93,20 5.411,21 47.75,22 5,23 4.136,24 85.704,25 1.909,26 3.367,27 3.416,28 11.182,29 1.926,30 2.685,31 4,32 102.128,33 2.735,34 14.131,35 0.29,36 2.839,37 30.382,38 3.575,39 3.575,40 1.277,41 1,42 8.168,43 6.816,44 7.309,45 4.953,47 1.444,48 7.808,49 1.115,50 1.747,51 13.313,52 4.373,53 19.121,54 123.635,55 9.072,56 0.75,57 4.031,58 4.127,59 3.797,60 3.67,61 5.282,62 3.656,63 4.484,64 4.591,65 4.17,66 4.064,67 5.751,68 4.028,69 4.698,70 5.5}
{0 CHEMBL1965589,3 15.053,4 3.977,5 17.95,6 1.661,7 46.347,9 1.662,10 3.932,11 4.162,12 1,13 0.276,14 116.951,15 2,16 2,17 11318,18 1,19 1.897,20 5.236,21 41.5,22 1,23 4.015,24 86.439,25 0.548,26 3.016,27 3.185,28 7.751,29 1.921,30 2.438,31 2,32 91.548,33 2.733,34 12.753,35 0.356,36 2.866,37 19.553,38 3.571,39 3.571,40 1.269,41 1,42 8.318,43 6.897,44 7.405,45 4.883,47 1.434,48 7.928,49 0.735,50 1.735,51 10.067,52 3.218,53 10.356,54 106.995,55 8.509,56 0.647,57 4.02,58 4.134,59 3.694,60 3.547,61 5.231,62 3.569,63 4.518,64 4.679,65 4.076,66 3.898,67 5.763,68 3.915,69 4.738,70 5.2}
{0 CHEMBL1965631,2 2.893,3 18.24,4 4.001,5 26.806,6 1.69,7 11.771,8 1,9 1.728,10 3.949,11 4.128,13 0.282,14 118.071,15 2,16 2,17 10537,18 2,19 1.886,20 5.012,21 38.25,22 3,23 4.017,24 89.441,25 1.614,26 3.102,27 2.944,28 5.922,29 1.898,30 2.123,31 2,32 85.679,33 2.735,34 12.484,35 0.469,36 2.752,37 22.913,38 3.174,39 3.174,40 1.377,42 7.791,43 6.485,44 6.994,45 4.857,47 1.452,48 7.47,49 0.909,50 1.567,51 12.214,52 2.788,53 7.774,54 109.563,55 7.663,56 0.677,57 4.008,58 4.146,59 3.607,60 3.514,61 5.155,62 3.509,63 4.508,64 4.699,65 3.939,66 3.893,67 5.587,68 3.872,69 4.683,70 5.2}
{0 CHEMBL1965660,1 1,2 3.109,3 9.189,4 3.876,5 6.774,6 1.547,7 7.413,8 1,9 1.574,10 3.843,11 4.078,12 6,13 2.761,15 5,16 5,17 4980,18 1,19 1.683,20 4.97,21 33.25,22 2,23 3.989,24 116.151,26 3.054,27 2.841,28 6.042,29 1.711,30 1.981,31 4,32 74.491,33 2.343,34 11.173,36 2.56,37 15.066,38 2.454,39 2.454,40 1.097,41 2,42 7.487,43 6.324,44 6.689,45 4.54,46 1,47 1.416,48 7.128,49 1.029,50 1.844,51 8.435,52 3.299,53 10.88,54 89.973,55 10.241,56 0.68,57 3.67,58 3.781,59 3.483,60 3.274,61 4.975,62 3.279,63 4.096,64 4.215,65 3.905,66 3.66,67 5.485,68 3.643,69 4.311,70 6.3}
{0 CHEMBL1965836,2 2.966,3 16.206,4 3.973,5 16.1,6 1.761,7 2.757,8 1,9 1.773,10 3.946,11 4.124,12 3,13 0.884,14 142.383,15 3,16 3,17 16036,18 1,19 1.865,20 5.435,21 41.5,22 4,23 4.034,24 83.009,25 1.926,26 3.296,27 3.307,28 10.376,29 1.872,30 2.581,31 3,32 97.207,33 2.793,34 12.57,35 0.249,36 2.838,37 28.326,38 4.15,39 4.15,40 1.231,41 1,42 7.516,43 6.452,44 6.887,45 5.076,47 1.408,48 7.316,49 1.049,50 1.746,51 13.625,52 5.332,53 28.431,54 114.669,55 8.349,56 0.629,57 4.095,58 4.205,59 3.739,60 3.607,61 5.3,62 3.624,63 4.632,64 4.773,65 4.182,66 3.982,67 6.281,68 3.986,69 4.789,70 6.2}
{0 CHEMBL1965845,1 1,2 3.218,3 19.002,4 3.978,5 23.993,6 1.72,7 16.047,8 1,9 1.726,10 3.947,11 4.126,12 1,13 0.212,14 126.423,15 2,16 2,17 10932,18 1,19 1.945,20 5.402,21 36,22 3,23 4.023,24 54.706,25 2.018,26 3.097,27 3.044,28 10.972,29 1.955,30 2.29,31 4,32 85.497,33 2.873,34 12.016,35 0.57,36 2.812,37 32.991,38 2.832,39 2.832,40 1.433,42 6.87,43 6.196,44 6.541,45 5.2,47 1.445,48 6.836,49 1.176,50 1.505,51 12.393,52 2.809,53 7.889,54 109.69,55 7.24,56 0.516,57 4.049,58 4.173,59 3.598,60 3.579,61 5.125,62 3.56,63 4.587,64 4.766,65 3.945,66 3.976,67 5.622,68 3.932,69 4.808,70 6}
{0 CHEMBL1965910,1 1,3 26.71,4 3.975,5 30.133,6 1.891,7 14.099,9 1.905,10 3.92,11 4.166,12 3,13 0.105,14 141.485,15 2,16 2,17 20018,18 1,19 1.987,20 5.323,21 44.25,22 4,23 4.053,24 71.492,25 1.877,26 3.262,27 3.191,28 16.535,29 1.977,30 2.305,31 1,32 106.772,33 2.941,34 15.306,35 0.825,36 2.952,37 44.881,38 4.066,39 4.066,40 1.52,42 7.979,43 6.701,44 7.174,45 5.537,47 1.452,48 7.639,49 0.987,50 1.397,51 13.514,52 5.249,53 27.548,54 141.865,55 6.877,56 0.55,57 4.315,58 4.445,59 3.835,60 3.872,61 5.295,62 3.836,63 4.896,64 5.08,65 4.2,66 4.308,67 5.8,68 4.242,69 5.195,70 5.7}
{0 CHEMBL1965988,3 22.195,4 3.968,5 27.362,6 1.699,7 53.182,9 1.698,10 3.934,11 4.117,12 9,13 3.179,14 137.754,15 6,16 6,17 14125,19 1.928,20 5.34,21 44.25,22 5,23 4.126,24 118.601,25 1.87,26 3.358,27 3.431,28 10.391,29 1.927,30 2.593,31 6,32 97.308,33 2.887,34 13.959,35 0.301,36 2.947,37 28.432,38 3.307,39 3.307,40 1.321,41 1,42 7.97,43 6.741,44 7.188,45 4.947,47 1.424,48 7.667,49 1.109,50 1.587,51 13.742,52 3.728,53 13.894,54 127.847,55 8.222,56 0.647,57 4.051,58 4.172,59 3.734,60 3.686,61 5.249,62 3.646,63 4.501,64 4.649,65 4.083,66 4.066,67 5.688,68 3.995,69 4.7,70 6}
{0 CHEMBL1966035,3 16.158,4 3.917,5 24.622,6 1.613,9 1.584,10 3.883,11 3.999,12 6,13 0.304,15 2,16 2,17 5028,19 1.831,20 4.649,21 31,22 1,23 3.901,24 50.357,26 2.687,27 2.709,28 6.1,29 1.847,30 1.717,32 66.459,33 2.591,34 9.397,35 0.216,36 2.542,37 15.696,38 2.136,39 2.136,40 1.109,42 6.979,43 5.812,44 6.237,45 4.531,47 1.436,48 6.606,49 1.025,50 1.565,51 9.227,52 1.722,53 2.965,54 84.781,55 7.928,56 0.5,57 3.722,58 3.824,59 3.332,60 3.294,61 4.961,62 3.288,63 4.135,64 4.285,65 3.617,66 3.583,67 5.329,68 3.564,69 4.343,70 5.2}
{0 CHEMBL1966069,2 2.936,3 14.706,4 4.118,5 20.475,6 1.604,7 16.059,8 1,9 1.662,10 4.07,11 4.14,13 -0.219,14 183.674,15 1,16 1,17 7667,18 3,19 1.76,20 5.114,21 36,22 1,23 4.009,24 103.286,25 3.877,26 2.862,27 3.034,28 4.184,29 1.781,30 2.301,31 2,32 75.112,33 2.507,34 10.745,35 0.178,36 2.564,37 12.621,38 2.731,39 2.731,40 1.105,41 2,42 7.786,43 6.639,44 7.129,45 4.427,47 1.479,48 7.591,49 0.942,50 1.53,51 10.208,52 3.056,53 9.337,54 92.942,55 8.788,56 0.893,57 3.772,58 3.902,59 3.501,60 3.31,61 4.987,62 3.333,63 4.238,64 4.39,65 3.857,66 3.701,67 5.376,68 3.717,69 4.391,70 5.3}
{0 CHEMBL1966087,3 11.026,4 3.891,5 15.849,6 1.698,9 1.695,10 3.844,11 3.965,12 1,13 -0.32,15 1,16 1,17 4403,19 1.751,20 4.831,21 27,22 2,23 3.871,24 51.582,26 2.687,27 2.5,28 5.264,29 1.726,30 1.5,31 1,32 61.71,33 2.497,34 8.366,35 0.078,36 2.559,37 13.741,38 1.408,39 1.408,40 0.997,42 6.539,43 5.426,44 5.812,45 4.366,47 1.371,48 6.141,49 0.881,50 1.473,51 9.4,52 1.011,53 1.022,54 78.953,55 7.226,56 0.545,57 3.708,58 3.83,59 3.262,60 3.258,61 4.777,62 3.234,63 4.225,64 4.398,65 3.539,66 3.61,67 5.229,68 3.562,69 4.459,70 5.2}
{0 CHEMBL1966279,3 19.367,4 4.028,5 18.535,6 1.88,9 1.861,10 4.019,11 4.095,12 1,13 2.336,15 5,16 5,17 17983,19 1.942,20 5.517,21 47,22 4,23 4.072,24 101.864,26 3.338,27 3.309,28 10.866,29 1.932,30 2.584,31 6,32 110.78,33 2.907,34 16.217,35 0.399,36 3.002,37 33.596,38 3.254,39 3.254,40 1.308,42 7.389,43 6.412,44 6.783,45 5.096,46 1,47 1.462,48 7.051,49 0.982,50 1.733,51 14.706,52 1.622,53 2.631,54 128.796,55 8.379,56 0.486,57 4.152,58 4.258,59 3.93,60 3.744,61 5.318,62 3.715,63 4.654,64 4.789,65 4.221,66 4.125,67 6.01,68 4.078,69 4.931,70 5.2}
{0 CHEMBL1966343,2 2.877,3 6.8,4 3.912,5 3.971,6 1.541,7 9.921,8 1,9 1.528,10 3.875,11 4.124,12 2,13 1.148,14 71.905,15 3,16 3,17 3289,18 1,19 1.645,20 4.515,21 24.5,22 2,23 4.017,24 85.82,25 1.822,26 2.535,27 2.587,28 4.462,29 1.7,30 1.622,31 3,32 57.345,33 2.347,34 8.62,35 0.12,36 2.468,37 14.763,38 1.487,39 1.487,40 1.085,41 2,42 7.354,43 6.212,44 6.685,45 4.41,47 1.493,48 7.128,49 0.835,50 1.549,51 8,52 3.188,53 10.161,54 75.911,55 7.324,56 0.714,57 3.673,58 3.806,59 3.231,60 3.19,61 4.809,62 3.173,63 4.168,64 4.345,65 3.584,66 3.581,67 5.198,68 3.544,69 4.361,70 6.1}
{0 CHEMBL1966425,3 27.559,4 4.049,5 40.91,6 1.857,7 4.836,9 1.857,10 4.033,11 4.103,12 4,13 0.162,14 288.95,15 2,16 2,17 17331,18 1,19 1.932,20 5.315,21 44.5,22 4,23 4.014,24 55.931,25 1.554,26 3.296,27 3.226,28 11.253,29 1.925,30 2.298,31 4,32 100.736,33 2.911,34 14.72,35 0.469,36 2.934,37 30.203,38 4.312,39 4.312,40 1.417,41 1,42 7.779,43 6.656,44 7.123,45 5.127,47 1.456,48 7.542,49 0.957,50 1.524,51 13.758,52 4.112,53 16.909,54 127.198,55 7.501,56 0.595,57 4.188,58 4.301,59 3.77,60 3.726,61 5.278,62 3.716,63 4.722,64 4.889,65 4.132,66 4.118,67 5.796,68 4.091,69 4.919,70 5.2}
{0 CHEMBL1966514,3 16.513,4 3.959,5 22.779,6 1.599,7 57.623,9 1.612,10 3.927,11 4.135,12 6,13 1.57,14 137.76,15 4,16 4,17 16136,19 1.93,20 5.411,21 47.75,22 5,23 4.136,24 85.704,25 1.92,26 3.376,27 3.436,28 11.197,29 1.926,30 2.761,31 5,32 102.027,33 2.735,34 14.131,35 0.29,36 2.841,37 30.371,38 4.382,39 4.382,40 1.276,41 1,42 8.163,43 6.827,44 7.305,45 4.952,47 1.442,48 7.811,49 1.113,50 1.747,51 13.344,52 4.373,53 19.121,54 123.635,55 9.072,56 0.75,57 4.031,58 4.127,59 3.797,60 3.67,61 5.282,62 3.656,63 4.484,64 4.591,65 4.17,66 4.064,67 5.76,68 4.028,69 4.697,70 5.6}
{0 CHEMBL1966524,1 1,2 3.294,3 8.592,4 4.087,5 7.94,6 1.866,7 16.019,8 1,9 1.859,10 4.075,11 4.134,12 3,13 0.857,14 245.443,15 3,16 3,17 13207,18 1,19 1.946,20 5.492,21 41.25,22 4,23 4.104,24 83.254,25 4.693,26 3.252,27 3.045,28 9.458,29 1.943,30 2.298,31 4,32 92.288,33 2.808,34 13.435,35 0.385,36 2.862,37 24.875,38 3.701,39 3.701,40 1.275,41 3,42 7.552,43 6.635,44 7.066,45 4.892,47 1.431,48 7.471,49 1.091,50 1.564,51 12.621,52 3.582,53 12.83,54 116.579,55 8.174,56 0.788,57 4.011,58 4.119,59 3.711,60 3.658,61 5.129,62 3.616,63 4.507,64 4.644,65 4.088,66 4.071,67 5.555,68 4.001,69 4.733,70 6.4}
{0 CHEMBL1966628,1 1,2 3.187,3 12.649,4 3.963,5 20,6 1.619,7 13.67,8 1,9 1.634,10 3.901,11 4.124,12 1,13 1.822,14 85.916,15 4,16 4,17 6149,18 1,19 1.895,20 4.915,21 30.25,22 2,23 4.013,24 118.05,25 1.942,26 2.866,27 2.898,28 6.381,29 1.915,30 1.979,31 6,32 70.225,33 2.593,34 10.104,35 0.282,36 2.684,37 22.316,38 2.429,39 2.429,40 1.179,42 7.36,43 6.26,44 6.727,45 4.842,47 1.435,48 7.171,49 0.899,50 1.439,51 10,52 1.862,53 3.467,54 90.848,55 7.173,56 0.615,57 3.875,58 4.021,59 3.42,60 3.398,61 4.924,62 3.379,63 4.419,64 4.607,65 3.778,66 3.822,67 5.41,68 3.766,69 4.72,70 7.3}
{0 CHEMBL1966703,2 2.96,3 19.011,4 3.882,5 24.686,6 1.668,7 20.045,8 1,9 1.683,10 3.849,11 4.104,12 7,13 0.255,14 67.466,15 2,16 2,17 5142,18 1,19 1.785,20 4.863,21 28.5,22 2,23 4.01,24 50.112,26 2.865,27 2.937,28 9.332,29 1.782,30 2.028,31 4,32 70.991,33 2.694,34 10.99,35 0.469,36 2.7,37 27.706,38 2.897,39 2.897,40 1.322,41 1,42 7.452,43 6.345,44 6.745,45 5.023,47 1.498,48 7.181,49 0.827,50 1.553,51 7.083,52 3.471,53 12.049,54 93.552,55 7.396,56 0.407,57 3.893,58 4.014,59 3.455,60 3.463,61 5.005,62 3.437,63 4.446,64 4.618,65 3.896,66 3.916,67 5.483,68 3.876,69 4.742,70 5.2}
{0 CHEMBL1966722,3 18.538,4 3.932,5 21.476,6 1.672,7 0.285,9 1.71,10 3.904,11 4.013,12 10,13 1.662,15 4,16 4,17 9500,19 1.926,20 4.524,21 37.75,22 2,23 3.947,24 53.787,26 3.302,27 3.007,28 9.897,29 1.905,30 2.136,31 4,32 89.438,33 2.735,34 12.798,35 0.218,36 2.687,37 27.248,38 2.275,39 2.275,40 1.181,42 6.128,43 5.688,44 6.001,45 4.928,46 1,47 1.413,48 6.17,49 0.979,50 1.74,51 11.214,52 4.272,53 18.253,54 114.116,55 8.955,56 0.6,57 3.926,58 4.032,59 3.635,60 3.553,61 5.139,62 3.52,63 4.373,64 4.49,65 4.029,66 3.916,67 5.612,68 3.868,69 4.686,70 5.3}
{0 CHEMBL1966808,3 15.889,4 3.921,5 20.315,6 1.399,7 5.634,9 1.423,10 3.885,11 4.111,12 2,13 -0.241,14 162.162,15 1,16 1,17 5682,18 1,19 1.838,20 4.725,21 32,22 3,23 4.057,24 70.021,26 2.919,27 2.795,28 5.17,29 1.87,30 1.876,31 2,32 74.78,33 2.482,34 11.094,35 0.111,36 2.614,37 15.94,38 2.62,39 2.62,40 1.147,41 1,42 7.867,43 6.57,44 7.048,45 4.497,47 1.473,48 7.498,49 1.352,50 1.733,51 8.391,52 2.887,53 8.333,54 86.049,55 8.984,56 0.593,57 3.753,58 3.858,59 3.545,60 3.387,61 4.864,62 3.362,63 4.298,64 4.442,65 3.993,66 3.832,67 5.41,68 3.781,69 4.507,70 5.2}
{0 CHEMBL1966816,3 17.805,4 3.949,5 25.064,6 1.496,7 21.564,9 1.529,10 3.909,11 4.077,12 2,13 0.391,15 2,16 2,17 6987,19 1.65,20 4.993,21 35.25,22 1,23 3.994,24 69.593,25 0.423,26 2.96,27 2.895,28 4.989,29 1.679,30 2.037,31 3,32 76.426,33 2.526,34 9.114,35 0.029,36 2.539,37 12.524,38 2.542,39 2.542,40 0.929,42 7.087,43 6.165,44 6.518,45 4.527,47 1.404,48 6.747,49 1.125,50 1.894,51 9.76,52 3.674,53 13.498,54 80.387,55 10.009,56 0.63,57 3.717,58 3.818,59 3.492,60 3.229,61 5.086,62 3.291,63 4.217,64 4.337,65 3.96,66 3.565,67 6.115,68 3.631,69 4.402,70 6}
{0 CHEMBL1967094,2 3.055,3 9.346,4 3.944,5 10.29,6 1.566,7 4.115,8 1,9 1.593,10 3.917,11 4.13,12 2,13 0.273,15 2,16 2,17 8032,18 1,19 1.723,20 4.824,21 35,22 3,23 4.095,24 51.337,25 1.795,26 3.118,27 2.892,28 7.177,29 1.732,30 2.041,31 3,32 82.419,33 2.735,34 12.026,35 0.218,36 2.687,37 18.16,38 2.487,39 2.487,40 1.181,41 2,42 7.534,43 6.457,44 6.87,45 4.546,47 1.425,48 7.164,49 1.033,50 1.727,51 11.48,52 4.752,53 22.585,54 102.768,55 9.433,56 0.75,57 3.789,58 3.884,59 3.607,60 3.494,61 4.959,62 3.445,63 4.259,64 4.374,65 4.016,66 3.891,67 5.427,68 3.817,69 4.458,70 5.8}
{0 CHEMBL1967116,3 20.473,4 3.977,5 26.718,6 1.776,7 30.892,9 1.8,10 3.939,11 4.139,12 6,13 1.543,14 142.688,15 4,16 4,17 17373,18 1,19 1.935,20 5.427,21 48.25,22 6,23 4.136,24 104.144,25 2.004,26 3.38,27 3.465,28 11.701,29 1.932,30 2.772,31 5,32 103.675,33 2.935,34 15.399,35 0.481,36 2.956,37 35.313,38 4.651,39 4.651,40 1.387,41 1,42 8.224,43 6.854,44 7.341,45 5.085,47 1.452,48 7.856,49 1.137,50 1.605,51 13.909,52 4.2,53 17.636,54 134.53,55 8.265,56 0.73,57 4.123,58 4.243,59 3.82,60 3.742,61 5.292,62 3.708,63 4.595,64 4.748,65 4.192,66 4.142,67 5.745,68 4.086,69 4.786,70 6.3}
{0 CHEMBL1967302,1 1,2 3.281,3 17.176,4 4.064,5 20.104,6 1.807,7 13.915,8 1,9 1.808,10 4.038,11 4.132,12 4,13 1.564,14 256.749,15 4,16 4,17 14372,18 1,19 1.899,20 5.547,21 42,22 5,23 4.049,24 84.479,25 2.31,26 3.247,27 3.132,28 9.979,29 1.898,30 2.319,31 7,32 91.055,33 2.808,34 13.427,35 0.389,36 2.811,37 26.614,38 3.821,39 3.821,40 1.285,41 1,42 7.288,43 6.458,44 6.87,45 5.024,47 1.474,48 7.218,49 1.042,50 1.505,51 13.233,52 2.569,53 6.599,54 115.32,55 7.663,56 0.647,57 4.068,58 4.184,59 3.665,60 3.652,61 5.188,62 3.637,63 4.582,64 4.727,65 4.031,66 4.066,67 5.662,68 4.029,69 4.84,70 5.6}
{0 CHEMBL1967531,3 14.885,4 3.946,5 20.83,6 1.557,7 18.375,9 1.592,10 3.91,11 4.092,12 5,13 1.735,14 112.001,15 4,16 4,17 9118,19 1.885,20 4.87,21 40,22 3,23 4.08,24 102.49,25 1.719,26 2.973,27 2.989,28 8.062,29 1.901,30 2.212,31 5,32 83.353,33 2.735,34 11.899,35 0.218,36 2.687,37 22.705,38 2.684,39 2.684,40 1.181,42 7.553,43 6.42,44 6.86,45 4.694,47 1.418,48 7.325,49 1.13,50 1.676,51 11.731,52 2.976,53 8.858,54 104.575,55 8.816,56 0.759,57 3.843,58 3.955,59 3.597,60 3.482,61 5.064,62 3.453,63 4.28,64 4.407,65 3.958,66 3.855,67 5.522,68 3.801,69 4.487,70 5.9}
{0 CHEMBL1967544,3 16.804,4 4.098,5 24.466,6 1.808,9 1.794,10 4.077,11 4.19,12 3,13 0.148,15 2,16 2,17 18522,19 1.975,20 5.572,21 53,22 6,23 4.17,24 71.111,25 3.615,26 3.337,27 3.118,28 16.307,29 1.972,30 2.427,32 115.877,33 3.193,34 17.266,35 0.573,36 3.225,37 46.237,38 4.069,39 4.069,40 1.521,42 8.324,43 6.993,44 7.486,45 5.432,47 1.471,48 7.909,49 1.253,50 1.587,51 12.333,52 3.511,53 12.326,54 145.007,55 7.9,56 0.7,57 4.242,58 4.351,59 3.986,60 3.859,61 5.336,62 3.814,63 4.762,64 4.923,65 4.307,66 4.262,67 5.961,68 4.204,69 5,70 5.2}
{0 CHEMBL1967560,3 45.066,4 3.974,5 77.376,6 1.793,7 8.503,9 1.764,10 3.932,11 4.038,12 2,13 0.201,15 2,16 2,17 23285,18 1,19 1.97,20 5.445,21 43.5,22 1,23 3.894,24 81.845,26 3.329,27 3.437,28 14.459,29 1.974,30 2.588,31 4,32 116.637,33 2.978,34 16.495,35 0.825,36 3.054,37 52.78,38 5.676,39 5.676,40 1.61,42 7.322,43 6.284,44 6.639,45 5.64,47 1.426,48 6.973,49 0.942,50 1.556,51 14.237,52 3.201,53 10.244,54 147.504,55 6.878,56 0.286,57 4.426,58 4.568,59 3.93,60 3.864,61 5.433,62 3.849,63 5.026,64 5.239,65 4.312,66 4.283,67 5.981,68 4.244,69 5.3,70 5.2}
{0 CHEMBL1967564,2 2.833,3 8.052,4 3.834,5 10.484,6 1.582,8 1,9 1.604,10 3.786,11 4.159,12 5,13 0.393,14 53.293,15 2,16 2,17 3190,18 1,19 1.701,20 4.779,21 26.25,22 2,23 4.057,24 68.122,25 3.379,26 2.892,27 2.615,28 3.863,29 1.715,30 1.672,31 3,32 57.953,33 2.236,34 8.167,36 2.266,37 13.159,38 1.071,39 1.071,40 0.973,42 7.838,43 6.541,44 7.068,45 4.313,47 1.452,48 7.543,49 0.87,50 1.571,51 8.316,52 2.361,53 5.573,54 69.818,55 7.707,56 0.714,57 3.614,58 3.743,59 3.215,60 3.163,61 4.754,62 3.153,63 4.113,64 4.284,65 3.563,66 3.534,67 5.236,68 3.499,69 4.324,70 5.2}
{0 CHEMBL1967720,3 24.903,4 3.992,5 35.532,6 1.918,7 45.852,9 1.92,10 3.947,11 4.145,12 6,13 3.025,14 169.53,15 6,16 6,17 24650,18 1,19 1.959,20 5.478,21 53,22 5,23 4.138,24 137.041,25 1.736,26 3.401,27 3.487,28 14.463,29 1.969,30 2.852,31 5,32 118.191,33 2.851,34 17.333,35 0.469,36 2.999,37 43.647,38 5.106,39 5.106,40 1.401,41 1,42 8.35,43 6.942,44 7.426,45 5.316,47 1.471,48 7.943,49 0.99,50 1.759,51 15.474,52 3.569,53 12.735,54 146.818,55 8.543,56 0.643,57 4.247,58 4.366,59 3.949,60 3.83,61 5.483,62 3.813,63 4.725,64 4.869,65 4.357,66 4.236,67 5.985,68 4.203,69 4.986,70 6.3}
{0 CHEMBL1967878,3 36.662,4 4.022,5 58.849,6 1.831,7 19.187,9 1.844,10 3.98,11 4.066,12 4,13 1.573,15 4,16 4,17 16999,18 1,19 1.922,20 5.445,21 38.75,22 1,23 3.968,24 108.738,26 3.143,27 3.302,28 12.371,29 1.916,30 2.42,31 5,32 99.993,33 2.941,34 14.529,35 0.643,36 2.954,37 41.658,38 4.921,39 4.921,40 1.532,42 7.067,43 6.047,44 6.34,45 5.435,46 2,47 1.457,48 6.715,49 1.02,50 1.582,51 13.424,52 3.131,53 9.8,54 130.054,55 7.168,56 0.324,57 4.249,58 4.391,59 3.784,60 3.738,61 5.304,62 3.723,63 4.834,64 5.032,65 4.187,66 4.188,67 5.857,68 4.147,69 5.133,70 7.9}
{0 CHEMBL1967887,2 2.99,3 7.63,4 3.887,5 7.082,6 1.73,7 2.757,8 1,9 1.733,10 3.85,11 4.121,12 2,13 1.103,14 74.537,15 3,16 3,17 3787,18 1,19 1.761,20 4.871,21 27.25,22 3,23 4.032,24 83.009,25 2.088,26 2.741,27 2.573,28 5.719,29 1.772,30 1.608,31 2,32 61.321,33 2.448,34 8.487,35 0.092,36 2.536,37 15.639,38 1.547,39 1.547,40 1.051,41 1,42 7.41,43 6.246,44 6.735,45 4.501,47 1.424,48 7.178,49 1.077,50 1.542,51 8.65,52 1.279,53 1.635,54 78.057,55 7.454,56 0.727,57 3.697,58 3.827,59 3.267,60 3.222,61 4.835,62 3.212,63 4.183,64 4.355,65 3.582,66 3.584,67 5.24,68 3.556,69 4.35,70 5.2}
{0 CHEMBL1968070,3 19.388,4 3.818,5 30.145,6 1.354,7 44.548,9 1.389,10 3.789,11 4.021,12 1,13 2.076,15 4,16 4,17 3174,18 1,19 1.52,20 4.736,21 29.5,22 2,23 3.912,24 102.245,26 2.799,27 2.744,28 4.644,29 1.568,30 1.764,31 5,32 63.695,33 2.097,34 9.462,36 2.353,37 13.162,38 0.861,39 0.861,40 0.68,42 7.066,43 5.996,44 6.397,45 4.424,46 1,47 1.449,48 6.701,49 0.964,50 1.928,51 6.95,52 1.132,53 1.281,54 74.208,55 10.346,56 0.545,57 3.512,58 3.62,59 3.328,60 3.063,61 4.866,62 3.102,63 3.944,64 4.05,65 3.751,66 3.441,67 5.398,68 3.469,69 4.241,70 5.2}
{0 CHEMBL1968127,3 14.469,4 3.924,5 21.18,6 1.736,7 43.158,9 1.734,10 3.86,11 4.17,12 1,13 -0.316,15 1,16 1,17 11293,18 1,19 1.908,20 4.926,21 39.25,22 1,23 3.997,24 72.778,25 0.449,26 3.154,27 3.021,28 9.893,29 1.92,30 2.113,31 1,32 90.746,33 2.735,34 13.323,35 0.469,36 2.721,37 27.827,38 3.97,39 3.97,40 1.417,41 1,42 8.11,43 6.732,44 7.253,45 5.092,47 1.441,48 7.667,49 0.521,50 1.605,51 11.5,52 4.53,53 20.519,54 115.058,55 7.428,56 0.636,57 4.112,58 4.242,59 3.681,60 3.593,61 5.226,62 3.589,63 4.65,64 4.85,65 4.064,66 3.99,67 5.727,68 3.972,69 4.845,70 5.2}
{0 CHEMBL1968151,3 10.18,4 3.869,5 14.401,6 1.33,7 16.047,9 1.347,10 3.836,11 4.074,12 2,13 -0.146,14 106.234,15 1,16 1,17 3326,18 1,19 1.517,20 4.393,21 29.5,22 2,23 3.98,24 70.021,26 2.687,27 2.58,28 2.889,29 1.499,30 1.606,31 2,32 63.34,33 2.193,34 9.108,36 2.385,37 6.947,38 2.107,39 2.107,40 0.808,42 7.502,43 6.311,44 6.751,45 3.968,47 1.449,48 7.172,49 0.995,50 1.843,51 7.158,52 1.504,53 2.261,54 68.741,55 10.358,56 0.727,57 3.466,58 3.559,59 3.372,60 3.104,61 4.72,62 3.103,63 3.925,64 4.035,65 3.776,66 3.484,67 5.224,68 3.474,69 4.035,70 5.2}
{0 CHEMBL1968245,1 1,2 3.272,3 8.957,4 3.981,5 7.515,6 1.854,7 56.136,8 1,9 1.852,10 3.952,11 4.129,12 4,13 0.857,14 130.82,15 3,16 3,17 12707,18 1,19 1.92,20 5.364,21 40.5,22 4,23 4.047,24 83.254,25 2.294,26 3.261,27 3.045,28 9.382,29 1.926,30 2.251,31 4,32 90.901,33 2.735,34 12.833,35 0.378,36 2.87,37 26.589,38 3.147,39 3.147,40 1.276,41 1,42 6.991,43 6.231,44 6.565,45 4.919,47 1.398,48 6.894,49 1.023,50 1.558,51 13.138,52 3.77,53 14.214,54 117.602,55 8.099,56 0.688,57 4.012,58 4.127,59 3.653,60 3.613,61 5.15,62 3.588,63 4.498,64 4.645,65 3.998,66 3.987,67 5.586,68 3.94,69 4.743,70 5.2}
{0 CHEMBL1968380,3 41.796,4 3.976,5 69.22,6 1.793,7 4.227,9 1.774,10 3.938,11 4.048,12 3,13 0.175,15 2,16 2,17 23285,18 1,19 1.976,20 5.474,21 43.25,22 1,23 3.903,24 78.966,26 3.332,27 3.437,28 15.761,29 1.976,30 2.588,31 4,32 116.099,33 2.978,34 16.495,35 0.825,36 3.054,37 54.847,38 5.676,39 5.676,40 1.61,42 7.322,43 6.284,44 6.639,45 5.683,47 1.43,48 6.973,49 0.975,50 1.525,51 14.237,52 3.655,53 13.36,54 148.213,55 6.776,56 0.286,57 4.432,58 4.57,59 3.921,60 3.892,61 5.424,62 3.869,63 5.038,64 5.248,65 4.303,66 4.321,67 5.967,68 4.272,69 5.327,70 5.2}
{0 CHEMBL1968406,3 24.231,4 3.976,5 29.077,6 1.721,7 7.962,9 1.718,10 3.942,11 4.142,12 8,13 1.598,14 175.95,15 4,16 4,17 13044,19 1.896,20 5.383,21 42.5,22 5,23 4.135,24 102.49,25 1.865,26 3.178,27 3.275,28 10.806,29 1.915,30 2.554,31 5,32 94.384,33 2.813,34 14.025,35 0.326,36 2.935,37 30.624,38 4.65,39 4.65,40 1.227,41 1,42 8.061,43 6.776,44 7.234,45 5.066,47 1.445,48 7.738,49 1.259,50 1.596,51 12.467,52 4.39,53 19.268,54 122.323,55 8.148,56 0.647,57 4.048,58 4.166,59 3.738,60 3.684,61 5.172,62 3.643,63 4.555,64 4.707,65 4.154,66 4.109,67 5.666,68 4.037,69 4.792,70 5.7}
{0 CHEMBL1968590,3 9.945,4 3.992,5 7.162,6 1.67,7 15.591,9 1.623,10 3.979,11 4.145,12 4,13 0.974,14 190.082,15 3,16 3,17 7741,19 1.764,20 5.118,21 36,22 4,23 4.154,24 84.479,25 4.097,26 3.109,27 3.156,28 9.123,29 1.781,30 2.422,31 2,32 86.287,33 2.755,34 12.811,35 0.215,36 2.799,37 22.374,38 3.18,39 3.18,40 1.169,41 2,42 8.319,43 6.878,44 7.414,45 4.692,47 1.425,48 7.968,49 1.146,50 1.709,51 10.462,52 2.873,53 8.252,54 110.681,55 9.06,56 0.69,57 3.856,58 3.957,59 3.678,60 3.558,61 5.034,62 3.49,63 4.324,64 4.462,65 4.091,66 3.956,67 5.485,68 3.866,69 4.464,70 5.2}
{0 CHEMBL1968705,2 2.991,3 29.259,4 4.08,5 41.877,6 1.869,7 4.472,8 1,9 1.852,10 4.044,11 4.136,12 1,13 0.731,14 158.523,15 3,16 3,17 27841,18 2,19 1.976,20 5.741,21 53.5,22 3,23 4.032,24 106.043,25 3.63,26 3.43,27 3.528,28 12.796,29 1.975,30 2.741,31 8,32 122.528,33 3.117,34 17.464,35 0.79,36 3.152,37 38.023,38 5.491,39 5.491,40 1.521,41 1,42 8.46,43 6.971,44 7.495,45 5.346,47 1.428,48 8.012,49 0.938,50 1.509,51 14.2,52 5.568,53 31.003,54 154.244,55 7.338,56 0.6,57 4.394,58 4.522,59 3.958,60 3.932,61 5.454,62 3.914,63 4.938,64 5.116,65 4.308,66 4.328,67 5.961,68 4.286,69 5.19,70 5.3}
{0 CHEMBL1968791,1 1,3 25.723,4 3.967,5 26.054,6 1.884,7 5.085,9 1.898,10 3.923,11 4.186,12 3,13 0.105,14 144.402,15 2,16 2,17 19782,18 1,19 1.988,20 5.37,21 44.25,22 4,23 4.075,24 71.492,25 1.901,26 3.313,27 3.363,28 15.353,29 1.978,30 2.421,31 1,32 106.237,33 2.869,34 15.521,35 0.842,36 2.933,37 41.784,38 4.487,39 4.487,40 1.671,41 1,42 8.031,43 6.779,44 7.248,45 5.456,47 1.439,48 7.722,49 0.951,50 1.397,51 13.429,52 4.812,53 23.157,54 142.236,55 6.877,56 0.55,57 4.315,58 4.445,59 3.835,60 3.872,61 5.299,62 3.836,63 4.881,64 5.069,65 4.182,66 4.283,67 5.788,68 4.218,69 5.131,70 5.8}
{0 CHEMBL1968850,3 16.564,4 3.798,5 26.849,6 1.228,7 44.548,9 1.233,10 3.765,11 4.003,13 0.526,15 2,16 2,17 2161,18 1,19 1.381,20 4.502,21 26,22 1,23 3.888,24 69.348,26 2.672,27 2.529,28 3.66,29 1.426,30 1.478,31 4,32 54.901,33 1.613,34 8.004,36 2.243,37 10.823,40 0.503,42 6.797,43 5.753,44 6.121,45 4.086,47 1.412,48 6.462,49 0.872,50 1.847,51 6.294,52 2.13,53 4.535,54 65.627,55 10.278,56 0.632,57 3.36,58 3.463,59 3.189,60 2.956,61 4.643,62 2.978,63 3.801,64 3.91,65 3.597,66 3.322,67 5.138,68 3.333,69 4.092,70 5.2}
{0 CHEMBL1968926,2 2.949,3 5.279,4 3.922,5 4.511,6 1.453,7 0.693,8 1,9 1.428,10 3.889,11 3.979,12 2,13 -0.249,15 1,16 1,17 3828,18 1,19 1.536,20 4.374,21 28.5,22 2,23 3.882,24 66.897,26 2.687,27 2.5,28 4.703,29 1.586,30 1.5,31 1,32 62.853,33 2.35,34 8.496,35 0.078,36 2.526,37 14.309,38 1.686,39 1.686,40 1.066,42 6.483,43 5.506,44 5.849,45 4.188,47 1.375,48 6.173,49 1.15,50 1.589,51 9.316,52 3.011,53 9.065,54 78.841,55 8.657,56 0.81,57 3.553,58 3.666,59 3.322,60 3.213,61 4.715,62 3.161,63 3.995,64 4.138,65 3.637,66 3.543,67 5.115,68 3.465,69 4.106,70 5.2}
{0 CHEMBL1969042,2 3.015,3 15.957,4 3.908,5 20.988,6 1.62,8 1,9 1.669,10 3.883,11 4.077,12 3,13 2.474,15 5,16 5,17 8457,18 2,19 1.945,20 4.76,21 40.75,22 3,23 3.983,24 51.337,26 2.833,27 3.239,28 7.059,29 1.939,30 2.52,31 10,32 81.633,33 2.735,34 11.98,35 0.218,36 2.687,37 19.402,38 2.339,39 2.339,40 1.181,42 7.737,43 6.411,44 6.859,45 4.8,47 1.449,48 7.33,49 0.976,50 1.568,51 9.852,52 4.612,53 21.268,54 102.468,55 8.168,56 0.767,57 3.916,58 4.015,59 3.543,60 3.491,61 5.182,62 3.493,63 4.33,64 4.443,65 3.898,66 3.867,67 5.58,68 3.851,69 4.603,70 5.3}
{0 CHEMBL1969049,3 15.446,4 3.953,5 19.526,6 1.702,9 1.692,10 3.927,11 4.03,12 1,13 -0.408,15 1,16 1,17 8214,19 1.858,20 5.121,21 35.75,22 5,23 3.97,24 34.796,26 3.002,27 2.869,28 11.017,29 1.859,30 1.987,31 3,32 78.079,33 2.735,34 11.004,35 0.273,36 2.687,37 28.264,38 2.584,39 2.584,40 1.248,42 6.795,43 5.964,44 6.338,45 5.056,47 1.443,48 6.511,49 1.177,50 1.414,51 11.538,52 3.837,53 14.72,54 103.05,55 7.218,56 0.643,57 3.941,58 4.055,59 3.482,60 3.529,61 5.067,62 3.494,63 4.438,64 4.606,65 3.798,66 3.886,67 5.51,68 3.832,69 4.644,70 5.2}
{0 CHEMBL1969102,2 2.842,3 17.311,4 3.973,5 24.218,6 1.635,7 30.892,8 1,9 1.674,10 3.937,11 4.136,12 7,13 2.345,14 137.76,15 5,16 5,17 16136,18 1,19 1.933,20 5.417,21 47.5,22 6,23 4.135,24 119.03,25 1.986,26 3.38,27 3.436,28 11.175,29 1.931,30 2.761,31 6,32 101.161,33 2.858,34 14.765,35 0.301,36 2.94,37 33.397,38 4.382,39 4.382,40 1.38,41 1,42 8.163,43 6.827,44 7.305,45 5.037,47 1.446,48 7.811,49 1.128,50 1.624,51 13.344,52 3.994,53 15.949,54 129.634,55 8.472,56 0.75,57 4.075,58 4.193,59 3.791,60 3.705,61 5.266,62 3.675,63 4.532,64 4.671,65 4.156,66 4.107,67 5.707,68 4.05,69 4.732,70 5.9}
{0 CHEMBL1969126,3 9.58,4 4.082,5 6.987,6 1.685,7 58.363,9 1.717,10 4.034,11 4.201,13 -0.707,14 94.582,17 9067,18 2,19 1.862,20 5.019,21 39,22 2,23 4.056,24 53.052,25 1.945,26 3.026,27 3.106,28 7.254,29 1.86,30 2.347,32 86.181,33 2.733,34 11.712,35 0.276,36 2.762,37 16.244,38 3.806,39 3.806,40 1.267,41 2,42 8.597,43 7.069,44 7.618,45 4.793,47 1.484,48 8.126,49 0.808,50 1.737,51 9.25,52 5.24,53 27.458,54 100.768,55 8.823,56 0.781,57 3.925,58 4.03,59 3.641,60 3.467,61 5.161,62 3.493,63 4.438,64 4.583,65 4.061,66 3.865,67 5.673,68 3.891,69 4.629,70 5.2}
{0 CHEMBL1969190,3 22.454,4 3.962,5 30.042,6 1.594,7 41.36,9 1.642,10 3.932,11 4.123,12 6,13 1.664,14 132.843,15 4,16 4,17 12802,19 1.88,20 5.029,21 43.25,22 3,23 4.032,24 88.515,25 1.067,26 3.071,27 3.232,28 8.199,29 1.887,30 2.481,31 5,32 92.532,33 2.735,34 12.067,35 0.218,36 2.821,37 21.684,38 4.131,39 4.131,40 1.181,41 1,42 7.689,43 6.622,44 7.006,45 4.902,47 1.436,48 7.443,49 1.144,50 1.806,51 12.6,52 3.882,53 15.072,54 107.307,55 8.922,56 0.667,57 3.978,58 4.077,59 3.675,60 3.497,61 5.297,62 3.532,63 4.434,64 4.553,65 4.049,66 3.861,67 5.798,68 3.889,69 4.65,70 5.7}
{0 CHEMBL1969264,1 1,2 3.286,3 9.101,4 3.95,5 18.192,6 1.676,7 2.144,8 1,9 1.691,10 3.923,11 4.229,12 1,13 0.255,14 128.9,15 2,16 2,17 6268,18 1,19 1.939,20 4.6,21 33.25,22 2,23 4.122,24 68.367,25 5.109,26 2.967,27 2.984,28 5.912,29 1.926,30 2.226,31 6,32 70.612,33 2.618,34 11.675,35 0.305,36 2.634,37 17.838,38 2.954,39 2.954,40 1.247,41 1,42 8.754,43 7.072,44 7.703,45 4.598,47 1.512,48 8.305,49 0.719,50 1.493,51 9.333,52 3.415,53 11.661,54 91.726,55 7.581,56 0.741,57 3.847,58 3.97,59 3.441,60 3.435,61 4.961,62 3.414,63 4.368,64 4.535,65 3.869,66 3.839,67 5.477,68 3.811,69 4.628,70 5.2}
{0 CHEMBL1969301,3 23.435,4 3.952,5 26.047,6 1.907,7 2.144,9 1.889,10 3.929,11 4.141,12 1,13 -0.392,14 150.222,15 1,16 1,17 16386,18 1,19 2.002,20 5.445,21 42.75,22 2,23 4.01,24 70.879,25 1.648,26 3.328,27 3.208,28 12.209,29 1.995,30 2.473,31 1,32 102.554,33 2.941,34 14.329,35 0.791,36 3.028,37 38.302,38 3.507,39 3.507,40 1.513,41 1,42 7.545,43 6.533,44 6.989,45 5.346,47 1.448,48 7.348,49 0.927,50 1.475,51 12.941,52 5.538,53 30.671,54 131.385,55 7.04,56 0.432,57 4.245,58 4.375,59 3.764,60 3.794,61 5.313,62 3.758,63 4.814,64 5.007,65 4.119,66 4.203,67 5.798,68 4.135,69 5.117,70 5.6}
{0 CHEMBL1969372,3 11,4 3.885,5 14.194,6 1.755,7 31.387,9 1.757,10 3.852,11 4.151,12 1,13 -0.272,14 104.661,15 1,16 1,17 8297,18 1,19 1.905,20 5.079,21 39.5,22 1,23 4.005,24 86.439,25 0.68,26 2.966,27 2.993,28 6.394,29 1.926,30 2.206,32 84.385,33 2.735,34 10.872,35 0.218,36 2.763,37 18.475,38 2.856,39 2.856,40 1.181,41 1,42 8.16,43 6.759,44 7.28,45 4.782,47 1.386,48 7.801,49 0.932,50 1.693,51 10.519,52 2.793,53 7.799,54 99.839,55 8.282,56 0.733,57 3.919,58 4.036,59 3.579,60 3.424,61 5.119,62 3.445,63 4.416,64 4.583,65 3.911,66 3.771,67 5.607,68 3.782,69 4.566,70 5.2}
{0 CHEMBL1969502,1 1,2 3.139,3 17.303,4 4.054,5 18.934,6 1.605,7 13.915,8 1,9 1.648,10 4.024,11 4.161,12 3,13 0.936,14 80.661,15 3,16 3,17 8819,18 1,19 1.741,20 5.154,21 36,22 4,23 4.073,24 69.348,25 1.613,26 3.052,27 3.071,28 7.6,29 1.759,30 2.22,31 7,32 79.192,33 2.662,34 11.759,35 0.254,36 2.687,37 20.824,38 2.889,39 2.889,40 1.189,41 1,42 7.633,43 6.551,44 6.993,45 4.804,46 1,47 1.498,48 7.372,49 1.102,50 1.572,51 10.385,52 2.309,53 5.332,54 97.898,55 8.2,56 0.533,57 3.881,58 3.993,59 3.538,60 3.488,61 5.041,62 3.484,63 4.366,64 4.5,65 3.878,66 3.879,67 5.52,68 3.849,69 4.646,70 5.4}
{0 CHEMBL1969506,3 27.998,4 4.049,5 40.052,6 1.892,7 8.907,9 1.885,10 4.06,11 4.133,12 4,13 1.605,14 160.073,15 4,16 4,17 19307,18 1,19 1.925,20 5.043,21 46,22 2,23 4.062,24 85.753,25 1.153,26 3.362,27 3.444,28 9.085,29 1.944,30 2.703,31 3,32 112.529,33 2.9,34 18.416,35 0.469,36 3.019,37 29.698,38 4.58,39 4.58,40 1.417,41 1,42 7.588,43 6.525,44 6.922,45 5.091,47 1.503,48 7.29,49 0.925,50 1.803,51 14.743,52 1.885,53 3.553,54 132.181,55 8.579,56 0.421,57 4.183,58 4.28,59 3.972,60 3.723,61 5.371,62 3.715,63 4.694,64 4.829,65 4.287,66 4.072,67 6.134,68 4.069,69 4.931,70 5.3}
{0 CHEMBL1969523,3 26.523,4 3.945,5 45.402,6 1.791,7 4.227,9 1.811,10 3.912,11 3.999,12 6,13 0.917,15 3,16 3,17 9554,18 1,19 1.921,20 4.92,21 35.5,22 1,23 3.881,24 85.153,26 3.002,27 3.173,28 8.479,29 1.92,30 2.245,31 2,32 82.123,33 2.618,34 13.057,35 0.469,36 2.764,37 27.482,38 3.25,39 3.25,40 1.417,42 7.234,43 6.066,44 6.433,45 5.03,47 1.446,48 6.852,49 0.814,50 1.54,51 11.143,52 4.072,53 16.584,54 110.919,55 7.161,56 0.4,57 4.053,58 4.18,59 3.57,60 3.559,61 5.205,62 3.537,63 4.533,64 4.73,65 3.924,66 3.894,67 5.628,68 3.858,69 4.764,70 6.6}
{0 CHEMBL1969537,3 8.037,4 3.872,5 4.228,6 1.482,7 1.358,9 1.514,10 3.829,11 4.285,13 0.557,14 109.966,15 2,17 3467,18 2,19 1.615,20 4.593,21 27.5,22 2,23 4.193,24 69.225,25 3.732,26 3.096,27 2.653,28 4.204,29 1.592,30 1.701,32 71.197,33 2.131,34 10.781,36 2.297,37 5.475,38 2.23,39 2.23,40 0.732,41 1,42 8.815,43 7.32,44 7.923,45 4.171,47 1.456,48 8.445,49 1.151,50 1.867,51 5.95,52 3.276,53 10.734,54 85.857,55 11.445,56 0.75,57 3.563,58 3.648,59 3.556,60 3.264,61 4.718,62 3.206,63 4.086,64 4.205,65 4.079,66 3.703,67 5.202,68 3.656,69 4.231,70 5.2}
{0 CHEMBL1969561,2 2.94,3 16.518,4 4.016,5 25.201,6 1.685,7 4.901,8 1,9 1.702,10 3.966,11 4.13,13 -0.323,14 113.497,15 1,16 1,17 9037,18 2,19 1.926,20 4.999,21 37.25,22 3,23 4.021,24 71.43,25 1.901,26 3.061,27 3.034,28 7.984,29 1.92,30 2.155,31 2,32 84.887,33 2.758,34 12.305,35 0.469,36 2.788,37 28.755,38 2.991,39 2.991,40 1.417,41 2,42 7.818,43 6.507,44 7.004,45 5.066,47 1.477,48 7.504,49 1.035,50 1.527,51 9.214,52 3.618,53 13.093,54 111.315,55 7.49,56 0.677,57 4.017,58 4.15,59 3.6,60 3.551,61 5.146,62 3.533,63 4.53,64 4.718,65 3.954,66 3.935,67 5.57,68 3.905,69 4.73,70 5.4}
{0 CHEMBL1969588,1 1,2 3.188,3 11.313,4 3.959,5 17.755,6 1.625,7 56.319,8 1,9 1.637,10 3.921,11 4.13,12 2,13 0.255,14 90.944,15 2,16 2,17 6872,18 1,19 1.911,20 5.029,21 36.25,22 4,23 4.032,24 68.367,25 1.924,26 3.047,27 2.933,28 7.145,29 1.92,30 2.127,31 4,32 75.703,33 2.666,34 10.878,35 0.218,36 2.687,37 20.624,38 2.561,39 2.561,40 1.159,42 7.538,43 6.385,44 6.832,45 4.655,47 1.419,48 7.288,49 1.004,50 1.508,51 10.042,52 4.205,53 17.682,54 98.906,55 8.585,56 0.815,57 3.784,58 3.898,59 3.483,60 3.423,61 4.923,62 3.4,63 4.255,64 4.399,65 3.851,66 3.802,67 5.39,68 3.758,69 4.468,70 6.8}
{0 CHEMBL1969664,1 1,2 2.941,3 16.484,4 3.934,5 18.276,6 1.627,7 2.144,8 1,9 1.659,10 3.886,11 4.15,12 2,13 0.273,14 101.386,15 2,16 2,17 7633,18 1,19 1.889,20 4.915,21 34.25,22 4,23 4.068,24 67.755,25 1.579,26 2.908,27 2.991,28 7.953,29 1.897,30 2.194,31 4,32 76.855,33 2.605,34 10.822,35 0.26,36 2.733,37 22.493,38 2.275,39 2.275,40 1.193,41 1,42 7.737,43 6.561,44 7.07,45 4.841,47 1.42,48 7.492,49 0.991,50 1.571,51 10.76,52 2.417,53 5.842,54 94.054,55 7.777,56 0.571,57 3.885,58 3.994,59 3.493,60 3.43,61 5.037,62 3.428,63 4.417,64 4.576,65 3.837,66 3.831,67 5.476,68 3.809,69 4.651,70 5.2}
{0 CHEMBL1969735,3 12.213,4 3.901,5 15.508,6 1.843,7 73.607,9 1.854,10 3.854,11 4.154,12 1,13 0.276,14 119.644,15 2,16 2,17 10686,18 1,19 1.97,20 5.054,21 41,22 1,23 4.011,24 86.439,25 0.475,26 3.148,27 3.182,28 8.256,29 1.966,30 2.435,31 2,32 93.722,33 2.735,34 13.331,35 0.425,36 2.767,37 24.019,38 3.398,39 3.398,40 1.333,41 1,42 8.273,43 6.845,44 7.36,45 4.935,46 1,47 1.408,48 7.887,49 0.569,50 1.76,51 10.733,52 4.172,53 17.405,54 114.578,55 8.538,56 0.667,57 4.033,58 4.15,59 3.708,60 3.567,61 5.225,62 3.568,63 4.543,64 4.711,65 4.118,66 3.959,67 5.727,68 3.948,69 4.789,70 5.2}
{0 CHEMBL1969755,3 10.264,4 3.952,5 9.598,6 1.757,7 14.96,9 1.751,10 3.919,11 4.018,12 5,13 0.213,15 2,16 2,17 8322,19 1.859,20 5.047,21 35.25,22 4,23 3.948,24 34.796,26 2.845,27 2.828,28 9.033,29 1.867,30 1.944,31 2,32 79.073,33 2.735,34 10.3,35 0.218,36 2.687,37 24.439,38 2.579,39 2.579,40 1.181,42 6.748,43 5.86,44 6.249,45 4.893,47 1.418,48 6.499,49 1.052,50 1.56,51 11.5,52 3.005,53 9.032,54 98.061,55 7.787,56 0.643,57 3.894,58 4.001,59 3.483,60 3.485,61 5.099,62 3.465,63 4.376,64 4.521,65 3.796,66 3.847,67 5.564,68 3.804,69 4.665,70 5.2}
{0 CHEMBL1969843,2 2.955,3 9.057,4 3.981,5 5.988,6 1.594,7 13.915,8 1,9 1.643,10 3.916,11 4.119,13 -0.244,14 81.465,15 1,16 1,17 5126,18 2,19 1.675,20 4.669,21 25.75,22 2,23 4.012,24 68.306,25 2.125,26 2.866,27 2.537,28 4.752,29 1.705,30 1.551,31 2,32 65.768,33 2.262,34 9.203,35 0.261,36 2.366,37 19.204,38 2.136,39 2.136,40 1.129,41 1,42 7.271,43 6.168,44 6.642,45 4.665,47 1.439,48 7.084,49 0.964,50 1.572,51 9.381,52 2.023,53 4.091,54 82.577,55 7.457,56 0.625,57 3.776,58 3.907,59 3.368,60 3.278,61 4.829,62 3.272,63 4.335,64 4.51,65 3.693,66 3.696,67 5.292,68 3.665,69 4.553,70 5.2}
{0 CHEMBL1969879,1 1,2 3.09,3 16.238,4 3.949,5 21.865,6 1.678,7 14.099,8 1,9 1.684,10 3.891,11 4.099,12 2,13 0.393,14 83.292,15 2,16 2,17 4433,18 1,19 1.705,20 5.019,21 25.5,22 1,23 3.951,24 56.605,25 1.784,26 2.914,27 2.56,28 9.451,29 1.724,30 1.522,31 2,32 67.524,33 2.522,34 9.409,35 0.588,36 2.607,37 32.615,38 2.222,39 2.222,40 1.416,42 6.276,43 5.825,44 6.156,45 5.19,47 1.422,48 6.456,49 1.068,50 1.602,51 7.955,52 0.854,53 0.73,54 84.36,55 7.056,56 0.417,57 3.867,58 4.005,59 3.383,60 3.298,61 4.937,62 3.293,63 4.441,64 4.649,65 3.746,66 3.718,67 5.431,68 3.685,69 4.699,70 5.2}
{0 CHEMBL1970074,2 2.975,3 18.603,4 3.982,5 25.872,6 1.751,7 7.033,8 1,9 1.771,10 3.949,11 4.135,12 6,13 0.9,14 136.543,15 3,16 3,17 13098,18 1,19 1.885,20 5.182,21 41.5,22 4,23 4.056,24 69.348,25 1.896,26 3.247,27 3.343,28 8.399,29 1.88,30 2.606,31 6,32 90.404,33 2.735,34 11.982,35 0.244,36 2.731,37 21.437,38 4.045,39 4.045,40 1.204,41 1,42 7.55,43 6.497,44 6.949,45 4.903,47 1.456,48 7.331,49 1.054,50 1.717,51 12.267,52 4.91,53 24.108,54 108.208,55 8.733,56 0.667,57 3.979,58 4.092,59 3.661,60 3.544,61 5.222,62 3.557,63 4.486,64 4.622,65 4.111,66 3.923,67 6.171,68 3.927,69 4.67,70 5.6}
{0 CHEMBL1970083,3 19.296,4 3.985,5 24.778,6 1.811,7 34.081,9 1.823,10 3.957,11 4.133,12 7,13 1.525,14 165.922,15 4,16 4,17 23312,19 1.975,20 5.334,21 53,22 6,23 4.137,24 102.49,25 1.774,26 3.433,27 3.44,28 12.433,29 1.972,30 2.845,31 4,32 116.509,33 2.896,34 15.119,35 0.218,36 3.017,37 31.455,38 4.627,39 4.627,40 1.192,41 1,42 8.246,43 6.919,44 7.395,45 5.1,47 1.43,48 7.866,49 1.108,50 1.842,51 14.919,52 5.061,53 25.61,54 134.938,55 9.695,56 0.683,57 4.133,58 4.231,59 3.932,60 3.751,61 5.436,62 3.755,63 4.621,64 4.735,65 4.377,66 4.142,67 6.312,68 4.135,69 4.823,70 6.6}
{0 CHEMBL1970104,2 6.478,3 6.063,4 4.043,5 5.882,6 1.727,7 4.901,8 2,9 1.748,10 4.007,11 4.179,12 6,13 0.259,14 154.479,15 2,16 2,17 5005,18 2,19 1.816,20 4.49,21 30,22 2,23 4.064,24 66.897,25 4.064,26 2.772,27 3.031,28 7.203,29 1.819,30 2.24,31 2,32 64.851,33 2.618,34 10.577,35 0.261,36 2.499,37 20.516,38 2.536,39 2.536,40 1.262,41 2,42 8.093,43 6.744,44 7.278,45 4.77,47 1.528,48 7.792,49 0.915,50 1.369,51 8.636,52 4.743,53 22.499,54 87.891,55 7.26,56 0.8,57 3.797,58 3.929,59 3.364,60 3.391,61 4.865,62 3.358,63 4.315,64 4.491,65 3.778,66 3.814,67 5.316,68 3.769,69 4.538,70 6}
{0 CHEMBL1970142,3 26.286,4 3.984,5 33.219,6 1.903,7 30.892,9 1.917,10 3.941,11 4.144,12 6,13 2.214,14 170.896,15 5,16 5,17 25094,18 1,19 1.944,20 5.495,21 53,22 6,23 4.137,24 122.155,25 1.844,26 3.409,27 3.514,28 14.385,29 1.95,30 2.826,31 5,32 118.844,33 3,34 17.286,35 0.619,36 3.052,37 44.102,38 5.171,39 5.171,40 1.533,41 1,42 8.33,43 6.922,44 7.424,45 5.329,47 1.447,48 7.926,49 1.077,50 1.643,51 16.553,52 3.85,53 14.824,54 151.902,55 8.088,56 0.643,57 4.28,58 4.404,59 3.946,60 3.864,61 5.451,62 3.834,63 4.768,64 4.93,65 4.321,66 4.261,67 5.917,68 4.209,69 4.987,70 5.2}
{0 CHEMBL1970189,2 2.854,3 14.014,4 3.862,5 15.265,6 1.367,7 7.571,8 1,9 1.403,10 3.826,11 4.061,12 7,13 1.152,14 69.679,15 3,16 3,17 3027,18 1,19 1.726,20 4.736,21 27.25,22 2,23 3.968,24 97.283,26 2.853,27 2.859,28 5.978,29 1.757,30 1.668,31 3,32 63.324,33 2.269,34 9.051,35 0.033,36 2.462,37 15.949,38 1.09,39 1.09,40 1.018,41 1,42 6.863,43 6.014,44 6.347,45 4.537,47 1.421,48 6.698,49 0.989,50 1.749,51 5.95,52 2.655,53 7.049,54 76.815,55 9.25,56 0.5,57 3.576,58 3.682,59 3.318,60 3.17,61 4.849,62 3.171,63 4.044,64 4.171,65 3.723,66 3.573,67 5.232,68 3.554,69 4.263,70 5.5}
{0 CHEMBL1970203,3 27.256,4 3.995,5 39.769,6 1.631,7 18.375,9 1.667,10 3.963,11 4.071,12 3,13 2.413,14 146.644,15 5,16 5,17 14937,19 1.928,20 5.015,21 45.25,22 4,23 4.046,24 120.5,25 1.207,26 3.288,27 3.363,28 8.935,29 1.95,30 2.641,31 8,32 97.428,33 2.825,34 14.497,35 0.306,36 2.904,37 26.396,38 4.629,39 4.629,40 1.283,42 7.068,43 6.385,44 6.638,45 4.937,47 1.434,48 7.037,49 1.129,50 1.711,51 13.516,52 3.215,53 10.336,54 122.776,55 8.481,56 0.647,57 4.046,58 4.165,59 3.752,60 3.637,61 5.261,62 3.613,63 4.508,64 4.657,65 4.129,66 4.011,67 5.747,68 3.966,69 4.706,70 5.6}
{0 CHEMBL1970217,3 15.446,4 3.954,5 19.526,6 1.694,9 1.682,10 3.928,11 4.025,12 1,13 -0.408,15 1,16 1,17 8382,19 1.871,20 5.121,21 35.75,22 5,23 3.962,24 34.796,26 2.988,27 2.859,28 10.723,29 1.87,30 2.003,31 3,32 78.079,33 2.735,34 10.992,35 0.281,36 2.687,37 27.798,38 2.639,39 2.639,40 1.26,42 6.784,43 5.945,44 6.321,45 5.036,47 1.443,48 6.538,49 1.15,50 1.414,51 11.654,52 3.837,53 14.72,54 103.05,55 7.218,56 0.643,57 3.941,58 4.055,59 3.482,60 3.529,61 5.067,62 3.494,63 4.438,64 4.606,65 3.798,66 3.886,67 5.508,68 3.832,69 4.644,70 5.2}
{0 CHEMBL1970314,3 5.987,4 3.896,5 4.851,6 1.451,9 1.461,10 3.862,11 4.107,12 5,13 1.879,15 4,16 4,17 3410,19 1.632,20 4.923,21 30.25,22 4,23 4.051,24 82.58,25 1.494,26 2.739,27 2.805,28 5.948,29 1.649,30 1.945,31 3,32 59.496,33 2.37,34 8.88,36 2.368,37 14.157,38 1.776,39 1.776,40 1.065,42 7.732,43 6.419,44 6.916,45 4.472,47 1.495,48 7.334,49 0.986,50 1.503,51 7.15,52 1.79,53 3.205,54 78.397,55 7.979,56 0.773,57 3.606,58 3.725,59 3.225,60 3.232,61 4.853,62 3.216,63 4.034,64 4.164,65 3.577,66 3.611,67 5.298,68 3.574,69 4.284,70 5.2}
{0 CHEMBL1970317,3 19.675,4 3.97,5 25.279,6 1.776,7 45.852,9 1.8,10 3.929,11 4.139,12 5,13 1.573,14 142.688,15 4,16 4,17 17373,18 1,19 1.932,20 5.417,21 48.5,22 5,23 4.136,24 104.144,25 1.938,26 3.376,27 3.465,28 11.152,29 1.929,30 2.772,31 5,32 104.541,33 2.775,34 14.765,35 0.308,36 2.861,37 32.526,38 4.651,39 4.651,40 1.278,41 1,42 8.224,43 6.854,44 7.341,45 5.016,47 1.441,48 7.856,49 1.148,50 1.734,51 13.909,52 3.919,53 15.357,54 129.706,55 8.818,56 0.73,57 4.084,58 4.197,59 3.827,60 3.698,61 5.312,62 3.68,63 4.548,64 4.687,65 4.205,66 4.094,67 5.795,68 4.057,69 4.753,70 5.3}
{0 CHEMBL1970340,3 5.319,4 3.851,5 3.663,6 1.181,7 7.164,9 1.214,10 3.83,11 4.114,12 2,13 1.193,14 56.259,15 3,16 3,17 2198,19 1.56,20 4.681,21 25.75,22 3,23 4.027,24 52.494,25 1.418,26 2.606,27 2.6,28 4.171,29 1.621,30 1.648,31 3,32 51.753,33 1.771,34 7.519,36 2.085,37 10.091,38 -0.833,39 -0.833,40 0.828,41 1,42 7.254,43 6.211,44 6.667,45 4.175,47 1.488,48 7.066,49 1.075,50 1.595,51 5.882,52 2.527,53 6.388,54 65.672,55 8.38,56 0.842,57 3.451,58 3.544,59 3.111,60 3.033,61 4.737,62 3.041,63 3.858,64 3.962,65 3.464,66 3.406,67 5.101,68 3.4,69 4.073,70 5.2}
{0 CHEMBL1970369,2 2.883,3 10.86,4 3.969,5 11.437,6 1.595,7 7.593,8 1,9 1.648,10 3.924,11 4.119,12 1,13 1.045,14 103.755,15 3,16 3,17 7634,18 1,19 1.647,20 5.154,21 31.75,22 2,23 4.014,24 88.944,25 1.868,26 3.016,27 2.897,28 6.499,29 1.683,30 1.972,31 3,32 77.02,33 2.591,34 11.147,35 0.246,36 2.68,37 21.761,38 2.388,39 2.388,40 1.229,41 2,42 7.427,43 6.297,44 6.73,45 4.784,47 1.507,48 7.172,49 0.906,50 1.694,51 10.24,52 1.19,53 1.415,54 90.581,55 8.081,56 0.536,57 3.881,58 3.998,59 3.513,60 3.383,61 5.072,62 3.396,63 4.407,64 4.563,65 3.885,66 3.802,67 5.565,68 3.793,69 4.672,70 5.2}
{0 CHEMBL1970522,3 14.539,4 3.914,5 15.157,6 1.524,7 0.693,9 1.518,10 3.887,11 3.971,12 2,13 0.321,15 2,16 2,17 5884,19 1.613,20 4.865,21 32.5,22 1,23 3.908,24 34.796,26 2.941,27 2.814,28 7.26,29 1.653,30 1.927,31 2,32 74.082,33 2.618,34 10.544,35 0.159,36 2.687,37 19.781,38 2.136,39 2.136,40 1.098,42 6.838,43 5.83,44 6.21,45 4.437,47 1.38,48 6.558,49 0.922,50 1.708,51 10.087,52 3.496,53 12.219,54 91.11,55 8.822,56 0.48,57 3.732,58 3.814,59 3.483,60 3.353,61 4.974,62 3.326,63 4.172,64 4.283,65 3.866,66 3.692,67 5.42,68 3.649,69 4.333,70 5.2}
{0 CHEMBL1970709,2 2.869,3 13.592,4 3.946,5 17.987,6 1.581,7 6.42,8 1,9 1.619,10 3.917,11 4.097,12 3,13 1.109,14 90.794,15 3,16 3,17 5070,18 1,19 1.652,20 4.793,21 29.25,22 2,23 3.987,24 115.302,25 1.9,26 2.855,27 2.588,28 5.039,29 1.694,30 1.628,31 5,32 71.986,33 2.37,34 9.991,35 0.029,36 2.687,37 14.723,38 1.598,39 1.598,40 1.073,41 1,42 6.097,43 5.861,44 6.154,45 4.361,47 1.397,48 6.479,49 1.011,50 1.714,51 10.238,52 2.922,53 8.538,54 84.964,55 10.154,56 0.696,57 3.651,58 3.771,59 3.481,60 3.252,61 4.828,62 3.233,63 4.111,64 4.255,65 3.879,66 3.635,67 5.309,68 3.582,69 4.324,70 5.2}
{0 CHEMBL1970735,3 15.702,4 3.661,5 22.096,6 1.319,7 7.143,9 1.32,10 3.595,11 3.937,12 3,13 1.309,15 3,16 3,17 1851,19 1.7,20 4.454,21 22.75,22 1,23 3.801,24 98.753,26 2.694,27 1.594,28 3.045,29 1.706,30 0.282,31 4,32 51.418,33 2.113,34 6.919,36 2.219,37 12.233,38 -0.897,39 -0.897,40 0.839,42 4.427,43 5.358,44 5.385,45 4.228,46 1,47 1.34,48 5.482,49 0.882,50 1.685,51 7.059,52 0.866,53 0.751,54 63.784,55 7.558,56 0.353,57 3.514,58 3.646,59 3.055,60 2.945,61 4.781,62 2.954,63 3.988,64 4.178,65 3.348,66 3.227,67 5.199,68 3.213,69 4.168,70 5.2}
{0 CHEMBL1970806,3 15.889,4 3.921,5 20.315,6 1.407,7 5.634,9 1.432,10 3.884,11 4.111,12 1,13 -0.241,14 162.162,15 1,16 1,17 5682,18 1,19 1.838,20 4.948,21 32,22 3,23 4.057,24 70.021,26 2.922,27 2.795,28 5.045,29 1.871,30 1.876,31 2,32 74.78,33 2.498,34 11.094,35 0.031,36 2.604,37 15.084,38 2.62,39 2.62,40 1.008,41 1,42 7.867,43 6.57,44 7.048,45 4.458,47 1.473,48 7.498,49 1.288,50 1.733,51 8.391,52 2.887,53 8.333,54 86.049,55 8.984,56 0.593,57 3.753,58 3.858,59 3.545,60 3.387,61 4.864,62 3.362,63 4.298,64 4.442,65 3.993,66 3.832,67 5.409,68 3.781,69 4.507,70 5.2}
{0 CHEMBL1970879,1 1,3 35.77,4 4.154,5 42.239,6 1.97,7 7.229,9 1.986,10 4.115,11 4.174,12 6,13 0.712,14 424.832,15 3,16 3,17 42662,18 2,19 2.022,20 5.747,21 58.25,22 3,23 4.063,24 111.066,25 3.409,26 3.46,27 3.721,28 20.379,29 2.021,30 3.06,31 2,32 140.494,33 3.063,34 20.488,35 0.825,36 3.216,37 64.02,38 5.666,39 5.666,40 1.665,41 2,42 8.307,43 7.106,44 7.556,45 5.867,47 1.473,48 8.016,49 1.159,50 1.558,51 17.304,52 3.775,53 14.253,54 177.706,55 7.316,56 0.5,57 4.553,58 4.684,59 4.114,60 4.052,61 5.618,62 4.042,63 5.127,64 5.317,65 4.51,66 4.481,67 6.135,68 4.453,69 5.399,70 5.2}
{0 CHEMBL1970903,1 1,2 6.316,3 11.017,4 4.14,5 9.41,6 1.826,7 16.672,8 2,9 1.825,10 4.104,11 4.144,12 4,13 1.564,14 255.999,15 4,16 4,17 14270,18 2,19 1.905,20 5.525,21 41.75,22 5,23 4.058,24 99.794,25 4.406,26 3.244,27 3.141,28 10.186,29 1.907,30 2.319,31 6,32 91.078,33 2.821,34 13.308,35 0.389,36 2.852,37 27.045,38 3.709,39 3.709,40 1.286,41 2,42 7.636,43 6.668,44 7.117,45 5.047,47 1.468,48 7.522,49 1.036,50 1.47,51 12.733,52 3.506,53 12.29,54 118.181,55 7.5,56 0.765,57 4.084,58 4.209,59 3.668,60 3.66,61 5.193,62 3.641,63 4.588,64 4.746,65 4.023,66 4.064,67 5.621,68 4.026,69 4.818,70 6.4}
{0 CHEMBL1970913,3 14.557,4 3.851,5 19.474,6 1.658,7 2.328,9 1.653,10 3.81,11 4.178,12 3,13 -0.284,14 67.681,15 1,16 1,17 4850,18 1,19 1.856,20 4.979,21 30.25,22 2,23 4.067,24 53.236,25 2.878,26 2.952,27 2.867,28 5.244,29 1.856,30 2.028,31 2,32 69.724,33 2.596,34 9.778,35 0.224,36 2.681,37 17.549,38 1.79,39 1.79,40 1.174,42 8.156,43 6.78,44 7.323,45 4.608,47 1.455,48 7.813,49 0.78,50 1.588,51 8.435,52 3.159,53 9.979,54 86.763,55 7.57,56 0.6,57 3.812,58 3.936,59 3.392,60 3.346,61 4.947,62 3.332,63 4.336,64 4.515,65 3.759,66 3.71,67 5.457,68 3.677,69 4.564,70 5.2}
{0 CHEMBL1971017,3 4.452,4 3.859,5 3.014,6 1.243,7 17.064,9 1.228,10 3.838,11 4.105,12 1,13 0.393,14 66.818,15 2,16 2,17 2990,19 1.68,20 4.736,21 27.25,22 3,23 4.111,24 49.683,25 1.718,26 2.796,27 2.626,28 4.957,29 1.696,30 1.686,32 61.202,33 2.074,34 8.535,36 2.239,37 10.832,38 1.292,39 1.292,40 0.92,41 2,42 7.488,43 6.405,44 6.83,45 4.196,47 1.452,48 7.261,49 1.091,50 1.813,51 7.105,52 2.559,53 6.547,54 72.996,55 9.726,56 0.762,57 3.472,58 3.556,59 3.316,60 3.182,61 4.775,62 3.146,63 3.908,64 4.005,65 3.728,66 3.578,67 5.287,68 3.518,69 4.104,70 5.5}
{0 CHEMBL1971021,3 28.774,4 3.981,5 43.022,6 1.63,7 4.276,9 1.659,10 3.95,11 4.079,12 8,13 0.853,14 138.647,15 3,16 3,17 13820,19 1.876,20 5.118,21 42.25,22 7,23 4.018,24 54.032,26 3.244,27 3.232,28 10.401,29 1.876,30 2.481,31 6,32 95.355,33 2.918,34 13.157,35 0.34,36 2.941,37 27.121,38 4.62,39 4.62,40 1.286,42 7.406,43 6.427,44 6.78,45 5.107,47 1.475,48 7.13,49 1.088,50 1.701,51 11.813,52 4.918,53 24.183,54 115.715,55 8.451,56 0.514,57 4.065,58 4.175,59 3.717,60 3.632,61 5.281,62 3.637,63 4.6,64 4.746,65 4.183,66 4.032,67 6.237,68 4.025,69 4.791,70 5.2}
{0 CHEMBL1971029,3 35.803,4 4.009,5 56.529,6 1.837,7 4.227,9 1.846,10 3.981,11 4.089,12 2,13 0.889,15 3,16 3,17 20636,18 2,19 1.931,20 5.464,21 49.5,23 4.065,24 138.2,26 3.608,27 3.478,28 14.593,29 1.943,30 2.786,31 2,32 128.906,33 2.941,34 18.399,35 0.708,36 3.033,37 48.126,38 4.038,39 4.038,40 1.563,42 7.346,43 6.296,44 6.651,45 5.454,46 2,47 1.387,48 6.978,49 1.061,50 1.833,51 13.973,52 3.428,53 11.753,54 145.845,55 9.086,56 0.45,57 4.284,58 4.397,59 4.118,60 3.804,61 5.38,62 3.779,63 4.828,64 5.002,65 4.464,66 4.18,67 6.076,68 4.141,69 5.047,70 7.5}
{0 CHEMBL1971141,3 16.973,4 3.954,5 24.07,6 1.57,7 4.276,9 1.604,10 3.922,11 4.025,12 7,13 1.659,15 4,16 4,17 8714,19 1.89,20 5.164,21 37.75,22 4,23 3.97,24 68.919,26 2.966,27 3.069,28 7.733,29 1.889,30 2.251,31 5,32 77.308,33 2.735,34 11.426,35 0.238,36 2.687,37 21.959,38 2.585,39 2.585,40 1.181,42 6.895,43 5.984,44 6.328,45 4.812,47 1.464,48 6.638,49 1.102,50 1.498,51 11.846,52 3.53,53 12.459,54 101.249,55 7.676,56 0.643,57 3.891,58 4.011,59 3.47,60 3.487,61 5.097,62 3.465,63 4.34,64 4.485,65 3.806,66 3.849,67 5.596,68 3.799,69 4.594,70 5.2}
{0 CHEMBL1971149,3 17.322,4 3.901,5 21.88,6 1.847,7 46.347,9 1.857,10 3.866,11 4.161,12 1,13 0.27,14 128.86,15 2,16 2,17 12438,18 1,19 1.96,20 5.234,21 43.75,22 1,23 4.015,24 86.439,25 0.501,26 3.033,27 3.189,28 8.907,29 1.964,30 2.441,31 2,32 96.62,33 2.733,34 13.586,35 0.469,36 2.869,37 24.543,38 3.574,39 3.574,40 1.409,41 1,42 8.322,43 6.9,44 7.408,45 5.029,46 1,47 1.453,48 7.932,49 0.643,50 1.776,51 10.875,52 3.995,53 15.962,54 113.463,55 8.432,56 0.629,57 4.076,58 4.19,59 3.731,60 3.582,61 5.339,62 3.603,63 4.582,64 4.748,65 4.146,66 3.968,67 5.9,68 3.984,69 4.83,70 5.2}
{0 CHEMBL1971186,3 17.439,4 3.943,5 30.662,6 1.67,7 43.158,9 1.708,10 3.876,11 4.17,12 1,13 0.282,15 2,16 2,17 10046,18 1,19 1.901,20 4.959,21 38.5,22 1,23 3.997,24 87.665,25 0.459,26 2.996,27 2.904,28 6.875,29 1.915,30 2.097,31 4,32 87.147,33 2.735,34 11.762,35 0.32,36 2.728,37 21.906,38 3.027,39 3.027,40 1.348,41 1,42 8.123,43 6.743,44 7.264,45 4.887,46 1,47 1.425,48 7.684,49 0.857,50 1.668,51 10.607,52 3.052,53 9.313,54 103.571,55 8.052,56 0.656,57 3.996,58 4.117,59 3.639,60 3.506,61 5.122,62 3.521,63 4.535,64 4.702,65 4.016,66 3.911,67 5.665,68 3.902,69 4.774,70 5.2}
{0 CHEMBL1971245,3 24.418,4 4.016,5 40.887,6 1.857,7 16.427,9 1.859,10 3.967,11 4.147,12 2,13 0.884,14 129.411,15 3,16 3,17 14955,18 2,19 1.935,20 5.33,21 45.25,23 3.995,24 108.8,25 0.629,26 3.077,27 3.267,28 10.243,29 1.946,30 2.357,31 2,32 97.837,33 2.873,34 14.27,35 0.486,36 2.904,37 32.107,38 3.817,39 3.817,40 1.513,41 1,42 7.9,43 6.722,44 7.162,45 5.218,47 1.435,48 7.624,49 1.081,50 1.556,51 12.531,52 3.213,53 10.325,54 122.951,55 7.653,56 0.611,57 4.147,58 4.283,59 3.747,60 3.648,61 5.268,62 3.65,63 4.671,64 4.861,65 4.117,66 4.04,67 5.782,68 4.026,69 4.905,70 5.3}
{0 CHEMBL1971430,3 18.954,4 3.957,5 20.542,6 1.854,7 1.899,9 1.862,10 3.923,11 4.041,12 5,13 0.791,15 3,16 3,17 13751,19 1.947,20 5.349,21 42.75,22 4,23 3.963,24 87.603,26 3.089,27 3.242,28 11.601,29 1.939,30 2.349,31 1,32 96,33 2.887,34 13.807,35 0.55,36 2.912,37 32.653,38 3.036,39 3.036,40 1.418,42 7.336,43 6.296,44 6.689,45 5.218,47 1.439,48 7.047,49 0.876,50 1.439,51 11.844,52 3.316,53 10.998,54 127.827,55 7.213,56 0.514,57 4.156,58 4.287,59 3.697,60 3.727,61 5.268,62 3.694,63 4.66,64 4.842,65 4.033,66 4.11,67 5.704,68 4.052,69 4.917,70 5.2}
{0 CHEMBL1971649,3 17.267,4 3.976,5 22.095,6 1.601,7 19.236,9 1.628,10 3.943,11 4.09,12 4,13 1.629,15 4,16 4,17 12090,19 1.945,20 5.241,21 43.75,22 3,23 4.012,24 102.49,25 1.374,26 3.041,27 3.268,28 8.106,29 1.945,30 2.559,31 4,32 87.505,33 2.752,34 12.304,35 0.218,36 2.785,37 23.186,38 3.604,39 3.604,40 1.281,42 7.774,43 6.518,44 6.938,45 4.921,47 1.445,48 7.373,49 1.128,50 1.623,51 12.552,52 3.451,53 11.907,54 108.978,55 8.244,56 0.719,57 3.966,58 4.086,59 3.61,60 3.546,61 5.209,62 3.546,63 4.422,64 4.568,65 3.976,66 3.916,67 5.677,68 3.899,69 4.671,70 5.2}
{0 CHEMBL1971694,3 16.976,4 3.871,5 27.733,6 1.527,7 19.616,9 1.489,10 3.846,11 3.997,12 3,13 0.497,15 2,16 2,17 3159,18 1,19 1.644,20 4.536,21 25,23 3.895,24 65.974,26 2.708,27 2.5,28 4.939,29 1.646,30 1.5,31 3,32 65.207,33 2.231,34 8.121,35 0.173,36 2.333,37 17.94,38 0.363,39 0.363,40 0.928,42 6.23,43 5.269,44 5.582,45 4.401,47 1.371,48 5.93,49 0.876,50 1.863,51 9,52 3.052,53 9.315,54 77.64,55 8.305,56 0.55,57 3.631,58 3.752,59 3.423,60 3.149,61 4.754,62 3.121,63 4.133,64 4.319,65 3.616,66 3.463,67 5.392,68 3.407,69 4.328,70 5.2}
{0 CHEMBL1971801,3 14.962,4 3.799,5 26.208,6 1.257,7 2.328,9 1.26,10 3.759,11 4.001,13 0.512,15 2,16 2,17 1856,18 1,19 1.39,20 4.502,21 25.25,22 1,23 3.886,24 69.348,26 2.537,27 2.529,28 3.373,29 1.435,30 1.478,31 4,32 49.408,33 1.524,34 6.962,36 1.768,37 10.082,38 -0.281,39 -0.281,40 0.61,42 6.692,43 5.656,44 6.024,45 4.089,47 1.443,48 6.366,49 1.014,50 1.666,51 5.75,52 1.256,53 1.577,54 59.761,55 8.843,56 0.667,57 3.349,58 3.465,59 3.063,60 2.91,61 4.612,62 2.935,63 3.785,64 3.912,65 3.41,66 3.271,67 5.054,68 3.279,69 4.075,70 5.2}
{0 CHEMBL1971943,1 1,2 2.967,3 23.916,4 3.981,5 38.556,6 1.767,7 88.139,8 1,9 1.763,10 3.944,11 4.117,12 2,13 1.768,14 118.608,15 4,16 4,17 10024,18 2,19 1.843,20 4.998,21 41,22 2,23 3.998,24 118.05,25 1.21,26 3.065,27 3.232,28 7.071,29 1.871,30 2.481,31 5,32 88.557,33 2.73,34 12.133,35 0.072,36 2.913,37 19.21,38 4.963,39 4.963,40 1.055,42 7.53,43 6.472,44 6.795,45 4.703,46 1,47 1.387,48 7.262,49 1.042,50 1.926,51 10.464,52 4.448,53 19.786,54 102.632,55 9.825,56 0.71,57 3.88,58 3.988,59 3.657,60 3.402,61 5.194,62 3.444,63 4.339,64 4.472,65 4.081,66 3.761,67 5.725,68 3.801,69 4.544,70 5.6}
{0 CHEMBL1971947,3 21.7,4 3.968,5 25.957,6 1.891,7 53.182,9 1.896,10 3.934,11 4.121,12 7,13 1.463,14 155.504,15 4,16 4,17 21094,19 1.968,20 5.544,21 53,22 6,23 4.129,24 102.49,25 1.87,26 3.382,27 3.466,28 10.768,29 1.964,30 2.774,31 5,32 109.56,33 2.984,34 15.898,35 0.301,36 2.972,37 28.249,38 4.59,39 4.59,40 1.346,41 1,42 8.351,43 6.901,44 7.398,45 4.973,47 1.434,48 7.928,49 1.074,50 1.549,51 15.257,52 4.989,53 24.894,54 142.353,55 8.493,56 0.718,57 4.132,58 4.24,59 3.85,60 3.802,61 5.34,62 3.766,63 4.578,64 4.712,65 4.2,66 4.181,67 5.772,68 4.119,69 4.788,70 5.2}
{0 CHEMBL1972119,3 26.632,4 3.977,5 39.846,6 1.664,7 8.932,9 1.69,10 3.928,11 4.092,12 3,13 0.309,15 2,16 2,17 12291,19 1.847,20 5.069,21 39.75,22 2,23 4.012,24 72.717,25 -0.034,26 3.228,27 3.118,28 8.491,29 1.856,30 2.427,31 3,32 92.57,33 2.704,34 11.694,35 0.29,36 2.842,37 24.853,38 3.531,39 3.531,40 1.211,42 7.31,43 6.345,44 6.724,45 5.001,47 1.4,48 7.058,49 1.067,50 1.838,51 11.933,52 3.429,53 11.758,54 104.359,55 8.696,56 0.515,57 4.014,58 4.126,59 3.692,60 3.489,61 5.219,62 3.527,63 4.571,64 4.724,65 4.13,66 3.861,67 6.206,68 3.89,69 4.763,70 5.2}
{0 CHEMBL1972125,1 1,2 3.28,3 13.045,4 4.052,5 11.877,6 1.896,7 13.915,8 1,9 1.893,10 4.03,11 4.132,12 6,13 2.19,14 162.841,15 5,16 5,17 20982,18 1,19 1.977,20 5.668,21 50.25,22 6,23 4.051,24 99.365,25 2.275,26 3.259,27 3.216,28 12.268,29 1.971,30 2.474,31 6,32 105.5,33 2.889,34 15.228,35 0.389,36 2.964,37 32.082,38 3.964,39 3.964,40 1.293,41 1,42 7.494,43 6.58,44 6.984,45 5.208,47 1.467,48 7.32,49 1.015,50 1.454,51 14.714,52 4.237,53 17.951,54 138.85,55 7.583,56 0.718,57 4.207,58 4.324,59 3.79,60 3.813,61 5.362,62 3.789,63 4.691,64 4.833,65 4.134,66 4.207,67 5.782,68 4.162,69 4.966,70 5.2}
{0 CHEMBL1972142,1 1,2 3.085,3 7.745,4 3.968,5 9.649,6 1.686,7 11.771,8 1,9 1.692,10 3.934,11 4.118,12 3,13 0.194,14 101.42,15 2,16 2,17 8123,18 1,19 1.876,20 5.154,21 37.25,22 5,23 4.025,24 51.582,25 1.914,26 2.903,27 2.924,28 7.272,29 1.885,30 2.095,31 4,32 75.697,33 2.669,34 10.77,35 0.245,36 2.687,37 18.326,38 2.511,39 2.511,40 1.195,42 7.489,43 6.335,44 6.809,45 4.67,47 1.467,48 7.224,49 0.981,50 1.428,51 10.88,52 3.342,53 11.171,54 98.166,55 7.795,56 0.786,57 3.842,58 3.955,59 3.459,60 3.478,61 4.99,62 3.454,63 4.313,64 4.456,65 3.788,66 3.859,67 5.445,68 3.81,69 4.546,70 5.2}
{0 CHEMBL1972158,2 2.826,3 11.544,4 4.036,5 16.058,6 1.695,7 2.757,8 1,9 1.747,10 3.989,11 4.138,13 0.882,14 109.427,15 3,16 3,17 9784,18 2,19 1.962,20 5.089,21 42,22 4,23 4.034,24 101.203,25 1.716,26 2.94,27 2.977,28 7.065,29 1.946,30 2.167,31 2,32 85.437,33 2.735,34 12.268,35 0.218,36 2.687,37 20.885,38 3.093,39 3.093,40 1.181,41 1,42 8.156,43 6.713,44 7.252,45 4.868,47 1.48,48 7.776,49 0.976,50 1.422,51 9.286,52 4.512,53 20.354,54 112.615,55 7.967,56 0.844,57 3.959,58 4.087,59 3.601,60 3.565,61 5.131,62 3.55,63 4.421,64 4.569,65 3.951,66 3.958,67 5.514,68 3.925,69 4.637,70 6.4}
{0 CHEMBL1972183,3 17.429,4 3.932,5 19.551,6 1.795,9 1.763,10 3.88,11 3.975,13 -0.851,17 5749,19 1.834,20 4.985,21 26.25,22 2,23 3.894,24 19.91,26 2.874,27 2.5,28 8.354,29 1.825,30 1.5,32 66.926,33 2.726,34 9.226,35 0.392,36 2.687,37 24.388,38 2.136,39 2.136,40 1.19,42 5.987,43 5.069,44 5.296,45 4.947,47 1.399,48 5.599,49 1.103,50 1.333,51 10.273,52 3.722,53 13.855,54 89.932,55 6.445,56 0.5,57 3.893,58 4.023,59 3.35,60 3.439,61 4.843,62 3.386,63 4.465,64 4.664,65 3.636,66 3.823,67 5.312,68 3.738,69 4.717,70 5.2}
{0 CHEMBL1972221,2 2.902,3 13.507,4 4,5 13.959,6 1.836,7 4.472,8 1,9 1.829,10 4.01,11 4.137,12 7,13 0.981,14 119.985,15 3,16 3,17 8760,18 1,19 1.867,20 5.094,21 36,22 3,23 4.057,24 67.742,25 1.649,26 3.218,27 2.975,28 9.18,29 1.855,30 2.193,31 6,32 89.295,33 2.735,34 13.292,35 0.343,36 2.728,37 27.007,38 2.275,39 2.275,40 1.239,41 1,42 7.684,43 6.438,44 6.955,45 4.913,47 1.442,48 7.412,49 1.078,50 1.705,51 12.185,52 3.575,53 12.778,54 107.34,55 7.888,56 0.552,57 3.986,58 4.099,59 3.745,60 3.558,61 5.066,62 3.511,63 4.517,64 4.675,65 3.998,66 3.926,67 5.807,68 3.861,69 4.763,70 5.2}
{0 CHEMBL1972250,2 3.108,3 16.406,4 3.903,5 18.273,6 1.566,7 54.88,8 1,9 1.584,10 3.874,11 4.13,12 1,13 -0.342,14 74.128,15 1,16 1,17 6166,18 1,19 1.642,20 4.982,21 36.75,22 5,23 4.052,24 81.171,26 3.054,27 3.093,28 6.518,29 1.654,30 1.859,31 2,32 73.302,33 2.602,34 10.226,35 0.091,36 2.631,37 15.782,38 2.275,39 2.275,40 1.133,41 1,42 8.037,43 6.659,44 7.195,45 4.635,47 1.465,48 7.604,49 1.128,50 1.511,51 9.917,52 4.443,53 19.738,54 90.978,55 8.676,56 0.63,57 3.72,58 3.815,59 3.43,60 3.362,61 5.006,62 3.364,63 4.188,64 4.314,65 3.788,66 3.748,67 5.339,68 3.742,69 4.338,70 5.3}
{0 CHEMBL1972258,3 6.973,4 3.856,5 7.519,6 1.453,9 1.448,10 3.817,11 3.954,12 1,13 0.341,15 2,16 2,17 3536,19 1.837,20 4.725,21 25.75,22 2,23 3.868,24 66.468,26 2.687,27 2.5,28 5.138,29 1.82,30 1.5,31 1,32 58.55,33 2.48,34 7.476,35 0.053,36 2.566,37 14.554,38 1.205,39 1.205,40 0.997,42 6.415,43 5.341,44 5.705,45 4.396,47 1.334,48 6.009,49 1,50 1.48,51 9.895,52 0.732,53 0.536,54 76.477,55 7.093,56 0.6,57 3.658,58 3.787,59 3.176,60 3.187,61 4.79,62 3.16,63 4.127,64 4.306,65 3.391,66 3.496,67 5.173,68 3.437,69 4.328,70 5.2}
{0 CHEMBL1972276,2 3.216,3 18.827,4 3.914,5 26.405,6 1.74,7 4.472,8 1,9 1.719,10 3.862,11 4.131,12 2,13 1.698,14 113.501,15 4,16 4,17 9068,18 1,19 1.943,20 5.058,21 33.75,22 1,23 4.012,24 104.389,25 1.333,26 3.155,27 2.888,28 9.95,29 1.936,30 1.98,31 4,32 81.864,33 2.802,34 11.254,35 0.465,36 2.837,37 31.637,38 2.853,39 2.853,40 1.355,41 1,42 7.645,43 6.433,44 6.925,45 5.187,47 1.408,48 7.347,49 1.087,50 1.498,51 11.852,52 2.797,53 7.824,54 108.521,55 6.915,56 0.552,57 4.049,58 4.197,59 3.543,60 3.535,61 5.121,62 3.509,63 4.577,64 4.787,65 3.871,66 3.897,67 5.628,68 3.843,69 4.809,70 5.2}
{0 CHEMBL1972346,3 7.232,4 3.87,5 5.133,6 1.149,9 1.192,10 3.857,11 3.979,12 4,13 1.996,15 4,16 4,17 2783,19 1.473,20 4.574,21 26,22 2,23 3.916,26 2.765,27 2.395,28 4.566,29 1.47,30 1.119,31 6,32 53.56,33 1.696,34 7.994,36 2.054,37 12.149,38 -0.891,39 -0.891,40 0.86,42 6.579,43 5.564,44 5.755,45 4.175,46 1,47 1.41,48 6.079,49 1.041,50 1.429,51 8.111,52 2.747,53 7.544,54 68.289,55 8.142,56 0.632,57 3.522,58 3.593,59 3.111,60 3.071,61 4.881,62 3.078,63 3.881,64 3.967,65 3.445,66 3.409,67 5.251,68 3.401,69 4.188,70 6.6}
{0 CHEMBL1972362,3 5.977,4 3.978,5 4.836,6 1.675,7 2.104,9 1.628,10 4.007,11 4.135,12 1,13 0.393,14 86.276,15 2,16 2,17 4579,19 1.681,20 4.595,21 32,22 3,23 4.145,24 49.683,25 1.736,26 2.854,27 2.848,28 7.245,29 1.696,30 1.991,32 77.547,33 2.47,34 12.501,35 0.03,36 2.477,37 16.962,38 2.275,39 2.275,40 1.075,41 2,42 7.702,43 6.535,44 7.006,45 4.529,47 1.46,48 7.412,49 1.09,50 1.841,51 8.682,52 1.879,53 3.531,54 86.534,55 9.777,56 0.667,57 3.653,58 3.718,59 3.655,60 3.391,61 4.847,62 3.313,63 4.141,64 4.229,65 3.962,66 3.779,67 5.63,68 3.697,69 4.341,70 5.2}
{0 CHEMBL1972489,2 2.779,3 9.121,4 3.933,5 11.333,6 1.409,7 11.771,8 1,9 1.455,10 3.912,11 4.093,12 1,13 0.393,14 75.878,15 2,16 2,17 3544,18 1,19 1.655,20 4.582,21 28,22 2,23 3.986,24 51.337,25 1.818,26 2.758,27 2.575,28 3.981,29 1.7,30 1.595,31 4,32 60.437,33 2.128,34 8.771,35 0.005,36 2.321,37 11.09,38 1.128,39 1.128,40 0.944,42 6.523,43 5.961,44 6.261,45 4.124,47 1.431,48 6.599,49 1.129,50 1.71,51 8.632,52 3.06,53 9.364,54 73.883,55 9.37,56 0.762,57 3.505,58 3.61,59 3.265,60 3.14,61 4.735,62 3.132,63 3.948,64 4.065,65 3.633,66 3.513,67 5.205,68 3.486,69 4.158,70 5.2}
{0 CHEMBL1972568,3 4.313,4 3.85,5 4.651,6 1.391,9 1.372,10 3.812,11 3.95,13 -0.795,17 2125,19 1.549,20 4.352,21 24,22 2,23 3.866,24 33.571,26 2.595,27 2.306,28 3.992,29 1.535,30 0.984,32 49.403,33 2.194,34 6.388,36 2.212,37 11.26,38 -0.979,39 -0.979,40 0.938,42 6.306,43 5.259,44 5.606,45 4.14,47 1.354,48 5.883,49 1.212,50 1.481,51 7.875,52 1.499,53 2.246,54 63.662,55 7.581,56 0.706,57 3.421,58 3.528,59 3.013,60 2.995,61 4.61,62 2.977,63 3.856,64 4.016,65 3.229,66 3.283,67 4.965,68 3.247,69 3.956,70 5.2}
{0 CHEMBL1972576,3 24.83,4 3.981,5 32.993,6 1.633,7 18.375,9 1.666,10 3.947,11 4.07,12 1,13 2.452,14 141.027,15 5,16 5,17 13878,19 1.928,20 5.069,21 44.75,22 3,23 4.046,24 120.5,25 1.206,26 3.289,27 3.395,28 8.689,29 1.948,30 2.694,31 8,32 95.065,33 2.735,34 13.84,35 0.218,36 2.841,37 26.006,38 3.576,39 3.576,40 1.181,42 7.06,43 6.32,44 6.646,45 4.86,47 1.426,48 7.004,49 1.193,50 1.735,51 13.967,52 2.729,53 7.446,54 117.735,55 8.719,56 0.667,57 3.994,58 4.11,59 3.724,60 3.59,61 5.229,62 3.571,63 4.444,64 4.582,65 4.094,66 3.959,67 5.713,68 3.918,69 4.652,70 6}
{0 CHEMBL1972584,1 1,3 33.225,4 4.154,5 40.174,6 1.97,7 7.229,9 1.984,10 4.115,11 4.172,12 7,13 0.718,14 406.52,15 3,16 3,17 39724,18 2,19 2.024,20 5.605,21 56.25,22 3,23 4.062,24 111.066,25 3.538,26 3.458,27 3.716,28 19.287,29 2.021,30 2.975,31 3,32 133.687,33 3.054,34 19.767,35 0.825,36 3.206,37 59.701,38 5.666,39 5.666,40 1.665,41 2,42 8.206,43 7.054,44 7.496,45 5.804,47 1.483,48 7.945,49 1.139,50 1.528,51 17.341,52 3.792,53 14.377,54 171.243,55 7.306,56 0.52,57 4.504,58 4.638,59 4.066,60 4.022,61 5.56,62 4.007,63 5.078,64 5.268,65 4.467,66 4.457,67 6.082,68 4.421,69 5.369,70 5.7}
{0 CHEMBL1972659,3 16.025,4 4.041,5 17.39,6 1.706,9 1.689,10 4.015,11 4.099,12 5,13 0.157,15 2,16 2,17 9522,19 1.762,20 5.354,21 35.5,22 6,23 4.059,24 34.551,25 2.225,26 3.088,27 3.118,28 10.666,29 1.772,30 2.414,31 3,32 80.849,33 2.769,34 11.75,35 0.543,36 2.78,37 29.257,38 2.833,39 2.833,40 1.339,42 7.196,43 6.318,44 6.61,45 5.097,47 1.477,48 6.896,49 1.185,50 1.408,51 11.111,52 4.607,53 21.228,54 107.157,55 7.316,56 0.567,57 3.98,58 4.092,59 3.534,60 3.599,61 5.09,62 3.56,63 4.493,64 4.649,65 3.888,66 4.005,67 5.54,68 3.94,69 4.777,70 5.2}
{0 CHEMBL1972820,3 14.19,4 3.886,5 17.04,6 1.263,9 1.341,10 3.874,11 4.05,12 2,13 0.378,14 81.114,15 2,16 2,17 3852,19 1.521,20 4.44,21 31,22 3,23 3.956,24 3.124,26 2.814,27 2.726,28 4.885,29 1.599,30 1.803,31 3,32 63.404,33 2.302,34 9.366,36 2.491,37 12.656,38 2.21,39 2.21,40 0.957,42 6.847,43 5.996,44 6.368,45 4.33,46 1,47 1.514,48 6.68,49 1.091,50 1.615,51 7.905,52 1.776,53 3.154,54 71.446,55 9.442,56 0.522,57 3.561,58 3.619,59 3.295,60 3.142,61 4.955,62 3.181,63 3.998,64 4.066,65 3.711,66 3.529,67 5.522,68 3.559,69 4.257,70 5.2}
{0 CHEMBL1972840,1 1,2 3.294,3 8.592,4 4.087,5 7.94,6 1.866,7 16.019,8 1,9 1.86,10 4.075,11 4.134,12 3,13 0.857,14 245.443,15 3,16 3,17 13207,18 1,19 1.946,20 5.492,21 41.25,22 4,23 4.105,24 83.254,25 4.693,26 3.252,27 3.045,28 9.189,29 1.943,30 2.298,31 4,32 92.288,33 2.814,34 13.435,35 0.386,36 2.875,37 23.423,38 3.701,39 3.701,40 1.28,41 3,42 7.552,43 6.635,44 7.066,45 4.879,47 1.431,48 7.471,49 1.146,50 1.564,51 12.621,52 3.582,53 12.83,54 116.579,55 8.174,56 0.788,57 4.011,58 4.119,59 3.711,60 3.658,61 5.129,62 3.616,63 4.507,64 4.644,65 4.088,66 4.071,67 5.555,68 4.001,69 4.733,70 5.8}
{0 CHEMBL1972849,3 8.912,4 4.087,5 6.882,6 1.69,7 56.219,9 1.728,10 4.035,11 4.198,12 1,13 -0.25,14 104.558,15 1,16 1,17 10709,18 2,19 1.882,20 5.099,21 40.75,22 1,23 4.018,24 69.225,25 0.739,26 3.04,27 3.109,28 6.664,29 1.877,30 2.349,31 1,32 92.464,33 2.645,34 12.753,35 0.363,36 2.753,37 19.942,38 4.411,39 4.411,40 1.34,41 1,42 8.64,43 7.104,44 7.651,45 4.931,47 1.472,48 8.161,49 0.58,50 1.829,51 10,52 3.977,53 15.818,54 104.357,55 8.922,56 0.735,57 3.999,58 4.103,59 3.712,60 3.494,61 5.267,62 3.535,63 4.511,64 4.653,65 4.145,66 3.906,67 5.771,68 3.946,69 4.721,70 5.2}
{0 CHEMBL1972937,3 13.776,4 3.914,5 15.016,6 1.524,7 0.693,9 1.518,10 3.885,11 3.968,12 2,13 -0.31,15 1,16 1,17 5285,19 1.614,20 4.816,21 31.25,22 1,23 3.909,24 34.796,26 2.917,27 2.794,28 6.942,29 1.651,30 1.826,31 1,32 71.041,33 2.617,34 10.026,35 0.161,36 2.687,37 18.887,38 2.136,39 2.136,40 1.1,42 6.778,43 5.742,44 6.138,45 4.371,47 1.372,48 6.467,49 0.927,50 1.648,51 9.955,52 3.763,53 14.16,54 89.416,55 8.622,56 0.5,57 3.692,58 3.782,59 3.44,60 3.344,61 4.882,62 3.302,63 4.145,64 4.266,65 3.811,66 3.679,67 5.341,68 3.618,69 4.286,70 5.2}
{0 CHEMBL1973098,3 10.189,4 3.705,5 8.549,6 1.37,9 1.326,10 3.7,11 3.953,12 1,13 0.526,15 2,16 2,17 2189,19 1.518,20 4.518,21 21.5,22 1,23 3.901,24 18.011,26 2.812,27 1.74,28 5.411,29 1.507,30 0.63,31 2,32 58.227,33 1.76,34 8.613,36 2.237,37 13.654,38 -0.883,39 -0.883,40 0.516,42 6.055,43 5.338,44 5.641,45 4.05,47 1.357,48 5.921,49 0.817,50 1.88,51 7.235,52 2.558,53 6.541,54 72.369,55 10.283,56 0.333,57 3.394,58 3.455,59 3.276,60 3.049,61 4.683,62 3.004,63 3.827,64 3.912,65 3.77,66 3.414,67 5.147,68 3.337,69 3.936,70 5.2}
{0 CHEMBL1973142,3 11.831,4 3.624,5 15.227,6 1.277,7 2.104,9 1.265,10 3.589,11 4.097,12 3,13 1.306,14 67.037,15 3,16 3,17 2098,19 1.623,20 4.441,21 22.75,22 1,23 4.123,24 50.908,25 1.278,26 2.872,27 2.313,28 4.199,29 1.641,30 1.199,31 2,32 62.767,33 1.879,34 9.508,36 2.243,37 9.596,38 -0.409,39 -0.409,40 0.679,41 2,42 6.778,43 6.258,44 6.537,45 4.044,46 1,47 1.394,48 6.831,49 1.25,50 2.083,51 5.833,52 2.435,53 5.927,54 72.492,55 11.661,56 0.526,57 3.395,58 3.47,59 3.372,60 3.099,61 4.703,62 3.053,63 3.843,64 3.934,65 3.848,66 3.505,67 5.259,68 3.429,69 4.037,70 5.2}
{0 CHEMBL1973145,3 20.473,4 3.967,5 29.218,6 1.588,7 20.274,9 1.617,10 3.932,11 4.097,12 7,13 3.356,14 122.805,15 6,16 6,17 10960,19 1.895,20 5.159,21 41.75,22 4,23 4.081,24 135.387,25 1.539,26 3.047,27 3.333,28 9.139,29 1.916,30 2.613,31 5,32 88.276,33 2.735,34 13.179,35 0.218,36 2.793,37 28.239,38 3.492,39 3.492,40 1.213,42 7.654,43 6.554,44 6.951,45 4.863,46 1,47 1.429,48 7.414,49 1.118,50 1.676,51 12.429,52 3.237,53 10.478,54 114.23,55 8.489,56 0.71,57 3.95,58 4.074,59 3.662,60 3.555,61 5.164,62 3.527,63 4.396,64 4.54,65 4.046,66 3.936,67 5.64,68 3.883,69 4.601,70 5.2}
{0 CHEMBL1973211,3 27.434,4 3.968,5 33.376,6 1.793,7 53.182,9 1.791,10 3.935,11 4.119,12 7,13 1.463,14 157.728,15 4,16 4,17 21411,19 1.931,20 5.361,21 47.25,22 5,23 4.127,24 88.829,25 1.988,26 3.382,27 3.465,28 12.106,29 1.929,30 2.656,31 5,32 109.672,33 2.985,34 15.898,35 0.612,36 2.983,37 33.628,38 4.594,39 4.594,40 1.478,41 1,42 8.075,43 6.778,44 7.24,45 5.098,47 1.428,48 7.733,49 0.988,50 1.525,51 15.314,52 5.156,53 26.586,54 145.456,55 7.769,56 0.564,57 4.221,58 4.343,59 3.864,60 3.844,61 5.319,62 3.796,63 4.735,64 4.904,65 4.218,66 4.245,67 5.798,68 4.167,69 4.958,70 6}
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{0 CHEMBL1974664,1 1,2 3.331,3 12.326,4 3.949,5 10.44,6 1.57,7 6.616,8 1,9 1.58,10 3.932,11 4.199,12 3,13 0.289,14 169.725,15 2,16 2,17 8713,18 1,19 1.944,20 5.066,21 38.5,22 2,23 4.095,24 84.908,25 3.74,26 3.051,27 2.919,28 6.558,29 1.971,30 2.057,31 2,32 81.279,33 2.788,34 10.909,35 0.299,36 2.807,37 20.896,38 2.904,39 2.904,40 1.284,41 2,42 7.91,43 6.769,44 7.238,45 4.78,47 1.401,48 7.693,49 1.148,50 1.617,51 11.154,52 3.933,53 15.472,54 101.44,55 8.079,56 0.724,57 3.897,58 4.008,59 3.54,60 3.414,61 5.093,62 3.429,63 4.368,64 4.52,65 3.861,66 3.766,67 5.496,68 3.771,69 4.486,70 5.2}
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{0 CHEMBL1975128,2 2.792,3 11.612,4 3.997,5 14.467,6 1.64,8 1,9 1.66,10 3.949,11 4.122,13 1.075,14 89.691,15 3,16 3,17 6052,18 2,19 1.696,20 4.837,21 33,22 3,23 4.06,24 101.203,25 1.744,26 2.933,27 2.78,28 8.464,29 1.748,30 1.906,31 2,32 83.57,33 2.647,34 11.152,35 0.058,36 2.687,37 29.386,38 2.761,39 2.761,40 1.042,42 7.68,43 6.406,44 6.918,45 4.461,47 1.425,48 7.397,49 1.058,50 1.625,51 9.391,52 3.392,53 11.508,54 99.612,55 11.562,56 0.808,57 3.731,58 3.859,59 3.683,60 3.384,61 4.922,62 3.335,63 4.186,64 4.333,65 4.157,66 3.781,67 5.304,68 3.715,69 4.371,70 6.2}
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{0 CHEMBL1977346,3 16.723,4 3.794,5 26.983,6 1.22,7 3.559,9 1.211,10 3.76,11 4.002,13 0.526,15 2,16 2,17 2161,18 1,19 1.378,20 4.502,21 25.75,22 1,23 3.965,24 69.348,26 2.685,27 2.529,28 5.464,29 1.419,30 1.478,31 4,32 65.293,33 1.992,34 8.82,36 2.341,37 14.041,40 0.493,42 6.797,43 5.753,44 6.121,45 4.071,47 1.382,48 6.462,49 0.513,50 1.847,51 6.294,52 2.361,53 5.575,54 72.832,55 14.088,56 0.632,57 3.351,58 3.456,59 3.462,60 3.045,61 4.611,62 3.002,63 3.788,64 3.899,65 3.97,66 3.423,67 5.078,68 3.363,69 4.079,70 5.2}
{0 CHEMBL1977374,3 14.656,4 4.059,5 9.534,6 1.773,7 32.677,9 1.745,10 4.003,11 4.159,13 -0.707,14 94.582,17 9067,18 2,19 1.847,20 5.012,21 37,22 1,23 4.002,24 69.838,25 0.656,26 3.025,27 3.062,28 6.597,29 1.83,30 2.255,32 85.681,33 2.637,34 11.712,35 0.441,36 2.735,37 18.476,38 3.806,39 3.806,40 1.289,41 1,42 8.285,43 6.868,44 7.365,45 4.823,47 1.474,48 7.878,49 0.693,50 1.632,51 9.25,52 4.555,53 20.749,54 102.338,55 8.27,56 0.656,57 3.973,58 4.096,59 3.639,60 3.512,61 5.136,62 3.519,63 4.524,64 4.698,65 4.062,66 3.922,67 5.667,68 3.924,69 4.752,70 5.2}
{0 CHEMBL1977604,3 22.324,4 3.894,5 29.257,6 1.71,7 29.92,9 1.71,10 3.839,11 4.076,12 2,13 1.05,14 78.816,15 3,16 3,17 6429,19 1.784,20 5.083,21 29,22 1,23 3.984,24 39.146,26 3.052,27 3.019,28 10.653,29 1.772,30 2.057,31 2,32 83.214,33 2.712,34 11.58,35 0.093,36 2.762,37 25.939,38 3.632,39 3.632,40 1.093,42 7.35,43 6.335,44 6.73,45 4.958,47 1.469,48 7.009,49 1.075,50 1.927,51 8.346,52 2.204,53 4.86,54 95.444,55 8.871,56 0.207,57 3.908,58 4.009,59 3.642,60 3.455,61 5.12,62 3.447,63 4.482,64 4.63,65 4.105,66 3.906,67 5.742,68 3.887,69 4.783,70 5.2}
{0 CHEMBL1977681,2 2.824,3 5.985,4 3.855,5 3.854,6 1.527,7 19.075,8 1,9 1.549,10 3.832,11 4.13,12 1,13 0.445,15 2,16 2,17 3027,18 1,19 1.61,20 4.694,21 25.5,22 2,23 4.092,24 51.337,25 1.45,26 2.768,27 2.674,28 5.103,29 1.619,30 1.735,31 2,32 62.208,33 2.372,34 8.322,36 2.565,37 12.97,38 0.68,39 0.68,40 0.896,41 2,42 7.426,43 6.383,44 6.825,45 4.185,47 1.423,48 7.092,49 1.01,50 1.89,51 7.684,52 2.71,53 7.344,54 73.567,55 9.494,56 0.714,57 3.516,58 3.616,59 3.338,60 3.156,61 4.772,62 3.129,63 3.979,64 4.109,65 3.754,66 3.539,67 5.251,68 3.496,69 4.111,70 5.7}
{0 CHEMBL1977814,3 16.228,4 3.825,5 20.445,6 1.692,9 1.675,10 3.785,11 4.089,13 -0.717,14 64.496,17 3903,18 2,19 1.774,20 4.596,21 26.25,22 2,23 3.969,24 24.178,26 2.916,27 2.933,28 6.503,29 1.795,30 2.049,32 68.647,33 2.618,34 10.493,35 0.413,36 2.518,37 20.967,38 1.932,39 1.932,40 1.291,42 7.207,43 6.156,44 6.553,45 4.677,47 1.471,48 6.905,49 0.717,50 1.677,51 7.091,52 3.919,53 15.361,54 86.555,55 7.995,56 0.458,57 3.797,58 3.912,59 3.43,60 3.325,61 4.89,62 3.302,63 4.347,64 4.529,65 3.848,66 3.712,67 5.385,68 3.69,69 4.551,70 5.2}
{0 CHEMBL1978014,3 25.777,4 4.007,5 38.364,6 1.696,7 16.243,9 1.743,10 3.955,11 4.153,12 2,13 0.225,14 127.282,15 2,16 2,17 14535,18 2,19 1.998,20 5.151,21 40.25,22 3,23 4.036,24 89.441,25 1.498,26 3.171,27 3.254,28 8.96,29 1.989,30 2.392,31 1,32 94.512,33 2.928,34 13.836,35 0.504,36 2.866,37 31.505,38 3.611,39 3.611,40 1.472,41 1,42 7.995,43 6.643,44 7.141,45 5.161,47 1.479,48 7.641,49 0.97,50 1.525,51 13.484,52 3.596,53 12.929,54 124.203,55 7.421,56 0.6,57 4.14,58 4.277,59 3.719,60 3.666,61 5.232,62 3.65,63 4.683,64 4.869,65 4.086,66 4.087,67 5.69,68 4.05,69 4.94,70 5.2}
{0 CHEMBL1978099,3 30.639,4 3.972,5 45.182,6 1.777,7 19.187,9 1.792,10 3.946,11 4.085,12 6,13 2.469,15 5,16 5,17 14596,18 2,19 1.868,20 5.284,21 45,22 1,23 4.067,24 118.895,26 3.129,27 3.42,28 9.208,29 1.895,30 2.686,31 4,32 105.689,33 2.762,34 15.345,35 0.515,36 2.827,37 31.997,38 3.758,39 3.758,40 1.277,42 7.215,43 6.101,44 6.475,45 5.089,46 1,47 1.398,48 6.841,49 1.274,50 1.913,51 14.094,52 2.988,53 8.93,54 117.971,55 8.689,56 0.529,57 4.09,58 4.198,59 3.891,60 3.594,61 5.307,62 3.594,63 4.582,64 4.728,65 4.162,66 3.922,67 6.06,68 3.92,69 4.787,70 6}
{0 CHEMBL1978166,3 22.195,4 3.969,5 25.088,6 1.926,7 53.182,9 1.921,10 3.935,11 4.12,12 8,13 2.92,14 182.468,15 6,16 6,17 26662,19 1.994,20 5.741,21 47.75,22 5,23 4.128,24 118.601,25 1.987,26 3.418,27 3.436,28 15.356,29 1.963,30 2.597,31 6,32 118.308,33 3.122,34 16.434,35 0.648,36 3.245,37 43.156,38 3.83,39 3.83,40 1.561,41 1,42 8.026,43 6.763,44 7.217,45 5.357,47 1.398,48 7.703,49 0.999,50 1.468,51 18.553,52 6.786,53 46.048,54 160.207,55 7.202,56 0.537,57 4.352,58 4.486,59 3.913,60 3.955,61 5.426,62 3.892,63 4.865,64 5.047,65 4.23,66 4.344,67 5.879,68 4.237,69 5.127,70 5.3}
{0 CHEMBL1978200,3 16.821,4 3.895,5 21.151,6 1.859,7 46.347,9 1.866,10 3.865,11 4.161,12 1,13 0.257,14 123.693,15 2,16 2,17 11619,18 1,19 1.958,20 5.232,21 41.5,22 1,23 4.015,24 86.439,25 0.548,26 3.098,27 3.192,28 8.639,29 1.957,30 2.444,31 4,32 93.305,33 2.733,34 13.356,35 0.469,36 2.868,37 26.62,38 3.572,39 3.572,40 1.417,41 1,42 8.303,43 6.891,44 7.397,45 5.06,46 1,47 1.425,48 7.919,49 0.775,50 1.695,51 10.839,52 3.517,53 12.37,54 113.817,55 8.009,56 0.647,57 4.086,58 4.208,59 3.703,60 3.59,61 5.285,62 3.598,63 4.605,64 4.783,65 4.113,66 3.966,67 5.828,68 3.971,69 4.86,70 5.2}
{0 CHEMBL1978448,1 1,3 23.193,4 4.031,5 34.46,6 1.61,7 14.528,9 1.596,10 4.02,11 4.122,13 -0.241,14 75.402,15 1,16 1,17 5496,18 1,19 1.668,20 4.853,21 30.5,22 1,23 4.031,24 21.428,26 2.918,27 2.811,28 10.089,29 1.665,30 1.934,31 1,32 77.572,33 2.412,34 12.489,35 0.473,36 2.419,37 28.939,38 2.062,39 2.062,40 1.269,41 1,42 7.235,43 6.091,44 6.496,45 4.941,47 1.499,48 6.938,49 1.178,50 1.747,51 8.13,52 2.09,53 4.37,54 86.96,55 8.286,56 0.423,57 3.824,58 3.921,59 3.659,60 3.412,61 4.849,62 3.375,63 4.378,64 4.528,65 3.912,66 3.771,67 5.677,68 3.725,69 4.599,70 5.2}
{0 CHEMBL1978645,1 1,3 26.75,4 4.09,5 36.362,6 1.949,7 4.901,9 1.946,10 4.073,11 4.194,12 8,13 0.016,14 167.982,15 2,16 2,17 27525,18 2,19 2.019,20 5.868,21 57.75,22 7,23 4.116,24 19.91,25 3.975,26 3.413,27 3.513,28 17.772,29 2.01,30 2.908,31 3,32 123.057,33 3.051,34 17.956,35 0.687,36 3.114,37 43.63,38 4.983,39 4.983,40 1.6,41 2,42 8.453,43 7.142,44 7.61,45 5.512,46 1,47 1.471,48 8.075,49 1.04,50 1.356,51 13.293,52 8.869,53 78.661,54 164.25,55 7.407,56 0.717,57 4.378,58 4.483,59 3.949,60 4.003,61 5.487,62 3.969,63 4.886,64 5.032,65 4.316,66 4.399,67 5.988,68 4.347,69 5.146,70 5.4}
{0 CHEMBL1978656,3 8.785,4 3.954,5 10.379,6 1.644,7 2.757,9 1.676,10 3.928,11 4.137,12 3,13 0.251,14 99.245,15 2,16 2,17 7962,18 1,19 1.863,20 5.089,21 39.25,22 3,23 3.988,24 52.623,25 0.474,26 2.969,27 3.046,28 7.682,29 1.867,30 2.308,31 5,32 78.896,33 2.735,34 11.302,35 0.193,36 2.737,37 21.252,38 2.916,39 2.916,40 1.181,41 1,42 7.721,43 6.542,44 6.994,45 4.821,46 1,47 1.471,48 7.453,49 0.958,50 1.572,51 10.077,52 3.296,53 10.864,54 98.458,55 8.2,56 0.759,57 3.864,58 3.971,59 3.514,60 3.447,61 5.09,62 3.446,63 4.319,64 4.457,65 3.878,66 3.814,67 5.523,68 3.802,69 4.541,70 5.2}
{0 CHEMBL1979057,2 3.261,3 17.232,4 4.062,5 27.874,6 1.636,7 2.144,8 1,9 1.669,10 4.036,11 4.115,12 5,13 0.898,14 210.376,15 3,16 3,17 9498,18 2,19 1.877,20 5.154,21 39.25,22 4,23 4.019,24 69.593,25 1.937,26 2.946,27 3.032,28 7.306,29 1.876,30 2.298,31 5,32 78.912,33 2.735,34 11.636,35 0.218,36 2.696,37 18.968,38 3.225,39 3.225,40 1.181,41 1,42 7.628,43 6.524,44 6.993,45 4.745,47 1.486,48 7.408,49 1.118,50 1.482,51 11.038,52 3.917,53 15.345,54 100.096,55 8.105,56 0.733,57 3.874,58 3.987,59 3.528,60 3.5,61 5.016,62 3.49,63 4.363,64 4.499,65 3.913,66 3.911,67 5.513,68 3.88,69 4.592,70 5.2}
{0 CHEMBL1979093,3 21.901,4 3.975,5 28.768,6 1.598,7 26.4,9 1.645,10 3.944,11 4.123,12 6,13 1.631,14 133.699,15 4,16 4,17 12898,19 1.882,20 5.217,21 43,22 4,23 4.033,24 88.515,25 1.142,26 3.081,27 3.263,28 8.676,29 1.89,30 2.488,31 5,32 91.767,33 2.771,34 12.701,35 0.294,36 2.832,37 24.587,38 3.805,39 3.805,40 1.351,41 1,42 7.691,43 6.609,44 7.025,45 4.974,47 1.45,48 7.434,49 1.141,50 1.705,51 13.2,52 4.163,53 17.331,54 112.132,55 8.295,56 0.667,57 4.021,58 4.128,59 3.667,60 3.551,61 5.277,62 3.565,63 4.487,64 4.623,65 4.034,66 3.921,67 5.739,68 3.923,69 4.687,70 5.6}
{0 CHEMBL1979176,3 20.491,4 3.951,5 29.053,6 1.529,7 6.604,9 1.572,10 3.913,11 4.076,12 3,13 0.365,15 2,16 2,17 7868,19 1.681,20 5.042,21 36.5,22 2,23 3.995,24 69.593,25 1.25,26 2.985,27 2.993,28 5.791,29 1.705,30 2.215,31 3,32 79.849,33 2.641,34 9.917,35 0.108,36 2.677,37 18.641,38 2.539,39 2.539,40 1.11,42 7.149,43 6.246,44 6.576,45 4.719,47 1.39,48 6.854,49 1.183,50 1.892,51 10.962,52 3.024,53 9.142,54 87.006,55 9.291,56 0.607,57 3.81,58 3.912,59 3.532,60 3.295,61 5.121,62 3.348,63 4.317,64 4.45,65 3.973,66 3.632,67 6.118,68 3.685,69 4.445,70 5.2}
{0 CHEMBL1979252,3 20.099,4 3.939,5 31.28,6 1.485,9 1.523,10 3.912,11 4.006,12 2,13 0.352,15 2,16 2,17 7187,19 1.856,20 4.811,21 33.25,22 2,23 3.902,24 52.807,26 2.842,27 2.886,28 6.086,29 1.878,30 1.963,31 3,32 75.922,33 2.461,34 9.501,35 0.017,36 2.577,37 15.019,38 2.557,39 2.557,40 0.994,42 6.471,43 5.554,44 5.885,45 4.549,47 1.449,48 6.129,49 0.962,50 1.858,51 10.32,52 1.64,53 2.69,54 87.647,55 9.387,56 0.444,57 3.751,58 3.85,59 3.48,60 3.292,61 5.064,62 3.33,63 4.242,64 4.371,65 3.895,66 3.595,67 6.06,68 3.638,69 4.402,70 5.2}
{0 CHEMBL1979318,2 2.894,3 14.138,4 3.859,5 15.449,6 1.367,7 7.571,8 1,9 1.403,10 3.822,11 4.059,12 7,13 1.152,14 69.679,15 3,16 3,17 3027,18 1,19 1.726,20 4.736,21 27,22 2,23 4.073,24 97.283,26 2.859,27 2.859,28 8.272,29 1.757,30 1.668,31 3,32 73.716,33 2.448,34 9.792,35 0.034,36 2.574,37 19.165,38 1.09,39 1.09,40 1.018,41 1,42 6.863,43 6.014,44 6.347,45 4.524,47 1.397,48 6.698,49 1.138,50 1.749,51 5.95,52 2.569,53 6.599,54 84.418,55 12.2,56 0.5,57 3.568,58 3.677,59 3.562,60 3.243,61 4.823,62 3.191,63 4.035,64 4.164,65 4.036,66 3.669,67 5.192,68 3.582,69 4.249,70 5.5}
{0 CHEMBL1979357,1 1,3 11.192,4 3.977,5 16.54,6 1.788,7 13.915,9 1.787,10 3.942,11 4.157,12 3,13 0.157,14 109.464,15 2,16 2,17 9165,18 1,19 1.946,20 5.273,21 38.5,22 5,23 4.077,24 68.367,25 2.459,26 3.111,27 2.977,28 10.559,29 1.946,30 2.159,31 1,32 81.563,33 2.735,34 11.435,35 0.414,36 2.687,37 27.441,38 2.75,39 2.75,40 1.339,41 1,42 7.56,43 6.438,44 6.883,45 5.07,47 1.446,48 7.278,49 1.121,50 1.326,51 10.889,52 2.793,53 7.801,54 110.977,55 7.234,56 0.733,57 3.976,58 4.104,59 3.533,60 3.586,61 5.083,62 3.548,63 4.465,64 4.639,65 3.847,66 3.98,67 5.465,68 3.918,69 4.695,70 5.2}
{0 CHEMBL1979516,3 22.451,4 3.955,5 28.471,6 1.793,7 34.081,9 1.78,10 3.922,11 4.121,12 6,13 2.376,14 142.495,15 5,16 5,17 15104,19 1.938,20 5.378,21 45,22 4,23 4.124,24 103.715,25 1.499,26 3.369,27 3.33,28 10.792,29 1.939,30 2.616,31 7,32 101.316,33 2.752,34 13.853,35 0.241,36 2.883,37 29.832,38 4.101,39 4.101,40 1.235,41 1,42 7.879,43 6.692,44 7.12,45 4.975,47 1.425,48 7.586,49 1.14,50 1.776,51 13.813,52 3.307,53 10.939,54 124.211,55 8.645,56 0.629,57 4.065,58 4.179,59 3.78,60 3.665,61 5.299,62 3.643,63 4.534,64 4.675,65 4.152,66 4.046,67 5.81,68 4,69 4.773,70 5.4}
{0 CHEMBL1979554,2 2.855,3 17.502,4 3.979,5 25.951,6 1.591,7 2.144,8 1,9 1.639,10 3.957,11 4.107,12 4,13 1.012,14 110.156,15 3,16 3,17 8628,18 1,19 1.875,20 5.195,21 36,22 2,23 3.997,24 69.348,25 1.785,26 3.211,27 3.034,28 6.231,29 1.893,30 2.107,31 5,32 84.471,33 2.508,34 12.424,35 0.168,36 2.841,37 17.131,38 3.722,39 3.722,40 1.098,41 1,42 7.137,43 6.157,44 6.511,45 4.525,47 1.445,48 6.966,49 1.088,50 1.825,51 10.846,52 2.821,53 7.958,54 103.455,55 10.191,56 0.552,57 3.79,58 3.885,59 3.61,60 3.423,61 5.034,62 3.424,63 4.24,64 4.354,65 3.993,66 3.784,67 5.5,68 3.772,69 4.459,70 5.2}
{0 CHEMBL1979577,3 23.654,4 3.968,5 31.4,6 1.851,7 53.182,9 1.842,10 3.934,11 4.119,12 9,13 3.096,14 148.776,15 6,16 6,17 16567,19 1.947,20 5.267,21 45.25,22 5,23 4.128,24 118.601,25 1.855,26 3.381,27 3.465,28 10.899,29 1.939,30 2.772,31 8,32 101.083,33 2.975,34 15.916,35 0.469,36 2.962,37 30.091,38 4.59,39 4.59,40 1.417,41 1,42 8.074,43 6.788,44 7.248,45 4.991,47 1.453,48 7.749,49 0.954,50 1.549,51 14,52 4.31,53 18.576,54 136.903,55 7.856,56 0.611,57 4.146,58 4.272,59 3.789,60 3.771,61 5.312,62 3.722,63 4.619,64 4.78,65 4.172,66 4.164,67 5.78,68 4.092,69 4.853,70 6.3}
{0 CHEMBL1979718,1 1,2 2.58,3 17.353,4 3.941,5 24.385,6 1.642,7 6.8,8 1,9 1.7,10 3.883,11 4.171,12 3,13 0.251,14 103.823,15 2,16 2,17 8249,18 2,19 1.83,20 5.058,21 37,22 4,23 4.088,24 70.021,25 2.208,26 3.056,27 2.886,28 10.09,29 1.818,30 2.049,31 1,32 78.717,33 2.735,34 11.386,35 0.332,36 2.687,37 25.78,38 2.488,39 2.488,40 1.392,41 2,42 7.634,43 6.471,44 6.958,45 4.994,47 1.467,48 7.381,49 1.166,50 1.519,51 10.577,52 3.61,53 13.034,54 102.598,55 7.676,56 0.724,57 3.918,58 4.045,59 3.521,60 3.479,61 5.059,62 3.465,63 4.414,64 4.589,65 3.881,66 3.867,67 5.523,68 3.833,69 4.583,70 5.2}
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{0 CHEMBL1979855,3 26.894,4 4.074,5 34.309,6 1.752,7 4.276,9 1.791,10 4.039,11 4.104,12 7,13 0.792,15 3,16 3,17 17287,18 1,19 1.946,20 5.352,21 49,22 3,23 4.045,24 103.531,25 1.96,26 3.365,27 3.446,28 10.168,29 1.919,30 2.548,31 4,32 104.269,33 2.962,34 15.741,35 0.469,36 3.11,37 31.934,38 3.931,39 3.931,40 1.417,42 7.677,43 6.612,44 6.979,45 5.209,47 1.469,48 7.322,49 0.879,50 1.536,51 12.829,52 4.763,53 22.689,54 133.542,55 7.649,56 0.579,57 4.198,58 4.323,59 3.782,60 3.762,61 5.38,62 3.743,63 4.696,64 4.864,65 4.155,66 4.149,67 5.846,68 4.111,69 4.965,70 5.6}
{0 CHEMBL1979883,3 24.272,4 3.968,5 29.841,6 1.838,7 53.182,9 1.834,10 3.934,11 4.118,12 7,13 1.513,14 149.353,15 4,16 4,17 16831,19 1.935,20 5.267,21 45.75,22 5,23 4.127,24 88.829,25 1.943,26 3.381,27 3.453,28 10.914,29 1.932,30 2.614,31 5,32 102.871,33 2.984,34 15.141,35 0.515,36 2.97,37 30.246,38 4.589,39 4.589,40 1.417,41 1,42 8.031,43 6.762,44 7.218,45 4.994,47 1.426,48 7.704,49 0.954,50 1.549,51 14.545,52 4.695,53 22.045,54 137.916,55 7.856,56 0.611,57 4.147,58 4.27,59 3.795,60 3.76,61 5.296,62 3.714,63 4.627,64 4.802,65 4.14,66 4.138,67 5.737,68 4.067,69 4.8,70 6}
{0 CHEMBL1979970,2 2.655,3 10.255,4 3.909,5 11.42,6 1.661,7 29.92,8 1,9 1.706,10 3.878,11 4.099,12 3,13 0.407,14 88.662,15 2,16 2,17 5220,18 1,19 1.813,20 4.927,21 30.75,22 2,23 3.961,24 84.663,25 0.75,26 2.874,27 2.863,28 4.293,29 1.823,30 2.023,31 3,32 71.113,33 2.473,34 8.862,35 0.028,36 2.615,37 14.105,38 1.856,39 1.856,40 0.996,42 7.614,43 6.389,44 6.898,45 4.466,47 1.43,48 7.348,49 0.888,50 1.828,51 9.304,52 2.914,53 8.494,54 78.801,55 8.815,56 0.64,57 3.724,58 3.845,59 3.412,60 3.23,61 5.019,62 3.258,63 4.21,64 4.368,65 3.779,66 3.584,67 5.514,68 3.602,69 4.443,70 5.2}
{0 CHEMBL1980142,3 20.633,4 3.95,5 28.555,6 1.498,7 6.604,9 1.546,10 3.909,11 4.091,12 3,13 0.388,15 2,16 2,17 9162,19 1.672,20 4.998,21 37.25,22 2,23 4.011,24 69.593,25 -0.352,26 3.218,27 3.118,28 6.228,29 1.707,30 2.427,31 3,32 85.078,33 2.541,34 9.641,35 0.053,36 2.603,37 12.645,38 3.523,39 3.523,40 0.971,42 7.248,43 6.304,44 6.686,45 4.696,47 1.405,48 6.97,49 1.07,50 1.926,51 10.571,52 4.411,53 19.455,54 86.145,55 10.534,56 0.567,57 3.808,58 3.904,59 3.612,60 3.292,61 5.196,62 3.373,63 4.352,64 4.468,65 4.152,66 3.637,67 6.492,68 3.729,69 4.483,70 5.2}
{0 CHEMBL1980144,3 22.999,4 3.983,5 30.732,6 1.623,7 18.375,9 1.656,10 3.949,11 4.07,12 1,13 2.452,14 139.549,15 5,16 5,17 13670,19 1.928,20 5.278,21 44.75,22 3,23 4.046,24 120.5,25 1.207,26 3.277,27 3.293,28 9.279,29 1.948,30 2.524,31 8,32 95.166,33 2.749,34 13.736,35 0.22,36 2.867,37 27.31,38 3.517,39 3.517,40 1.181,42 7.07,43 6.311,44 6.635,45 4.917,47 1.426,48 7.011,49 1.201,50 1.735,51 13.367,52 2.729,53 7.446,54 117.735,55 8.719,56 0.667,57 3.994,58 4.11,59 3.724,60 3.59,61 5.23,62 3.571,63 4.444,64 4.582,65 4.094,66 3.959,67 5.71,68 3.918,69 4.652,70 5.2}
{0 CHEMBL1980163,3 17.031,4 3.955,5 26.812,6 1.552,7 2.328,9 1.561,10 3.929,11 4.067,13 -0.396,15 1,16 1,17 8610,18 1,19 1.948,20 4.964,21 39,22 2,23 3.975,24 51.582,25 1.914,26 2.95,27 2.916,28 6.906,29 1.937,30 2.085,31 3,32 76.518,33 2.735,34 10.603,35 0.218,36 2.687,37 18.296,38 2.275,39 2.275,40 1.181,42 7.444,43 6.185,44 6.573,45 4.658,47 1.41,48 7.013,49 1.015,50 1.428,51 11.72,52 5.045,53 25.447,54 98.708,55 7.795,56 0.821,57 3.845,58 3.952,59 3.469,60 3.465,61 4.988,62 3.447,63 4.31,64 4.448,65 3.777,66 3.813,67 5.424,68 3.775,69 4.528,70 5.2}
{0 CHEMBL1980297,3 20.566,4 3.973,5 25.279,6 1.845,7 45.852,9 1.864,10 3.931,11 4.141,12 6,13 2.304,14 153.48,15 5,16 5,17 20295,18 1,19 1.934,20 5.557,21 49.75,22 5,23 4.136,24 104.144,25 1.847,26 3.377,27 3.465,28 11.977,29 1.931,30 2.773,31 5,32 111.392,33 2.844,34 15.315,35 0.308,36 2.971,37 35.088,38 4.675,39 4.675,40 1.279,41 1,42 8.268,43 6.884,44 7.37,45 5.104,47 1.425,48 7.886,49 1.109,50 1.774,51 15.143,52 3.379,53 11.42,54 135.998,55 8.725,56 0.692,57 4.157,58 4.268,59 3.881,60 3.747,61 5.389,62 3.733,63 4.626,64 4.762,65 4.249,66 4.142,67 5.871,68 4.106,69 4.856,70 6.5}
{0 CHEMBL1980391,2 2.91,3 22.242,4 3.894,5 35.694,6 1.658,7 14.96,8 1,9 1.708,10 3.857,11 4.077,12 4,13 0.312,15 2,16 2,17 5979,18 2,19 1.735,20 5.042,21 35.5,22 2,23 3.977,24 68.122,26 3.017,27 2.933,28 7.641,29 1.73,30 2.09,31 2,32 79.36,33 2.694,34 10.921,35 0.168,36 2.755,37 19.287,38 2.991,39 2.991,40 1.104,42 7.947,43 6.541,44 7.037,45 4.77,47 1.42,48 7.507,49 0.988,50 1.789,51 7.72,52 4.496,53 20.214,54 94.81,55 9.149,56 0.607,57 3.81,58 3.915,59 3.549,60 3.389,61 5.029,62 3.396,63 4.297,64 4.436,65 3.953,66 3.77,67 5.497,68 3.773,69 4.511,70 5.6}
{0 CHEMBL1980489,3 17.245,4 3.915,5 26.297,6 1.435,9 1.428,10 3.887,11 3.997,12 3,13 0.348,15 2,16 2,17 5272,19 1.85,20 4.558,21 31.25,22 1,23 3.892,24 52.807,26 2.838,27 2.768,28 5.302,29 1.87,30 1.74,31 3,32 69.58,33 2.481,34 9.897,36 2.687,37 13.899,38 2.136,39 2.136,40 0.99,42 6.382,43 5.396,44 5.66,45 4.389,47 1.432,48 6.047,49 1.018,50 1.741,51 10,52 1.362,53 1.856,54 86.478,55 9.228,56 0.5,57 3.65,58 3.75,59 3.39,60 3.265,61 4.891,62 3.262,63 4.084,64 4.214,65 3.709,66 3.573,67 5.336,68 3.555,69 4.302,70 5.2}
{0 CHEMBL1980540,3 17.779,4 3.949,5 25.042,6 1.496,7 6.604,9 1.526,10 3.909,11 4.074,12 2,13 0.391,15 2,16 2,17 6987,19 1.646,20 4.993,21 35.25,22 1,23 4.004,24 69.593,25 1.098,26 3.203,27 2.895,28 5.329,29 1.67,30 2.037,31 3,32 78.736,33 2.53,34 10.012,35 0.037,36 2.559,37 14.213,38 2.542,39 2.542,40 0.918,42 7.087,43 6.165,44 6.518,45 4.507,47 1.387,48 6.747,49 1.039,50 1.987,51 9.76,52 4.133,53 17.081,54 84.976,55 10.479,56 0.63,57 3.712,58 3.809,59 3.533,60 3.265,61 5.045,62 3.307,63 4.211,64 4.327,65 4.011,66 3.616,67 6.083,68 3.654,69 4.392,70 5.2}
{0 CHEMBL1980704,3 7.704,4 4.148,5 5.981,6 1.676,7 25.686,9 1.66,10 4.097,11 4.2,13 -0.751,14 159.053,17 7933,18 2,19 1.708,20 5.153,21 37.5,22 2,23 4.092,24 52.685,25 4.211,26 3.102,27 3.032,28 7.529,29 1.689,30 2.298,32 80.69,33 2.692,34 11.77,35 0.248,36 2.729,37 20.118,38 2.976,39 2.976,40 1.173,41 1,42 8.129,43 6.922,44 7.39,45 4.652,47 1.441,48 7.855,49 1.007,50 1.549,51 9.68,52 4.693,53 22.024,54 101.199,55 8.636,56 0.862,57 3.834,58 3.942,59 3.601,60 3.486,61 4.953,62 3.449,63 4.33,64 4.474,65 4,66 3.88,67 5.393,68 3.832,69 4.49,70 5.2}
{0 CHEMBL1980715,3 18.012,4 3.876,5 26.48,6 1.777,7 3.798,9 1.745,10 3.813,11 3.956,12 2,13 5.224,15 8,16 8,17 9385,19 1.918,20 5.076,21 26.5,23 3.851,24 165.16,26 3.292,27 2.75,28 10.423,29 1.883,30 1.767,31 2,32 81.024,33 2.849,34 10.783,35 0.475,36 2.852,37 33.556,38 2.233,39 2.233,40 1.489,42 5.266,43 5.327,44 5.535,45 5.262,47 1.306,48 5.678,49 1.044,50 1.405,51 14.926,52 5.1,53 26.011,54 112.982,55 5.978,56 0.222,57 4.175,58 4.344,59 3.501,60 3.597,61 5.198,62 3.54,63 4.708,64 4.934,65 3.743,66 3.949,67 5.677,68 3.828,69 5.004,70 5.2}
{0 CHEMBL1980802,3 24.489,4 3.892,5 32.673,6 1.531,7 11.418,9 1.581,10 3.86,11 3.957,12 5,13 1.844,15 4,16 4,17 7565,19 1.831,20 5.211,21 37.25,23 3.852,24 100.652,26 3.082,27 3.196,28 7.62,29 1.846,30 2.154,31 1,32 86.497,33 2.622,34 12.14,35 0.1,36 2.705,37 23.645,38 3.325,39 3.325,40 1.039,42 6.298,43 5.849,44 6.004,45 4.91,47 1.342,48 6.256,49 0.92,50 1.93,51 9.259,52 1.036,53 1.074,54 91.857,55 9.556,56 0.414,57 3.873,58 3.958,59 3.612,60 3.32,61 5.194,62 3.378,63 4.361,64 4.471,65 3.995,66 3.673,67 5.704,68 3.719,69 4.673,70 5.2}
{0 CHEMBL1980896,3 16.823,4 3.956,5 19.516,6 1.595,7 2.328,9 1.608,10 3.931,11 4.095,12 5,13 0.953,14 122.751,15 3,16 3,17 10734,19 1.884,20 5.107,21 40.25,22 4,23 4.101,24 130.433,25 1.658,26 3.399,27 3.19,28 10.169,29 1.899,30 2.433,31 4,32 98.86,33 2.735,34 14.587,35 0.166,36 2.96,37 35.31,38 3.556,39 3.556,40 1.164,42 7.627,43 6.539,44 6.953,45 4.724,47 1.384,48 7.423,49 0.988,50 1.875,51 11.893,52 4.335,53 18.795,54 118.155,55 11.281,56 0.71,57 3.864,58 3.956,59 3.821,60 3.583,61 5.077,62 3.534,63 4.323,64 4.433,65 4.402,66 3.999,67 5.545,68 3.914,69 4.545,70 5.2}
{0 CHEMBL1980995,1 2,3 28.268,4 4.046,5 43.083,6 1.944,7 20.348,9 1.937,10 4.019,11 4.366,12 10,13 0.134,14 304.128,15 2,16 2,17 14300,18 2,19 2.003,20 5.566,21 44.25,22 6,23 4.286,24 39.82,25 8.778,26 3.272,27 3.521,28 19.901,29 2.019,30 2.862,31 3,32 106.923,33 2.985,34 16.322,35 0.67,36 3.042,37 52.426,38 5.664,39 5.664,40 1.577,41 4,42 9.871,43 7.931,44 8.645,45 5.717,47 1.536,48 9.319,49 0.967,50 1.512,51 8.057,52 3.82,53 14.59,54 131.874,55 7.649,56 0.571,57 4.263,58 4.37,59 3.882,60 3.832,61 5.286,62 3.826,63 4.873,64 5.021,65 4.374,66 4.318,67 5.859,68 4.309,69 5.178,70 9.4}
{0 CHEMBL1981045,3 41.719,4 3.98,5 59.321,6 1.891,9 1.904,10 3.949,11 4.081,12 5,13 1.337,15 4,16 4,17 43848,18 1,19 2.012,20 5.861,21 58,22 4,23 4.005,24 39.146,26 3.493,27 3.533,28 19.519,29 2.01,30 2.838,31 5,32 139.184,33 3.086,34 19.347,35 0.867,36 3.217,37 51.02,38 5.885,39 5.885,40 1.649,42 7.989,43 6.719,44 7.141,45 5.637,47 1.403,48 7.531,49 1.099,50 1.52,51 20.111,52 4.509,53 20.327,54 171.392,55 7.46,56 0.48,57 4.516,58 4.617,59 4.078,60 4.021,61 5.62,62 4.019,63 5.059,64 5.205,65 4.424,66 4.41,67 6.128,68 4.392,69 5.333,70 5.4}
{0 CHEMBL1981047,2 2.97,3 32.814,4 3.997,5 45.988,6 1.778,7 5.085,8 1,9 1.804,10 3.95,11 4.064,12 3,13 0.191,15 2,16 2,17 20629,18 1,19 1.918,20 5.261,21 43.75,22 3,23 3.923,24 60.71,26 3.268,27 3.233,28 12.881,29 1.917,30 2.374,31 3,32 107.609,33 2.925,34 15.23,35 0.649,36 2.932,37 41.766,38 4.309,39 4.309,40 1.541,41 1,42 6.89,43 6.105,44 6.445,45 5.413,47 1.449,48 6.621,49 1.067,50 1.566,51 15.257,52 2.658,53 7.062,54 135.925,55 7.302,56 0.436,57 4.281,58 4.409,59 3.837,60 3.772,61 5.348,62 3.763,63 4.847,64 5.036,65 4.197,66 4.18,67 5.857,68 4.153,69 5.069,70 7.3}
{0 CHEMBL1981079,1 1,2 2.953,3 9.215,4 3.881,5 6.806,6 1.547,7 22.373,8 1,9 1.575,10 3.846,11 4.079,12 5,13 2.761,15 5,16 5,17 4980,18 1,19 1.683,20 4.97,21 33.25,22 2,23 3.981,24 116.151,26 2.863,27 2.841,28 5.895,29 1.713,30 1.981,31 4,32 72.181,33 2.336,34 10.263,36 2.559,37 13.263,38 2.454,39 2.454,40 1.113,41 2,42 7.487,43 6.324,44 6.689,45 4.563,46 1,47 1.433,48 7.128,49 1.111,50 1.903,51 8.435,52 2.84,53 8.063,54 85.385,55 9.758,56 0.68,57 3.675,58 3.79,59 3.44,60 3.238,61 5.019,62 3.262,63 4.103,64 4.227,65 3.848,66 3.612,67 5.543,68 3.62,69 4.32,70 5.2}
{0 CHEMBL1981410,3 32.729,4 3.967,5 51.248,6 1.771,7 8.932,9 1.766,10 3.933,11 4.016,12 7,13 1.633,15 4,16 4,17 16905,19 1.937,20 5.322,21 46,22 2,23 3.913,24 122.4,26 3.249,27 3.366,28 8.671,29 1.963,30 2.601,31 5,32 100.951,33 2.843,34 12.945,35 0.279,36 2.939,37 26.519,38 4.11,39 4.11,40 1.208,42 7.249,43 6.271,44 6.613,45 5.09,46 1,47 1.396,48 6.897,49 1.095,50 1.785,51 13.636,52 3.893,53 15.158,54 121.45,55 8.594,56 0.5,57 4.1,58 4.227,59 3.765,60 3.589,61 5.329,62 3.618,63 4.621,64 4.786,65 4.193,66 3.957,67 6.251,68 3.972,69 4.841,70 5.2}
{0 CHEMBL1981720,3 11.723,4 3.893,5 18.33,6 1.474,7 6.604,9 1.501,10 3.834,11 4.069,12 2,13 0.41,15 2,16 2,17 4018,19 1.647,20 4.954,21 32.25,22 1,23 3.993,24 86.378,25 1.703,26 2.681,27 2.766,28 3.995,29 1.659,30 1.897,31 2,32 61.761,33 2.285,34 8.48,35 0.012,36 2.521,37 11.851,38 2.06,39 2.06,40 0.926,42 6.885,43 5.915,44 6.25,45 4.296,47 1.396,48 6.603,49 1.156,50 1.633,51 8.7,52 0.947,53 0.897,54 72.412,55 8.558,56 0.773,57 3.572,58 3.691,59 3.256,60 3.118,61 4.83,62 3.138,63 4.002,64 4.148,65 3.567,66 3.447,67 5.296,68 3.445,69 4.201,70 5.2}
{0 CHEMBL1981725,3 30.651,4 4.021,5 46.372,6 1.963,7 31.387,9 1.963,10 3.972,11 4.167,12 1,13 0.083,14 200.852,15 2,16 2,17 42981,18 2,19 2.025,20 5.864,21 66.25,22 2,23 4.039,24 93.913,25 0.734,26 3.622,27 3.702,28 16.916,29 2.031,30 2.98,31 4,32 140.562,33 3.192,34 19.587,35 0.826,36 3.206,37 46.854,38 5.973,39 5.973,40 1.726,41 1,42 8.523,43 7.079,44 7.597,45 5.591,47 1.439,48 8.11,49 1.052,50 1.537,51 18,52 7.069,53 49.964,54 177.726,55 7.757,56 0.654,57 4.48,58 4.603,59 4.092,60 4.042,61 5.599,62 4.031,63 5.003,64 5.175,65 4.462,66 4.432,67 6.104,68 4.406,69 5.269,70 6.1}
{0 CHEMBL1981782,2 2.855,3 14.116,4 3.947,5 19.189,6 1.58,7 6.42,8 1,9 1.618,10 3.925,11 4.097,12 2,13 1.114,14 96.601,15 3,16 3,17 5641,18 1,19 1.647,20 5.029,21 30.25,22 2,23 3.987,24 69.348,25 1.851,26 3.134,27 2.82,28 5.181,29 1.692,30 1.949,31 5,32 72.43,33 2.315,34 10.424,35 0.019,36 2.656,37 17.752,38 1.625,39 1.625,40 1.059,41 1,42 6.145,43 5.923,44 6.194,45 4.359,47 1.381,48 6.49,49 1.021,50 1.804,51 10.318,52 3.502,53 12.267,54 86.951,55 9.859,56 0.667,57 3.661,58 3.772,59 3.455,60 3.266,61 4.874,62 3.258,63 4.125,64 4.257,65 3.844,66 3.654,67 5.376,68 3.617,69 4.347,70 5.2}
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{0 CHEMBL1982135,3 21.187,4 3.967,5 24.899,6 1.702,7 7.962,9 1.696,10 3.934,11 4.141,12 7,13 1.629,14 164.887,15 4,16 4,17 11765,19 1.896,20 5.361,21 42,22 5,23 4.135,24 102.49,25 1.863,26 3.111,27 3.207,28 10.553,29 1.914,30 2.448,31 5,32 91.257,33 2.814,34 13.74,35 0.325,36 2.936,37 29.176,38 3.561,39 3.561,40 1.227,41 1,42 8.061,43 6.75,44 7.218,45 5.017,47 1.455,48 7.731,49 1.247,50 1.618,51 11.724,52 3.933,53 15.471,54 117.722,55 8.365,56 0.667,57 3.997,58 4.111,59 3.709,60 3.639,61 5.142,62 3.602,63 4.493,64 4.639,65 4.132,66 4.064,67 5.63,68 3.999,69 4.721,70 5.2}
{0 CHEMBL1982167,3 14.378,4 3.94,5 19.112,6 1.648,7 2.757,9 1.681,10 3.921,11 4.137,12 2,13 -0.323,14 109.102,15 1,16 1,17 9604,18 1,19 1.863,20 5.143,21 41.5,22 2,23 3.987,24 52.623,25 0.473,26 3.069,27 3.047,28 8.346,29 1.866,30 2.32,31 2,32 86.904,33 2.773,34 11.79,35 0.231,36 2.831,37 23.202,38 2.844,39 2.844,40 1.213,41 1,42 7.747,43 6.599,44 7.035,45 4.922,47 1.427,48 7.47,49 1.018,50 1.609,51 10.821,52 3.044,53 9.268,54 104.649,55 8.14,56 0.71,57 3.955,58 4.058,59 3.603,60 3.489,61 5.163,62 3.501,63 4.433,64 4.574,65 3.938,66 3.833,67 5.605,68 3.84,69 4.577,70 5.2}
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{0 CHEMBL1982506,3 12.785,4 3.71,5 12.791,6 1.539,9 1.525,10 3.697,11 4.12,13 -0.198,14 52.876,15 1,16 1,17 2754,19 1.561,20 4.254,21 27,22 3,23 4.043,24 34.796,25 1.326,26 2.743,27 2.576,28 5.155,29 1.626,30 1.571,31 1,32 59.156,33 2.094,34 8.241,36 2.272,37 14.086,38 0.516,39 0.516,40 0.866,42 7.647,43 6.48,44 6.942,45 4.411,47 1.465,48 7.322,49 1.286,50 1.709,51 6.947,52 0.81,53 0.656,54 65.167,55 8.905,56 0.524,57 3.531,58 3.607,59 3.239,60 3.039,61 4.814,62 3.086,63 4.032,64 4.149,65 3.62,66 3.409,67 5.329,68 3.458,69 4.115,70 5.4}
{0 CHEMBL1982541,3 24.827,4 3.923,5 28.993,6 1.619,7 4.815,9 1.637,10 3.904,11 3.98,12 2,13 0.981,15 3,16 3,17 7824,19 1.817,20 4.982,21 35.75,22 2,23 3.871,24 98.753,26 3.063,27 2.966,28 8.11,29 1.793,30 2.022,31 3,32 82.456,33 2.729,34 11.241,35 0.469,36 2.86,37 26.502,38 1.847,39 1.847,40 1.417,42 6.028,43 5.931,44 6.071,45 4.976,47 1.371,48 5.883,49 1.107,50 1.639,51 10.481,52 2.248,53 5.054,54 100.926,55 7.56,56 0.429,57 3.978,58 4.092,59 3.533,60 3.43,61 5.206,62 3.439,63 4.478,64 4.649,65 3.851,66 3.745,67 5.635,68 3.746,69 4.641,70 5.2}
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{0 CHEMBL1982610,3 10.269,4 3.851,5 10.828,6 1.136,7 27.818,9 1.165,10 3.822,11 4.058,12 2,13 -0.171,14 62.384,15 1,16 1,17 2637,18 1,19 1.472,20 4.644,21 25.25,22 1,23 4.011,24 36.695,26 2.857,27 2.47,28 4.933,29 1.472,30 1.446,32 70.608,33 2.023,34 9.644,36 2.23,37 25.296,38 0.38,39 0.38,40 0.803,42 6.997,43 6.02,44 6.352,45 3.844,47 1.367,48 6.76,49 0.963,50 1.947,51 6.611,52 2.692,53 7.248,54 76.921,55 14.863,56 0.55,57 3.383,58 3.47,59 3.544,60 3.119,61 4.615,62 3.067,63 3.845,64 3.951,65 4.044,66 3.547,67 5.142,68 3.456,69 4.04,70 5.2}
{0 CHEMBL1982660,3 20.491,4 3.949,5 29.053,6 1.529,7 6.604,9 1.573,10 3.909,11 4.076,12 3,13 0.365,15 2,16 2,17 7868,19 1.681,20 5.042,21 36.5,22 1,23 3.995,24 69.593,25 1.25,26 2.985,27 2.993,28 6.095,29 1.705,30 2.215,31 3,32 79.803,33 2.554,34 9.917,35 0.123,36 2.641,37 17.918,38 2.539,39 2.539,40 1.126,42 7.149,43 6.246,44 6.576,45 4.704,47 1.39,48 6.854,49 1.194,50 1.892,51 10.962,52 3.452,53 11.917,54 86.634,55 9.291,56 0.607,57 3.81,58 3.912,59 3.532,60 3.295,61 5.119,62 3.348,63 4.317,64 4.449,65 3.976,66 3.626,67 6.119,68 3.68,69 4.452,70 5.2}
{0 CHEMBL1982711,1 1,2 3.078,3 4.426,4 3.892,5 2.992,6 1.453,7 11.771,8 1,9 1.478,10 3.864,11 4.134,12 2,13 1.148,14 69.919,15 3,16 3,17 3132,18 1,19 1.647,20 4.513,21 27.75,22 4,23 4.049,24 66.468,25 1.609,26 2.687,27 2.511,28 5.233,29 1.668,30 1.5,31 3,32 59.938,33 2.206,34 8.776,36 2.223,37 15,38 1.765,39 1.765,40 0.838,42 7.49,43 6.335,44 6.788,45 4.322,47 1.462,48 7.222,49 1.153,50 1.71,51 7.842,52 2.217,53 4.916,54 73.462,55 9.37,56 0.762,57 3.504,58 3.609,59 3.258,60 3.144,61 4.76,62 3.137,63 3.945,64 4.062,65 3.651,66 3.539,67 5.25,68 3.511,69 4.157,70 6.4}
{0 CHEMBL1982753,3 24.517,4 3.923,5 43.006,6 1.539,7 4.656,9 1.563,10 3.876,11 3.996,12 6,13 3.49,15 6,16 6,17 6797,18 1,19 1.901,20 5.299,21 30.5,22 1,23 3.886,24 118.601,26 3.021,27 2.683,28 7.95,29 1.897,30 1.738,31 7,32 77.704,33 2.785,34 11.386,35 0.177,36 2.884,37 28.895,38 2.718,39 2.718,40 1.224,42 6.637,43 5.753,44 5.993,45 4.985,46 2,47 1.406,48 6.366,49 0.869,50 1.623,51 9.48,52 3.385,53 11.457,54 100.626,55 7.657,56 0.444,57 3.942,58 4.084,59 3.513,60 3.472,61 5.044,62 3.443,63 4.466,64 4.642,65 3.891,66 3.88,67 5.565,68 3.813,69 4.812,70 5.6}
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{0 CHEMBL1982957,1 1,2 3.21,3 2.824,4 3.941,5 2.351,6 1.619,7 11.771,8 1,9 1.627,10 3.918,11 4.15,12 4,13 0.915,14 88.275,15 3,16 3,17 6368,18 1,19 1.869,20 5.029,21 36.5,22 6,23 4.068,24 66.468,25 1.881,26 2.84,27 2.826,28 7.356,29 1.885,30 1.975,31 3,32 72.096,33 2.61,34 10.567,35 0.218,36 2.61,37 18.12,38 2.522,39 2.522,40 1.181,42 8.076,43 6.652,44 7.194,45 4.698,47 1.505,48 7.677,49 1.061,50 1.444,51 9.333,52 3.071,53 9.433,54 93.793,55 8.035,56 0.815,57 3.777,58 3.888,59 3.417,60 3.43,61 4.978,62 3.41,63 4.228,64 4.355,65 3.772,66 3.824,67 5.44,68 3.783,69 4.462,70 7}
{0 CHEMBL1982980,1 1,2 3.13,3 16.577,4 3.913,5 14.81,6 1.797,7 4.901,8 1,9 1.778,10 3.904,11 4.162,12 3,13 0.194,14 124.827,15 2,16 2,17 10164,18 1,19 1.879,20 5.157,21 35,22 3,23 4.088,24 16.786,25 1.79,26 3.353,27 2.997,28 13.514,29 1.869,30 2.212,31 3,32 91.667,33 2.826,34 13.349,35 0.469,36 3,37 37.738,38 3.19,39 3.19,40 1.417,41 2,42 7.183,43 6.49,44 6.841,45 5.213,47 1.424,48 7.162,49 1.092,50 1.569,51 11.172,52 7.539,53 56.843,54 117.745,55 8.315,56 0.516,57 4.03,58 4.129,59 3.677,60 3.636,61 5.163,62 3.597,63 4.546,64 4.698,65 4.079,66 4.025,67 5.698,68 3.964,69 4.768,70 5.5}
{0 CHEMBL1982992,3 13.245,4 3.892,5 22.275,6 1.21,7 14.099,9 1.228,10 3.871,11 4.055,12 1,13 0.483,14 63.433,15 2,16 2,17 2749,18 1,19 1.456,20 4.7,21 27,22 1,23 4.038,24 51.582,25 1.63,26 2.784,27 2.639,28 3.789,29 1.396,30 1.704,31 5,32 62.034,33 2.013,34 8.878,36 2.195,37 9.77,38 0.081,39 0.081,40 0.735,42 6.917,43 6.018,44 6.383,45 3.981,46 1,47 1.348,48 6.818,49 1.004,50 1.94,51 6.722,52 3.459,53 11.963,54 73.29,55 10.683,56 0.8,57 3.424,58 3.503,59 3.344,60 3.111,61 4.686,62 3.077,63 3.841,64 3.937,65 3.738,66 3.475,67 5.12,68 3.424,69 4.011,70 5.2}
{0 CHEMBL1983006,3 21.471,4 3.898,5 26.739,6 1.537,7 6.604,9 1.534,10 3.853,11 3.965,12 2,13 1.162,15 3,16 3,17 5949,19 1.554,20 4.948,21 35.75,22 1,23 3.876,24 100.652,26 3.075,27 2.936,28 5.082,29 1.617,30 1.814,31 2,32 76.736,33 2.473,34 10.527,36 2.582,37 16.315,38 1.476,39 1.476,40 0.985,42 5.691,43 5.806,44 5.91,45 4.472,47 1.357,48 5.978,49 1.321,50 1.966,51 10.833,52 1.321,53 1.744,54 81.883,55 10.228,56 0.48,57 3.673,58 3.758,59 3.466,60 3.155,61 5.107,62 3.216,63 4.09,64 4.202,65 3.825,66 3.469,67 5.629,68 3.517,69 4.266,70 5.2}
{0 CHEMBL1983025,3 23.654,4 3.968,5 31.4,6 1.89,7 53.182,9 1.886,10 3.934,11 4.121,12 9,13 3.021,14 160.374,15 6,16 6,17 19313,19 1.974,20 5.308,21 46.25,22 5,23 4.129,24 118.601,25 1.879,26 3.381,27 3.466,28 14.362,29 1.958,30 2.773,31 8,32 107.811,33 3.039,34 15.873,35 0.611,36 3.04,37 40.234,38 4.591,39 4.591,40 1.466,41 1,42 8.13,43 6.808,44 7.276,45 5.279,47 1.431,48 7.783,49 1.072,50 1.514,51 14.743,52 5.357,53 28.702,54 145.951,55 7.558,56 0.579,57 4.234,58 4.363,59 3.84,60 3.849,61 5.364,62 3.793,63 4.725,64 4.895,65 4.213,66 4.244,67 5.82,68 4.161,69 4.975,70 6}
{0 CHEMBL1983111,3 36.698,4 4,5 62.329,6 1.852,7 4.227,9 1.879,10 3.946,11 4.106,12 7,13 0.899,14 136.071,15 3,16 3,17 17398,18 1,19 1.887,20 5.349,21 39.5,22 3,23 4.017,24 90.728,26 3.305,27 3.451,28 10.496,29 1.907,30 2.617,31 6,32 103.253,33 2.833,34 14.122,35 0.636,36 2.884,37 33.195,38 5.249,39 5.249,40 1.427,42 7.35,43 6.276,44 6.631,45 5.234,46 1,47 1.445,48 7.037,49 0.962,50 1.774,51 13.235,52 3.237,53 10.476,54 120.65,55 8.043,56 0.316,57 4.206,58 4.332,59 3.823,60 3.691,61 5.321,62 3.704,63 4.804,64 4.982,65 4.279,66 4.103,67 6.291,68 4.095,69 5.031,70 7.8}
{0 CHEMBL1983195,3 12.346,4 3.879,5 15.857,6 1.638,7 38.716,9 1.587,10 3.86,11 4.11,13 -0.323,15 1,16 1,17 9423,19 1.717,20 4.679,21 39,23 3.994,24 54.706,25 1.349,26 3.04,27 3.147,28 8.409,29 1.727,30 2.458,31 2,32 86.335,33 2.762,34 11.877,35 0.3,36 2.839,37 26.087,38 2.896,39 2.896,40 1.314,41 2,42 8.252,43 6.738,44 7.288,45 4.981,47 1.438,48 7.806,49 0.994,50 1.597,51 10.321,52 3.998,53 15.986,54 102.809,55 7.843,56 0.677,57 3.99,58 4.097,59 3.607,60 3.508,61 5.145,62 3.515,63 4.496,64 4.656,65 3.961,66 3.857,67 5.634,68 3.853,69 4.673,70 5.2}
{0 CHEMBL1983309,3 17.748,4 3.937,5 22.442,6 1.552,7 0.746,9 1.545,10 3.927,11 4.06,12 1,13 -0.241,14 95.703,15 1,16 1,17 5556,19 1.607,20 4.906,21 32,22 1,23 4.048,24 34.796,25 1.7,26 3.081,27 3.002,28 6.545,29 1.631,30 2.215,31 2,32 77.488,33 2.637,34 10.985,35 0.155,36 2.624,37 16.818,38 1.186,39 1.186,40 1.095,41 1,42 6.843,43 6.203,44 6.521,45 4.493,47 1.355,48 6.8,49 1.111,50 1.868,51 10,52 3.872,53 14.991,54 89.626,55 9.69,56 0.64,57 3.716,58 3.79,59 3.548,60 3.336,61 4.935,62 3.312,63 4.193,64 4.305,65 3.96,66 3.686,67 5.42,68 3.652,69 4.286,70 5.2}
{0 CHEMBL1983449,3 18.479,4 3.94,5 25.885,6 1.542,9 1.516,10 3.91,11 4.005,12 5,13 0.278,15 2,16 2,17 5841,19 1.838,20 4.834,21 31.5,22 3,23 3.926,24 50.357,26 2.815,27 2.82,28 6.874,29 1.855,30 1.948,32 68.868,33 2.589,34 9.997,35 0.218,36 2.687,37 19.18,38 2.136,39 2.136,40 1.181,42 7.06,43 5.866,44 6.229,45 4.672,47 1.434,48 6.656,49 1.116,50 1.539,51 10.087,52 2.317,53 5.368,54 90.445,55 7.684,56 0.48,57 3.79,58 3.896,59 3.372,60 3.357,61 5.001,62 3.343,63 4.22,64 4.388,65 3.667,66 3.658,67 5.366,68 3.631,69 4.379,70 5.2}
{0 CHEMBL1983534,3 9.712,4 3.937,5 15.848,6 1.619,7 0.746,9 1.61,10 3.904,11 4.088,12 1,13 -0.369,14 89.058,15 1,16 1,17 6623,19 1.828,20 4.774,21 35,22 3,23 4.072,24 51.582,25 2.221,26 2.88,27 2.908,28 7.106,29 1.826,30 2.077,31 2,32 73.738,33 2.735,34 10.579,35 0.218,36 2.687,37 17.936,38 2.136,39 2.136,40 1.18,41 1,42 7.584,43 6.316,44 6.832,45 4.511,47 1.415,48 7.316,49 1.165,50 1.457,51 10.696,52 4.216,53 17.77,54 96.425,55 8.354,56 0.846,57 3.747,58 3.851,59 3.485,60 3.454,61 4.862,62 3.395,63 4.213,64 4.349,65 3.858,66 3.826,67 5.284,68 3.744,69 4.405,70 5.2}
{0 CHEMBL1983923,2 2.947,3 24.019,4 3.953,5 41.924,6 1.785,7 9.741,8 1,9 1.787,10 3.903,11 4.006,12 1,13 0.247,15 2,16 2,17 10136,18 2,19 1.87,20 5.02,21 37.5,22 1,23 3.889,24 91.156,26 3.036,27 3.031,28 7.776,29 1.884,30 2.196,31 4,32 85.323,33 2.826,34 12.321,35 0.573,36 2.844,37 26.739,38 3.134,39 3.134,40 1.513,41 1,42 7.293,43 5.986,44 6.445,45 5.023,47 1.401,48 6.851,49 1.001,50 1.426,51 10.286,52 4.016,53 16.124,54 113.771,55 7.085,56 0.548,57 4.068,58 4.214,59 3.606,60 3.566,61 5.117,62 3.545,63 4.596,64 4.806,65 3.933,66 3.933,67 5.588,68 3.891,69 4.802,70 5.5}
{0 CHEMBL1983932,3 17.68,4 3.91,5 24.957,6 1.514,7 9.23,9 1.544,10 3.87,11 4.075,12 4,13 0.364,15 2,16 2,17 5729,19 1.678,20 5.038,21 34.25,22 1,23 3.994,24 115.547,25 1.563,26 2.986,27 2.986,28 6.48,29 1.694,30 2.2,31 3,32 78.656,33 2.542,34 10.733,35 0.066,36 2.642,37 23.161,38 2.193,39 2.193,40 0.999,42 7.095,43 6.171,44 6.457,45 4.547,47 1.358,48 6.83,49 1.084,50 1.778,51 10.043,52 3.064,53 9.387,54 89.497,55 10.368,56 0.68,57 3.713,58 3.816,59 3.558,60 3.287,61 4.939,62 3.288,63 4.169,64 4.302,65 3.976,66 3.624,67 5.438,68 3.61,69 4.342,70 5.2}
{0 CHEMBL1983945,1 1,2 3.208,3 11.193,4 3.992,5 13.185,6 1.851,7 13.915,8 1,9 1.853,10 3.956,11 4.13,12 5,13 1.595,14 131.622,15 4,16 4,17 12615,18 1,19 1.933,20 5.404,21 42,22 4,23 4.047,24 101.265,25 2.119,26 3.168,27 3.046,28 8.813,29 1.94,30 2.318,31 5,32 87.848,33 2.735,34 12.452,35 0.299,36 2.77,37 24.176,38 3.003,39 3.003,40 1.242,41 1,42 7.018,43 6.231,44 6.611,45 4.934,47 1.444,48 6.941,49 1.016,50 1.486,51 13.138,52 2.114,53 4.469,54 113.915,55 7.67,56 0.688,57 4.01,58 4.137,59 3.601,60 3.597,61 5.181,62 3.578,63 4.478,64 4.633,65 3.921,66 3.976,67 5.599,68 3.93,69 4.739,70 5.3}
{0 CHEMBL1983963,3 17.311,4 3.968,5 24.218,6 1.597,7 18.375,9 1.639,10 3.934,11 4.11,12 6,13 1.698,14 118.128,15 4,16 4,17 10041,19 1.898,20 5.124,21 41,22 4,23 3.998,24 102.49,25 1.118,26 2.966,27 3.165,28 7.083,29 1.93,30 2.381,31 5,32 82.083,33 2.73,34 11.982,35 0.218,36 2.742,37 21.511,38 2.689,39 2.689,40 1.181,42 7.561,43 6.463,44 6.868,45 4.814,47 1.456,48 7.339,49 1.131,50 1.606,51 11.852,52 2.904,53 8.435,54 103.173,55 8.169,56 0.733,57 3.913,58 4.029,59 3.555,60 3.462,61 5.137,62 3.472,63 4.368,64 4.51,65 3.914,66 3.838,67 5.607,68 3.824,69 4.559,70 5.3}
{0 CHEMBL1984038,3 29.987,4 4.006,5 41.012,6 1.873,9 1.889,10 4.002,11 4.104,12 6,13 0.773,15 3,16 3,17 23701,18 1,19 1.94,20 5.483,21 56.5,22 5,23 4.042,24 52.426,26 3.258,27 3.557,28 17.262,29 1.914,30 2.894,31 7,32 127.591,33 3.006,34 19.035,35 0.574,36 3.111,37 44.014,38 5.742,39 5.742,40 1.571,42 8.242,43 6.878,44 7.354,45 5.459,47 1.445,48 7.792,49 1.079,50 1.658,51 13.949,52 4.706,53 22.145,54 150.239,55 8.268,56 0.558,57 4.306,58 4.393,59 4.067,60 3.878,61 5.453,62 3.861,63 4.822,64 4.949,65 4.346,66 4.247,67 6.118,68 4.231,69 5.04,70 5.2}
{0 CHEMBL1984039,1 1,2 3.2,3 17.489,4 4.091,5 18.462,6 1.823,7 7.658,8 1,9 1.84,10 4.073,11 4.184,12 3,13 0.118,14 136.125,15 2,16 2,17 17390,18 2,19 1.888,20 5.599,21 45.25,22 6,23 4.104,24 35.225,25 3.986,26 3.309,27 3.21,28 14.916,29 1.886,30 2.429,31 3,32 102.253,33 2.961,34 15.04,35 0.68,36 3.008,37 37.33,38 3.832,39 3.832,40 1.571,41 3,42 8.095,43 6.937,44 7.384,45 5.354,47 1.484,48 7.817,49 1.171,50 1.464,51 12.647,52 5.869,53 34.44,54 133.815,55 7.436,56 0.684,57 4.21,58 4.32,59 3.78,60 3.79,61 5.325,62 3.766,63 4.73,64 4.89,65 4.161,66 4.19,67 5.845,68 4.151,69 4.945,70 5.5}
{0 CHEMBL1984044,2 3.234,3 14.545,4 3.897,5 16.245,6 1.638,7 2.144,8 1,9 1.649,10 3.871,11 4.135,12 1,13 0.936,14 115.791,15 3,16 3,17 8367,18 1,19 1.935,20 4.814,21 32.75,22 2,23 4.023,24 69.593,25 1.38,26 3.089,27 2.884,28 9.971,29 1.923,30 1.965,31 3,32 78.909,33 2.735,34 10.888,35 0.238,36 2.687,37 30.982,38 2.437,39 2.437,40 1.315,41 1,42 7.665,43 6.439,44 6.915,45 5.143,47 1.413,48 7.335,49 1.202,50 1.514,51 11.846,52 3.093,53 9.565,54 102.141,55 7.05,56 0.571,57 3.995,58 4.127,59 3.508,60 3.499,61 5.085,62 3.476,63 4.519,64 4.709,65 3.839,66 3.856,67 5.591,68 3.814,69 4.733,70 5.3}
{0 CHEMBL1984162,3 31.057,4 4.103,5 36.87,6 1.895,7 7.164,9 1.916,10 4.082,11 4.159,12 6,13 0.773,14 345.132,15 3,16 3,17 27510,18 2,19 2.024,20 5.5,21 49.5,22 4,23 4.024,24 119.704,25 3.18,26 3.395,27 3.501,28 13.214,29 2.024,30 2.775,31 3,32 119.864,33 3.046,34 17.321,35 0.739,36 3.075,37 43.794,38 5.488,39 5.488,40 1.527,41 1,42 8.28,43 7.047,44 7.504,45 5.496,47 1.443,48 7.984,49 0.964,50 1.562,51 16.333,52 5.189,53 26.922,54 150.581,55 7.329,56 0.591,57 4.391,58 4.514,59 3.954,60 3.887,61 5.459,62 3.881,63 4.953,64 5.128,65 4.334,66 4.293,67 5.965,68 4.268,69 5.171,70 6.8}
{0 CHEMBL1984191,2 2.955,3 2.167,4 3.849,5 0.907,6 1.424,7 2.757,8 1,9 1.422,10 3.817,11 4.044,12 1,13 -0.198,15 1,16 1,17 3140,18 1,19 1.543,20 4.755,21 28.5,22 2,23 3.953,24 66.897,26 2.656,27 2.5,28 3.929,29 1.598,30 1.5,31 2,32 63.783,33 2.092,34 8.926,36 2.493,37 9.074,38 1.942,39 1.942,40 0.77,41 1,42 7.059,43 6.015,44 6.407,45 4.198,47 1.376,48 6.773,49 1.06,50 1.714,51 7.684,52 3.581,53 12.822,54 75.829,55 10.783,56 0.81,57 3.451,58 3.547,59 3.33,60 3.114,61 4.709,62 3.107,63 3.882,64 4.001,65 3.712,66 3.488,67 5.125,68 3.463,69 4.034,70 5.2}
{0 CHEMBL1984206,3 16.608,4 3.904,5 17.782,6 1.577,7 4.815,9 1.604,10 3.865,11 3.961,12 1,13 1.114,15 3,16 3,17 4667,19 1.735,20 4.703,21 31.75,22 2,23 3.834,24 115.538,26 2.864,27 2.747,28 4.797,29 1.711,30 1.5,31 3,32 67.399,33 2.528,34 8.888,35 0.09,36 2.687,37 16.687,38 1.36,39 1.36,40 1.153,42 5.749,43 5.639,44 5.839,45 4.559,47 1.374,48 5.64,49 1.132,50 1.674,51 9.455,52 0.753,53 0.567,54 81.425,55 8.036,56 0.522,57 3.71,58 3.831,59 3.319,60 3.205,61 4.992,62 3.218,63 4.17,64 4.337,65 3.612,66 3.514,67 5.396,68 3.509,69 4.36,70 5.2}
{0 CHEMBL1984274,3 19.153,4 3.998,5 15.702,6 1.614,7 33.326,9 1.667,10 3.974,11 4.077,12 5,13 0.884,15 3,16 3,17 13771,18 1,19 1.988,20 5.252,21 48.5,22 3,23 3.958,24 87.542,26 3.166,27 3.21,28 6.174,29 1.976,30 2.49,31 2,32 98.28,33 2.735,34 13.924,35 0.218,36 2.799,37 17.829,38 3.979,39 3.979,40 1.181,42 8.074,43 6.679,44 7.168,45 4.822,47 1.482,48 7.616,49 0.99,50 1.662,51 10.406,52 4.442,53 19.727,54 120.012,55 8.843,56 0.639,57 4.022,58 4.126,59 3.729,60 3.598,61 5.308,62 3.616,63 4.466,64 4.582,65 4.099,66 3.97,67 5.755,68 3.979,69 4.723,70 5.3}
{0 CHEMBL1984363,2 2.915,3 16.28,4 3.983,5 20.515,6 1.649,7 19.432,8 1,9 1.698,10 3.95,11 4.136,12 5,13 1.627,14 124.748,15 4,16 4,17 10988,18 1,19 1.912,20 5.198,21 39.75,22 5,23 4.053,24 84.234,25 1.771,26 3.003,27 3.261,28 8.576,29 1.905,30 2.487,31 6,32 84.097,33 2.735,34 11.982,35 0.279,36 2.808,37 23.372,38 3.521,39 3.521,40 1.248,41 1,42 7.526,43 6.474,44 6.896,45 4.914,47 1.471,48 7.321,49 1.087,50 1.58,51 12.071,52 4.296,53 18.455,54 109.285,55 7.967,56 0.71,57 3.959,58 4.081,59 3.577,60 3.554,61 5.166,62 3.54,63 4.434,64 4.581,65 3.946,66 3.942,67 5.626,68 3.91,69 4.677,70 5.5}
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{0 CHEMBL1985074,3 10.33,4 3.756,5 8.139,6 1.317,9 1.298,10 3.717,11 4.1,12 2,13 -0.225,15 1,16 1,17 2480,19 1.51,20 4.556,21 23.5,22 2,23 4.046,24 34.796,25 1.7,26 2.828,27 2.278,28 5.682,29 1.434,30 1.201,31 1,32 62.408,33 2.17,34 8.668,36 2.447,37 20.701,38 0.334,39 0.334,40 0.829,42 7.424,43 6.338,44 6.744,45 4.234,47 1.407,48 7.102,49 1.013,50 1.818,51 6.889,52 2.934,53 8.607,54 74.105,55 9.613,56 0.55,57 3.493,58 3.583,59 3.34,60 3.2,61 4.611,62 3.137,63 4.014,64 4.148,65 3.719,66 3.602,67 5.133,68 3.518,69 4.222,70 5.2}
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{0 CHEMBL1985095,1 1,2 3.132,3 9.628,4 4.1,5 10.917,6 1.774,7 20.063,8 1,9 1.802,10 4.071,11 4.205,12 5,13 2.376,14 329.488,15 5,16 5,17 13786,18 2,19 1.971,20 5.492,21 47.5,22 5,23 4.168,24 134.591,25 5.735,26 3.35,27 3.455,28 9.633,29 1.965,30 2.679,31 2,32 101.011,33 2.851,34 15.464,35 0.333,36 2.923,37 24.241,38 4.346,39 4.346,40 1.356,41 4,42 8.889,43 7.308,44 7.89,45 4.967,47 1.484,48 8.465,49 1.134,50 1.672,51 10.25,52 3.655,53 13.357,54 126.486,55 8.97,56 0.811,57 4.049,58 4.162,59 3.815,60 3.683,61 5.264,62 3.668,63 4.523,64 4.653,65 4.24,66 4.121,67 5.741,68 4.083,69 4.719,70 6.4}
{0 CHEMBL1985311,2 2.776,3 19.558,4 3.979,5 26.018,6 1.694,7 19.236,8 1,9 1.746,10 3.948,11 4.13,12 8,13 3.305,14 129.381,15 6,16 6,17 11871,18 1,19 1.881,20 5.299,21 41.5,22 4,23 4.046,24 102.245,25 1.61,26 3.127,27 3.343,28 7.938,29 1.879,30 2.624,31 6,32 88.44,33 2.735,34 12.151,35 0.227,36 2.705,37 22.719,38 3.602,39 3.602,40 1.181,42 7.545,43 6.495,44 6.908,45 4.909,47 1.448,48 7.331,49 1.124,50 1.706,51 12.103,52 2.801,53 7.846,54 108.379,55 8.329,56 0.688,57 3.981,58 4.101,59 3.621,60 3.524,61 5.243,62 3.535,63 4.434,64 4.567,65 3.986,66 3.912,67 5.715,68 3.901,69 4.681,70 5.9}
{0 CHEMBL1985406,2 2.758,3 10.255,4 3.91,5 11.42,6 1.68,7 29.92,8 1,9 1.711,10 3.879,11 4.126,12 3,13 0.321,14 88.662,15 2,16 2,17 5220,18 1,19 1.849,20 5.018,21 30.25,22 3,23 4.034,24 51.337,25 1.285,26 2.875,27 2.863,28 6.084,29 1.844,30 2.023,31 3,32 70.205,33 2.518,34 8.862,35 0.045,36 2.626,37 17.212,38 1.856,39 1.856,40 1.039,42 7.614,43 6.389,44 6.898,45 4.591,47 1.443,48 7.348,49 0.964,50 1.699,51 9.304,52 3.908,53 15.275,54 82.956,55 8.299,56 0.64,57 3.753,58 3.87,59 3.395,60 3.311,61 4.99,62 3.312,63 4.251,64 4.406,65 3.763,66 3.68,67 5.496,68 3.667,69 4.502,70 5.3}
{0 CHEMBL1985566,3 40.342,4 3.981,5 57.472,6 1.903,9 1.906,10 3.951,11 4.082,12 2,13 0.078,15 2,16 2,17 36363,18 1,19 2.013,20 5.686,21 58.25,22 5,23 4.011,24 70.205,26 3.372,27 3.533,28 18.446,29 2.011,30 2.839,31 5,32 128.982,33 3.041,34 18.045,35 0.825,36 3.201,37 47.033,38 4.519,39 4.519,40 1.576,42 7.985,43 6.721,44 7.15,45 5.574,47 1.42,48 7.546,49 1.167,50 1.494,51 18.762,52 5.489,53 30.126,54 162.961,55 7.577,56 0.511,57 4.407,58 4.512,59 3.996,60 3.972,61 5.517,62 3.958,63 4.947,64 5.098,65 4.34,66 4.365,67 5.992,68 4.333,69 5.212,70 5.2}
{0 CHEMBL1985580,3 11.193,4 3.99,5 13.185,6 1.797,9 1.799,10 3.954,11 4.099,12 8,13 0.801,15 3,16 3,17 13619,19 1.928,20 5.47,21 44,22 5,23 4.06,24 84.479,25 2.258,26 3.179,27 3.118,28 10.05,29 1.935,30 2.427,31 2,32 90.394,33 2.735,34 12.805,35 0.344,36 2.8,37 25.751,38 3.013,39 3.013,40 1.287,42 7.375,43 6.3,44 6.675,45 5.004,47 1.442,48 7.013,49 1.034,50 1.427,51 13.233,52 2.729,53 7.447,54 119.279,55 7.587,56 0.697,57 4.036,58 4.157,59 3.621,60 3.658,61 5.201,62 3.628,63 4.503,64 4.654,65 3.933,66 4.031,67 5.616,68 3.975,69 4.783,70 5.2}
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{0 CHEMBL1986186,3 14.61,4 3.864,5 22.014,6 1.546,9 1.5,10 3.813,11 3.984,12 7,13 0.361,15 2,16 2,17 3351,19 1.808,20 4.105,21 23.5,23 3.858,24 50.357,26 2.687,27 2.5,28 6.705,29 1.82,30 1.5,32 58.292,33 2.591,34 9.288,35 0.218,36 2.499,37 19.409,38 0.488,39 0.488,40 1.181,42 6.496,43 5.589,44 5.94,45 4.687,47 1.463,48 6.228,49 0.741,50 1.54,51 7.95,52 1.604,53 2.573,54 78.31,55 7.009,56 0.286,57 3.741,58 3.863,59 3.231,60 3.238,61 4.905,62 3.212,63 4.213,64 4.413,65 3.562,66 3.552,67 5.281,68 3.516,69 4.45,70 5.2}
{0 CHEMBL1986263,3 21.932,4 3.895,5 31.6,6 1.6,7 4.969,9 1.56,10 3.869,11 3.976,12 1,13 -0.26,15 1,16 1,17 6155,18 1,19 1.813,20 5.005,21 32,23 3.874,24 54.706,26 3.034,27 2.722,28 7.99,29 1.81,30 1.796,31 2,32 77.29,33 2.624,34 10.819,35 0.214,36 2.65,37 27.281,38 2.536,39 2.536,40 1.113,42 6.818,43 5.812,44 6.159,45 4.811,47 1.368,48 6.516,49 1.511,50 1.713,51 10.083,52 3.318,53 11.007,54 97.172,55 8.154,56 0.462,57 3.843,58 3.955,59 3.537,60 3.401,61 4.988,62 3.368,63 4.344,64 4.516,65 3.934,66 3.74,67 5.462,68 3.696,69 4.466,70 6.1}
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{0 CHEMBL1986781,3 18.58,4 3.962,5 30.45,6 1.69,7 43.158,9 1.721,10 3.899,11 4.17,12 2,13 -0.297,15 1,16 1,17 13425,18 1,19 1.906,20 5.071,21 42,22 1,23 3.997,24 72.778,25 0.43,26 3.152,27 3.265,28 9.278,29 1.923,30 2.373,31 2,32 95.626,33 2.804,34 13.283,35 0.523,36 2.866,37 29.52,38 3.959,39 3.959,40 1.352,41 1,42 8.136,43 6.762,44 7.276,45 5.134,47 1.445,48 7.696,49 0.991,50 1.703,51 12.194,52 2.847,53 8.107,54 113.137,55 8.086,56 0.6,57 4.088,58 4.204,59 3.73,60 3.591,61 5.236,62 3.607,63 4.634,64 4.803,65 4.121,66 3.991,67 5.79,68 3.989,69 4.871,70 5.2}
{0 CHEMBL1986869,3 13.107,4 3.885,5 17.525,6 1.679,7 13.13,9 1.66,10 3.855,11 4.097,12 3,13 1.045,14 99.46,15 3,16 3,17 7522,19 1.734,20 4.86,21 37,22 2,23 4.086,24 101.265,25 1.51,26 3.013,27 3.106,28 6.648,29 1.744,30 2.3,31 2,32 83.9,33 2.735,34 12.344,35 0.218,36 2.687,37 18.061,38 2.654,39 2.654,40 1.077,41 1,42 7.822,43 6.511,44 7.026,45 4.487,46 1,47 1.418,48 7.496,49 1.383,50 1.795,51 10.6,52 2.006,53 4.025,54 100.796,55 9.671,56 0.75,57 3.779,58 3.877,59 3.654,60 3.472,61 5.003,62 3.418,63 4.228,64 4.349,65 4.076,66 3.841,67 5.445,68 3.775,69 4.36,70 5.2}
{0 CHEMBL1986943,1 1,2 3.149,3 13.245,4 3.952,5 20.57,6 1.607,7 55.891,8 1,9 1.624,10 3.896,11 4.125,12 2,13 1.039,14 90.419,15 3,16 3,17 6632,18 1,19 1.878,20 4.916,21 31,22 2,23 4.014,24 85.153,25 1.817,26 3.027,27 2.978,28 6.673,29 1.9,30 2.128,31 6,32 76.006,33 2.601,34 11.158,35 0.274,36 2.772,37 23.563,38 2.559,39 2.559,40 1.16,42 7.454,43 6.343,44 6.791,45 4.781,47 1.407,48 7.249,49 0.851,50 1.674,51 9.958,52 3.025,53 9.152,54 95.057,55 8.187,56 0.593,57 3.866,58 3.988,59 3.512,60 3.411,61 4.951,62 3.399,63 4.411,64 4.576,65 3.916,66 3.832,67 5.495,68 3.789,69 4.713,70 7.3}
{0 CHEMBL1986970,2 2.935,3 16.403,4 4.015,5 22.285,6 1.681,7 4.901,8 1,9 1.704,10 3.965,11 4.13,13 -0.302,14 119.2,15 1,16 1,17 10102,18 2,19 1.884,20 5.211,21 38.25,22 3,23 4.02,24 71.43,25 1.877,26 3.168,27 2.95,28 7.317,29 1.896,30 2.126,31 2,32 89.895,33 2.772,34 12.321,35 0.494,36 2.799,37 27.641,38 2.99,39 2.99,40 1.453,41 2,42 7.819,43 6.505,44 7.002,45 5.032,47 1.433,48 7.504,49 1,50 1.597,51 9.414,52 2.761,53 7.624,54 113.192,55 7.657,56 0.656,57 4.046,58 4.172,59 3.645,60 3.549,61 5.193,62 3.546,63 4.56,64 4.74,65 3.963,66 3.92,67 5.616,68 3.904,69 4.711,70 5.4}
{0 CHEMBL1986996,3 17.903,4 3.863,5 20.521,6 1.589,7 11.771,9 1.583,10 3.839,11 3.939,12 2,13 0.393,15 2,16 2,17 4388,19 1.666,20 4.708,21 29.25,23 3.862,24 52.194,26 2.973,27 2.88,28 6.718,29 1.683,30 1.594,31 3,32 70.633,33 2.509,34 9.604,35 0.121,36 2.687,37 17.675,38 1.741,39 1.741,40 1.027,42 6.11,43 5.446,44 5.589,45 4.434,47 1.387,48 5.733,49 1.293,50 1.809,51 8.864,52 1.52,53 2.309,54 85.68,55 9.011,56 0.261,57 3.658,58 3.75,59 3.417,60 3.258,61 4.979,62 3.233,63 4.104,64 4.235,65 3.796,66 3.604,67 5.459,68 3.551,69 4.315,70 5.4}
{0 CHEMBL1987007,2 3.086,3 14.036,4 3.936,5 22.977,6 1.582,7 4.115,8 1,9 1.595,10 3.87,11 4.131,12 1,13 0.296,15 2,16 2,17 6929,18 1,19 1.711,20 4.715,21 29,22 2,23 4.094,24 54.461,25 1.891,26 2.922,27 2.834,28 9.117,29 1.72,30 1.94,31 4,32 76.894,33 2.735,34 11.276,35 0.387,36 2.687,37 26.453,38 2.401,39 2.401,40 1.306,41 2,42 7.465,43 6.372,44 6.831,45 4.843,47 1.439,48 7.117,49 0.885,50 1.607,51 10.667,52 2.615,53 6.84,54 98.802,55 7.738,56 0.556,57 3.894,58 4.018,59 3.553,60 3.492,61 4.929,62 3.438,63 4.446,64 4.624,65 3.952,66 3.915,67 5.425,68 3.833,69 4.688,70 5.2}
{0 CHEMBL1987009,2 3.061,3 12.058,4 3.95,5 15.608,6 1.588,7 4.115,8 1,9 1.605,10 3.923,11 4.13,12 1,13 0.251,15 2,16 2,17 8839,18 1,19 1.73,20 5.083,21 36.25,22 3,23 4.095,24 51.337,25 1.795,26 3.053,27 2.893,28 8.512,29 1.743,30 2.042,31 3,32 83.587,33 2.732,34 11.798,35 0.293,36 2.687,37 22.673,38 2.649,39 2.649,40 1.212,41 2,42 7.543,43 6.477,44 6.898,45 4.732,47 1.429,48 7.167,49 1.043,50 1.643,51 11.577,52 4.072,53 16.578,54 104.427,55 8.453,56 0.724,57 3.88,58 3.98,59 3.606,60 3.519,61 5.04,62 3.48,63 4.36,64 4.491,65 3.982,66 3.898,67 5.489,68 3.839,69 4.515,70 5.7}
{0 CHEMBL1987034,3 27.039,4 3.964,5 42.574,6 1.67,7 4.227,9 1.64,10 3.941,11 4.071,12 4,13 1.766,15 4,16 4,17 11101,18 2,19 1.853,20 5.141,21 44.25,23 4.052,24 177.897,26 3.396,27 3.377,28 7.929,29 1.866,30 2.163,31 4,32 104.586,33 2.735,34 15.141,35 0.218,36 2.834,37 22.287,38 2.646,39 2.646,40 1.181,42 7.156,43 6.043,44 6.423,45 4.769,46 1,47 1.358,48 6.758,49 0.936,50 1.961,51 13.103,52 3.716,53 13.807,54 112.596,55 10.804,56 0.581,57 3.916,58 4.006,59 3.913,60 3.514,61 5.158,62 3.497,63 4.38,64 4.491,65 4.217,66 3.848,67 5.897,68 3.821,69 4.591,70 7.5}
{0 CHEMBL1987054,3 30.233,4 4.092,5 35.541,6 1.895,7 7.164,9 1.916,10 4.074,11 4.156,12 6,13 0.799,14 345.132,15 3,16 3,17 27510,18 2,19 1.998,20 5.478,21 49.75,22 3,23 4.021,24 119.704,25 2.786,26 3.411,27 3.501,28 12.912,29 1.995,30 2.775,31 3,32 123.04,33 2.962,34 17.692,35 0.739,36 3.234,37 45.413,38 5.488,39 5.488,40 1.513,41 1,42 8.28,43 7.047,44 7.504,45 5.434,47 1.423,48 7.984,49 0.929,50 1.671,51 16.333,52 5.367,53 28.803,54 150.344,55 7.943,56 0.591,57 4.359,58 4.476,59 3.987,60 3.868,61 5.448,62 3.866,63 4.918,64 5.081,65 4.38,66 4.278,67 5.964,68 4.256,69 5.145,70 6.9}
{0 CHEMBL1987359,3 19.67,4 3.785,5 25.315,6 1.684,9 1.692,10 3.716,11 4.146,12 3,13 0.936,15 3,16 3,17 7048,19 1.883,20 5.265,21 30,22 4,23 4.092,24 39.146,25 1.652,26 3.091,27 2.757,28 9.92,29 1.866,30 1.766,31 3,32 79.464,33 2.666,34 10.564,35 0.467,36 2.832,37 30.106,38 2.255,39 2.255,40 1.353,42 7.707,43 6.512,44 6.944,45 5.086,47 1.423,48 7.323,49 0.975,50 1.515,51 11.308,52 1.972,53 3.887,54 102.75,55 6.97,56 0.393,57 4.012,58 4.14,59 3.506,60 3.519,61 5.078,62 3.491,63 4.568,64 4.758,65 3.84,66 3.919,67 5.585,68 3.86,69 4.852,70 5.2}
{0 CHEMBL1987533,2 2.785,3 10.672,4 3.946,5 13.943,6 1.585,7 11.771,8 1,9 1.609,10 3.922,11 4.092,12 1,13 0.361,14 81.281,15 2,16 2,17 4143,18 1,19 1.663,20 4.938,21 28.5,22 2,23 3.985,24 51.337,25 1.828,26 2.805,27 2.807,28 4.801,29 1.704,30 1.918,31 4,32 63.437,33 2.222,34 9.099,35 0.066,36 2.377,37 15.541,38 1.175,39 1.175,40 1.066,42 6.256,43 5.867,44 6.198,45 4.295,47 1.42,48 6.526,49 1.241,50 1.676,51 8.8,52 3.095,53 9.578,54 78.433,55 8.93,56 0.727,57 3.589,58 3.698,59 3.309,60 3.214,61 4.781,62 3.196,63 4.051,64 4.183,65 3.668,66 3.589,67 5.243,68 3.549,69 4.276,70 5.2}
{0 CHEMBL1987648,3 13.037,4 3.902,5 16.338,6 1.855,7 31.387,9 1.861,10 3.855,11 4.16,12 1,13 0.243,14 119.644,15 2,16 2,17 10686,18 1,19 1.975,20 5.081,21 40.75,22 1,23 4.015,24 86.439,25 0.71,26 3.008,27 3.182,28 9.033,29 1.967,30 2.435,31 2,32 90.546,33 2.735,34 12.96,35 0.469,36 2.767,37 26.061,38 3.398,39 3.398,40 1.409,41 1,42 8.273,43 6.845,44 7.36,45 5.036,46 1,47 1.433,48 7.887,49 0.599,50 1.621,51 10.733,52 3.581,53 12.823,54 113.304,55 7.67,56 0.667,57 4.077,58 4.203,59 3.665,60 3.592,61 5.238,62 3.587,63 4.594,64 4.778,65 4.052,66 3.981,67 5.721,68 3.965,69 4.831,70 5.2}
{0 CHEMBL1987679,1 1,2 3.271,3 16.738,4 4.038,5 18.936,6 1.797,7 20.678,8 1,9 1.802,10 4.018,11 4.131,12 4,13 1.598,14 256.749,15 4,16 4,17 14372,18 1,19 1.895,20 5.524,21 43,22 4,23 4.048,24 84.479,25 2.288,26 3.242,27 3.132,28 9.347,29 1.895,30 2.319,31 5,32 91.871,33 2.774,34 13.427,35 0.27,36 2.798,37 25.169,38 3.821,39 3.821,40 1.274,41 1,42 7.288,43 6.458,44 6.87,45 4.976,47 1.454,48 7.218,49 1.062,50 1.579,51 13.233,52 3.09,53 9.545,54 112,55 8.009,56 0.647,57 4.046,58 4.153,59 3.678,60 3.603,61 5.209,62 3.608,63 4.549,64 4.679,65 4.051,66 4.007,67 5.725,68 3.99,69 4.782,70 5.2}
{0 CHEMBL1987756,3 10.974,4 3.953,5 8.718,6 1.73,9 1.7,10 3.927,11 4.154,12 5,13 0.267,15 2,16 2,17 10469,19 1.895,20 5.214,21 36.75,22 3,23 4.137,24 97.155,25 1.474,26 3.289,27 2.928,28 10.028,29 1.877,30 1.948,31 1,32 97.372,33 2.784,34 13.788,35 0.326,36 2.826,37 29.182,38 2.672,39 2.672,40 1.193,42 6.936,43 6.155,44 6.484,45 4.884,47 1.377,48 6.715,49 1.138,50 1.733,51 13.519,52 3.096,53 9.585,54 112.684,55 9.498,56 0.586,57 3.938,58 4.038,59 3.852,60 3.594,61 4.999,62 3.526,63 4.45,64 4.595,65 4.151,66 3.963,67 5.74,68 3.871,69 4.699,70 5.5}
{0 CHEMBL1987793,1 1,3 14.838,4 4.09,5 14.016,6 1.841,7 4.901,9 1.827,10 4.073,11 4.184,12 5,13 -0.472,14 131.495,15 1,16 1,17 15764,18 1,19 2.006,20 5.673,21 46.25,22 6,23 4.109,24 1.899,25 4.111,26 3.307,27 3.129,28 14.28,29 2.005,30 2.427,32 99.488,33 2.964,34 14.284,35 0.602,36 2.98,37 33.651,38 3.342,39 3.342,40 1.537,41 2,42 8.001,43 6.949,44 7.354,45 5.259,47 1.473,48 7.747,49 1.065,50 1.345,51 11.97,52 6.833,53 46.687,54 130.722,55 7.509,56 0.73,57 4.153,58 4.251,59 3.737,60 3.784,61 5.274,62 3.753,63 4.661,64 4.8,65 4.099,66 4.179,67 5.791,68 4.129,69 4.918,70 5.6}
{0 CHEMBL1987910,3 17.508,4 3.979,5 22.606,6 1.565,7 19.121,9 1.599,10 3.949,11 4.106,12 5,13 1.664,14 133.971,15 4,16 4,17 12814,19 1.915,20 5.164,21 42.25,22 4,23 4.112,24 85.704,25 1.882,26 3.31,27 3.362,28 10.286,29 1.915,30 2.607,31 5,32 94.881,33 2.735,34 12.417,35 0.218,36 2.774,37 27.672,38 3.282,39 3.282,40 1.204,41 1,42 7.592,43 6.514,44 6.923,45 4.924,47 1.424,48 7.358,49 1.14,50 1.856,51 12.133,52 4.487,53 20.136,54 111.743,55 9.522,56 0.667,57 3.945,58 4.047,59 3.735,60 3.562,61 5.222,62 3.556,63 4.435,64 4.55,65 4.186,66 3.948,67 6.167,68 3.926,69 4.618,70 5.2}
{0 CHEMBL1987982,1 1,2 3.293,3 12.346,4 3.918,5 12.342,6 1.631,7 13.915,8 1,9 1.641,10 3.893,11 4.157,12 3,13 0.251,14 105.376,15 2,16 2,17 8318,18 1,19 1.878,20 4.99,21 32.75,22 4,23 4.09,24 34.796,25 2.159,26 2.902,27 2.966,28 9.704,29 1.885,30 2.174,31 5,32 78.931,33 2.735,34 9.825,35 0.218,36 2.687,37 24.188,38 2.565,39 2.565,40 1.181,41 1,42 7.827,43 6.532,44 7.04,45 4.919,47 1.432,48 7.504,49 1.145,50 1.643,51 10.846,52 5.802,53 33.666,54 95.972,55 8.335,56 0.552,57 3.891,58 3.997,59 3.542,60 3.452,61 5.037,62 3.458,63 4.455,64 4.594,65 4.012,66 3.859,67 6.154,68 3.844,69 4.611,70 6.2}
{0 CHEMBL1988075,3 18.938,4 3.959,5 24.25,6 1.841,7 34.081,9 1.847,10 3.925,11 4.134,12 6,13 1.516,14 147.558,15 4,16 4,17 18823,19 1.973,20 5.482,21 50.75,22 5,23 4.137,24 102.49,25 1.942,26 3.376,27 3.465,28 12.229,29 1.967,30 2.776,31 5,32 106.844,33 2.805,34 15.107,35 0.308,36 2.886,37 34.295,38 4.689,39 4.689,40 1.303,41 1,42 8.273,43 6.88,44 7.365,45 5.067,47 1.438,48 7.887,49 1.132,50 1.676,51 14.529,52 4.401,53 19.368,54 133.556,55 8.696,56 0.737,57 4.108,58 4.216,59 3.839,60 3.755,61 5.33,62 3.727,63 4.568,64 4.7,65 4.217,66 4.144,67 5.811,68 4.096,69 4.8,70 5.4}
{0 CHEMBL1988153,3 13.35,4 3.934,5 13.764,6 1.585,7 2.104,9 1.586,10 3.913,11 4.094,13 -0.646,14 105.504,17 8305,19 1.703,20 4.684,21 35.75,22 2,23 4.086,24 50.112,25 1.594,26 2.922,27 2.963,28 5.678,29 1.716,30 2.175,32 83.762,33 2.678,34 11.029,35 0.124,36 2.687,37 11.058,38 2.957,39 2.957,40 1.012,41 2,42 7.84,43 6.552,44 7.008,45 4.346,47 1.416,48 7.516,49 0.987,50 1.997,51 10.808,52 3.895,53 15.171,54 91.257,55 10.483,56 0.724,57 3.767,58 3.834,59 3.645,60 3.359,61 5.074,62 3.381,63 4.277,64 4.372,65 4.135,66 3.726,67 6.074,68 3.748,69 4.346,70 5.2}
{0 CHEMBL1988163,1 1,3 18.723,4 4.029,5 24.777,6 1.678,7 13.67,9 1.641,10 4.045,11 4.14,12 2,13 1.012,14 101.651,15 3,16 3,17 8182,18 2,19 1.9,20 5.065,21 40.75,22 1,23 4.059,24 84.772,25 1.647,26 2.893,27 2.996,28 6.751,29 1.904,30 2.184,31 2,32 87.026,33 2.693,34 13.461,35 0.218,36 2.687,37 19.344,38 2.606,39 2.606,40 1.181,42 7.827,43 6.55,44 7.057,45 4.684,47 1.449,48 7.482,49 0.922,50 1.766,51 10.269,52 3.086,53 9.523,54 100.21,55 8.913,56 0.759,57 3.854,58 3.953,59 3.731,60 3.468,61 5.017,62 3.446,63 4.333,64 4.453,65 3.998,66 3.833,67 5.811,68 3.805,69 4.548,70 6.5}
{0 CHEMBL1988173,3 19.132,4 3.956,5 21.657,6 1.675,7 0.285,9 1.713,10 3.929,11 4.015,12 11,13 1.629,15 4,16 4,17 10289,19 1.926,20 4.742,21 38.25,22 3,23 3.949,24 53.787,26 3.356,27 3.012,28 11.532,29 1.905,30 2.143,31 4,32 91.902,33 2.735,34 13.327,35 0.218,36 2.888,37 34.617,38 2.901,39 2.901,40 1.181,42 6.185,43 5.759,44 6.024,45 5.06,46 1,47 1.426,48 6.195,49 0.952,50 1.711,51 11.241,52 4.759,53 22.643,54 119.157,55 8.693,56 0.581,57 3.981,58 4.091,59 3.665,60 3.602,61 5.174,62 3.564,63 4.441,64 4.572,65 4.065,66 3.97,67 5.646,68 3.918,69 4.739,70 5.4}
{0 CHEMBL1988300,2 3.31,3 6.325,4 4.092,5 5,6 1.713,7 16.989,8 1,9 1.735,10 4.066,11 4.143,12 6,13 2.432,14 215.386,15 5,16 5,17 10836,18 1,19 1.944,20 5.225,21 42.5,22 4,23 4.131,24 116.151,25 4.044,26 3.134,27 3.199,28 9.619,29 1.939,30 2.485,31 5,32 88.509,33 2.776,34 13.061,35 0.218,36 2.791,37 25.005,38 3.206,39 3.206,40 1.181,41 2,42 8.271,43 6.919,44 7.398,45 4.77,47 1.452,48 7.932,49 1.123,50 1.51,51 11.464,52 4.014,53 16.111,54 117.879,55 8.522,56 0.813,57 3.936,58 4.051,59 3.668,60 3.612,61 5.117,62 3.572,63 4.381,64 4.507,65 4.048,66 4.015,67 5.523,68 3.953,69 4.591,70 5.2}
{0 CHEMBL1988370,1 1,3 25.129,4 3.966,5 25.865,6 1.883,7 14.099,9 1.897,10 3.923,11 4.174,12 3,13 0.118,14 139.779,15 2,16 2,17 19003,18 1,19 1.986,20 5.345,21 43.75,22 4,23 4.061,24 71.492,25 1.869,26 3.246,27 3.354,28 13.517,29 1.977,30 2.421,31 1,32 103.709,33 2.868,34 15.071,35 0.681,36 2.928,37 37.294,38 4.059,39 4.059,40 1.498,42 7.978,43 6.702,44 7.18,45 5.346,47 1.438,48 7.652,49 0.916,50 1.41,51 13.5,52 4.667,53 21.778,54 137.395,55 6.979,56 0.564,57 4.275,58 4.404,59 3.81,60 3.835,61 5.268,62 3.802,63 4.837,64 5.021,65 4.147,66 4.246,67 5.758,68 4.184,69 5.093,70 5.8}
{0 CHEMBL1988387,3 23.089,4 3.969,5 28.448,6 1.776,7 30.892,9 1.8,10 3.932,11 4.139,12 4,13 1.55,14 164.949,15 4,16 4,17 22688,18 1,19 1.932,20 5.33,21 51.25,22 5,23 4.136,24 104.144,25 1.899,26 3.423,27 3.518,28 12.616,29 1.93,30 2.86,31 5,32 114.587,33 2.913,34 15.556,35 0.321,36 3.034,37 36.424,38 4.976,39 4.976,40 1.29,41 1,42 8.238,43 6.88,44 7.384,45 5.147,47 1.419,48 7.875,49 1.178,50 1.842,51 16.139,52 4.519,53 20.42,54 135.961,55 9.046,56 0.675,57 4.166,58 4.272,59 3.917,60 3.737,61 5.405,62 3.737,63 4.655,64 4.789,65 4.312,66 4.128,67 6.114,68 4.108,69 4.798,70 6}
{0 CHEMBL1988437,2 3.076,3 7.851,4 3.935,5 5.913,6 1.705,7 2.757,8 1,9 1.735,10 3.914,11 4.114,12 3,13 0.212,14 111.673,15 2,16 2,17 10784,18 1,19 1.933,20 5.42,21 40.75,22 2,23 4.04,24 68.122,25 1.916,26 3.169,27 3.003,28 8.362,29 1.928,30 2.214,31 3,32 89.029,33 2.789,34 12.52,35 0.241,36 2.789,37 21.084,38 3.112,39 3.112,40 1.196,41 1,42 7.784,43 6.473,44 6.95,45 4.712,47 1.417,48 7.425,49 1.247,50 1.585,51 12.286,52 4.493,53 20.186,54 114.788,55 8.402,56 0.71,57 3.933,58 4.041,59 3.653,60 3.596,61 5.11,62 3.55,63 4.385,64 4.525,65 4.009,66 3.968,67 5.533,68 3.895,69 4.58,70 6}
{0 CHEMBL1988537,3 16.56,4 3.901,5 18.34,6 1.545,9 1.543,10 3.883,11 4.038,13 -0.751,17 6394,19 1.824,20 4.912,21 37.25,22 1,23 3.986,24 19.91,26 3.171,27 2.929,28 7.603,29 1.82,30 2.095,32 83.066,33 2.719,34 11.792,35 0.208,36 2.688,37 18.134,38 2.915,39 2.915,40 1.111,42 7.508,43 6.32,44 6.714,45 4.636,47 1.4,48 7.116,49 1.13,50 1.753,51 8.84,52 4.183,53 17.497,54 99.724,55 9.707,56 0.643,57 3.771,58 3.845,59 3.617,60 3.465,61 4.971,62 3.428,63 4.249,64 4.354,65 4.032,66 3.858,67 5.423,68 3.803,69 4.452,70 5.2}
{0 CHEMBL1988594,3 22.405,4 3.97,5 31.522,6 1.622,7 18.375,9 1.654,10 3.935,11 4.069,12 1,13 2.494,14 133.859,15 5,16 5,17 12623,19 1.927,20 5.047,21 44.25,22 2,23 4.045,24 120.5,25 1.206,26 3.276,27 3.279,28 7.825,29 1.945,30 2.51,31 8,32 92.702,33 2.735,34 13.218,35 0.218,36 2.755,37 22.802,38 2.991,39 2.991,40 1.181,42 7.042,43 6.28,44 6.619,45 4.762,47 1.42,48 6.998,49 1.204,50 1.76,51 13.276,52 2.243,53 5.029,54 112.693,55 8.989,56 0.688,57 3.939,58 4.052,59 3.695,60 3.54,61 5.197,62 3.527,63 4.376,64 4.501,65 4.059,66 3.904,67 5.68,68 3.867,69 4.594,70 6.2}
{0 CHEMBL1988608,2 2.86,3 22.035,4 3.992,5 34.011,6 1.7,7 2.144,8 1,9 1.703,10 3.959,11 4.108,12 7,13 1.698,14 121.629,15 4,16 4,17 10690,18 1,19 1.864,20 5.342,21 39.25,22 2,23 3.999,24 84.908,25 1.773,26 3.058,27 3.083,28 6.562,29 1.89,30 2.301,31 5,32 85.005,33 2.741,34 12.517,35 0.231,36 2.733,37 17.485,38 4.166,39 4.166,40 1.183,41 1,42 7.692,43 6.422,44 6.885,45 4.682,47 1.453,48 7.395,49 0.972,50 1.663,51 11.75,52 1.259,53 1.586,54 105.617,55 8.343,56 0.516,57 3.942,58 4.049,59 3.589,60 3.482,61 5.203,62 3.496,63 4.37,64 4.513,65 3.917,66 3.806,67 5.623,68 3.81,69 4.56,70 5.2}
{0 CHEMBL1988717,3 22.502,4 3.988,5 29.401,6 1.794,7 16.047,9 1.814,10 3.954,11 4.153,12 2,13 1.578,14 166.349,15 4,16 4,17 22732,18 2,19 1.897,20 5.427,21 51.25,22 5,23 4.005,24 121.971,25 0.591,26 3.3,27 3.503,28 8.456,29 1.913,30 2.818,31 5,32 109.643,33 2.817,34 14.843,35 0.265,36 2.904,37 27.712,38 4.842,39 4.842,40 1.265,42 8.199,43 6.864,44 7.382,45 5.15,47 1.454,48 7.842,49 1.18,50 1.79,51 15.528,52 3.183,53 10.128,54 128.671,55 8.955,56 0.675,57 4.158,58 4.281,59 3.863,60 3.663,61 5.429,62 3.699,63 4.658,64 4.807,65 4.309,66 4.05,67 6.295,68 4.08,69 4.823,70 5.2}
{0 CHEMBL1988838,3 28.574,4 3.973,5 45.114,6 1.704,7 4.227,9 1.733,10 3.95,11 4.072,12 6,13 3.356,15 6,16 6,17 12270,18 2,19 1.902,20 5.229,21 43.5,22 1,23 4.052,24 133.781,26 3.076,27 3.374,28 8.146,29 1.907,30 2.617,31 5,32 98.862,33 2.735,34 15.229,35 0.237,36 2.696,37 24.794,38 3.755,39 3.755,40 1.191,42 7.156,43 6.043,44 6.423,45 4.899,46 1,47 1.418,48 6.758,49 0.879,50 1.831,51 13.233,52 2.577,53 6.64,54 112.858,55 8.57,56 0.563,57 4.031,58 4.141,59 3.832,60 3.553,61 5.24,62 3.545,63 4.507,64 4.642,65 4.092,66 3.884,67 6.003,68 3.869,69 4.719,70 6.2}
{0 CHEMBL1988995,3 8.106,4 4.082,5 4.928,6 1.688,7 56.219,9 1.724,10 4.028,11 4.196,13 -0.671,14 94.582,17 9067,18 2,19 1.848,20 4.975,21 39.5,22 1,23 4.015,24 69.225,25 0.887,26 3.02,27 3.106,28 5.703,29 1.833,30 2.347,32 86.589,33 2.618,34 11.712,35 0.265,36 2.726,37 14.415,38 3.806,39 3.806,40 1.254,41 1,42 8.597,43 7.069,44 7.618,45 4.737,47 1.474,48 8.126,49 0.668,50 1.785,51 9.25,52 4.651,53 21.632,54 98.081,55 9.057,56 0.781,57 3.913,58 4.019,59 3.648,60 3.431,61 5.17,62 3.47,63 4.422,64 4.567,65 4.07,66 3.823,67 5.685,68 3.862,69 4.6,70 5.2}
{0 CHEMBL1989029,2 2.532,3 15.478,4 3.912,5 19.632,6 1.569,7 4.815,8 1,9 1.619,10 3.871,11 4.043,12 4,13 0.361,14 72.601,15 2,16 2,17 3598,18 1,19 1.735,20 4.629,21 27.25,22 2,23 3.963,24 50.112,26 2.602,27 2.736,28 4.744,29 1.752,30 1.812,31 2,32 60.643,33 2.309,34 8.89,35 0.114,36 2.499,37 13.687,38 1.445,39 1.445,40 1.07,42 7.105,43 5.981,44 6.428,45 4.395,47 1.443,48 6.828,49 0.887,50 1.588,51 7.9,52 2.985,53 8.913,54 77.838,55 7.695,56 0.5,57 3.678,58 3.788,59 3.271,60 3.203,61 4.853,62 3.201,63 4.16,64 4.313,65 3.63,66 3.563,67 5.307,68 3.549,69 4.327,70 5.2}
{0 CHEMBL1989069,2 2.815,3 6.907,4 3.762,5 5.173,6 1.115,7 26.731,8 1,9 1.069,10 3.713,11 4.043,12 1,13 -0.166,14 32.921,15 1,16 1,17 1307,18 1,19 1.511,20 4.297,21 19.25,22 2,23 3.986,24 33.326,26 2.258,27 1.874,28 3.217,29 1.531,30 0.74,31 1,32 47.421,33 1.348,34 6.191,36 1.623,37 8.445,38 -1.877,39 -1.877,40 0.306,42 6.538,43 5.71,44 6.037,45 3.715,47 1.422,48 6.387,49 1.322,50 1.779,51 5,52 2.722,53 7.408,54 56.187,55 9.822,56 0.688,57 3.22,58 3.312,59 3.101,60 2.933,61 4.414,62 2.884,63 3.7,64 3.811,65 3.481,66 3.346,67 4.907,68 3.272,69 3.843,70 4.9}
{0 CHEMBL1989265,3 24.039,4 3.894,5 35.128,6 1.71,7 14.96,9 1.71,10 3.839,11 4.071,12 3,13 1.045,14 75.79,15 3,16 3,17 6040,19 1.785,20 5.083,21 28.25,22 1,23 3.985,24 39.146,26 3.041,27 2.951,28 10.371,29 1.771,30 2,31 2,32 79.782,33 2.712,34 11.58,35 0.193,36 2.754,37 25.733,38 2.955,39 2.955,40 1.114,42 7.274,43 6.251,44 6.641,45 4.923,47 1.477,48 6.95,49 1.065,50 1.844,51 8.4,52 1.999,53 3.996,54 95.228,55 8.452,56 0.214,57 3.897,58 4.003,59 3.602,60 3.457,61 5.057,62 3.434,63 4.471,64 4.623,65 4.055,66 3.909,67 5.672,68 3.871,69 4.764,70 5.2}
{0 CHEMBL1989474,3 4.79,4 3.86,5 3.162,6 1.389,7 26.731,9 1.402,10 3.821,11 4.052,13 -0.724,17 3116,18 1,19 1.763,20 4.482,21 28.5,22 2,23 3.942,24 52.011,26 2.687,27 2.5,28 4.028,29 1.783,30 1.5,32 58.348,33 2.264,34 7.7,35 0.019,36 2.392,37 10.029,38 2.136,39 2.136,40 1.052,42 7.116,43 6.031,44 6.427,45 4.257,47 1.435,48 6.816,49 0.99,50 1.595,51 7.632,52 2.801,53 7.843,54 71.083,55 8.476,56 0.81,57 3.535,58 3.651,59 3.22,60 3.103,61 4.776,62 3.11,63 3.995,64 4.161,65 3.548,66 3.444,67 5.236,68 3.449,69 4.128,70 5.2}
{0 CHEMBL1989518,3 5.204,4 3.854,5 5.612,6 1.426,9 1.416,10 3.816,11 3.953,12 1,13 0.374,15 2,16 2,17 2991,19 1.766,20 4.62,21 25.25,22 2,23 3.867,24 66.468,26 2.687,27 2.433,28 4.52,29 1.756,30 1.428,32 55.55,33 2.281,34 7.122,35 0.036,36 2.363,37 12.601,38 0.439,39 0.439,40 0.97,42 6.39,43 5.327,44 5.69,45 4.272,47 1.337,48 5.987,49 1.078,50 1.509,51 9.167,52 0.67,53 0.448,54 71.612,55 7.313,56 0.632,57 3.58,58 3.706,59 3.126,60 3.112,61 4.745,62 3.093,63 4.031,64 4.203,65 3.344,66 3.412,67 5.119,68 3.367,69 4.212,70 5.2}
{0 CHEMBL1989646,2 2.903,3 12.138,4 4.011,5 15.495,6 1.643,7 7.229,8 1,9 1.697,10 3.958,11 4.131,13 1.032,14 89.691,15 3,16 3,17 6052,18 2,19 1.756,20 4.856,21 33,22 3,23 4.021,24 101.203,25 1.82,26 2.855,27 2.78,28 5.967,29 1.76,30 1.906,31 3,32 70.002,33 2.602,34 10.152,35 0.218,36 2.687,37 18.556,38 2.761,39 2.761,40 1.181,41 2,42 7.68,43 6.406,44 6.918,45 4.686,47 1.48,48 7.397,49 1.056,50 1.465,51 9.391,52 3.125,53 9.764,54 93.752,55 7.805,56 0.808,57 3.796,58 3.934,59 3.417,60 3.353,61 4.964,62 3.343,63 4.266,64 4.435,65 3.77,66 3.74,67 5.346,68 3.714,69 4.443,70 5.9}
{0 CHEMBL1989708,3 22.442,4 3.98,5 27.679,6 1.889,7 30.892,9 1.898,10 3.939,11 4.142,12 7,13 2.245,14 159.015,15 5,16 5,17 21836,18 1,19 1.94,20 5.607,21 50,22 6,23 4.137,24 104.144,25 1.91,26 3.383,27 3.465,28 12.802,29 1.938,30 2.773,31 6,32 112.531,33 2.986,34 16.789,35 0.584,36 3.008,37 39.416,38 4.755,39 4.755,40 1.462,41 1,42 8.281,43 6.893,44 7.382,45 5.21,47 1.443,48 7.896,49 1.014,50 1.63,51 15.278,52 4.038,53 16.302,54 145.241,55 8.043,56 0.675,57 4.236,58 4.355,59 3.898,60 3.828,61 5.397,62 3.795,63 4.722,64 4.876,65 4.272,66 4.228,67 5.867,68 4.173,69 4.955,70 5.85}
{0 CHEMBL1989805,3 17.343,4 3.904,5 18.162,6 1.589,7 34.44,9 1.587,10 3.899,11 4.049,12 3,13 1.771,14 105.222,15 4,16 4,17 7517,19 1.603,20 5.183,21 36,23 3.96,24 99.978,26 2.993,27 3.106,28 9.343,29 1.597,30 2.093,31 2,32 86.629,33 2.542,34 12.473,35 0.099,36 2.672,37 22.617,38 2.592,39 2.592,40 1.141,41 2,42 7.335,43 6.351,44 6.734,45 4.806,47 1.471,48 7.097,49 1.151,50 1.847,51 8.63,52 0.977,53 0.954,54 98.22,55 9.754,56 0.333,57 3.828,58 3.907,59 3.648,60 3.427,61 5.176,62 3.438,63 4.286,64 4.369,65 4.079,66 3.833,67 5.615,68 3.827,69 4.486,70 5.3}
{0 CHEMBL1989856,3 7.146,4 3.791,5 6.908,6 1.406,7 2.144,9 1.439,10 3.767,11 4.218,12 1,13 -0.249,14 100.624,15 1,16 1,17 2613,18 1,19 1.494,20 4.638,21 29.5,22 3,23 4.093,24 49.131,25 1.69,26 2.86,27 2.806,28 4.623,29 1.486,30 1.526,31 1,32 57.657,33 2.238,34 8.048,36 2.322,37 13.234,38 0.968,39 0.968,40 0.907,41 1,42 8.106,43 6.932,44 7.43,45 4.41,47 1.467,48 7.892,49 1.114,50 1.644,51 6.158,52 2.742,53 7.52,54 68.799,55 8.974,56 0.714,57 3.478,58 3.563,59 3.197,60 3.085,61 4.831,62 3.103,63 3.931,64 4.052,65 3.587,66 3.47,67 5.175,68 3.479,69 4.14,70 5.2}
{0 CHEMBL1990212,3 16.71,4 3.933,5 26.219,6 1.564,7 2.328,9 1.559,10 3.919,11 4.116,12 2,13 -0.272,14 106.828,15 1,16 1,17 8805,18 2,19 1.898,20 5.019,21 39.5,22 1,23 3.947,24 69.164,25 0.652,26 3.085,27 3.054,28 7.176,29 1.909,30 2.248,31 2,32 86.81,33 2.735,34 11.894,35 0.218,36 2.783,37 24.544,38 2.627,39 2.627,40 1.181,42 7.853,43 6.589,44 7.03,45 4.792,47 1.387,48 7.515,49 1.016,50 1.744,51 10.778,52 4.605,53 21.209,54 104.815,55 8.88,56 0.733,57 3.904,58 4.008,59 3.625,60 3.439,61 5.112,62 3.452,63 4.377,64 4.517,65 3.987,66 3.787,67 5.537,68 3.794,69 4.516,70 5.2}
{0 CHEMBL1990254,3 8.567,4 3.951,5 11.74,6 1.72,9 1.71,10 3.918,11 4.015,12 4,13 0.915,15 3,16 3,17 6792,19 1.849,20 4.775,21 34,22 4,23 3.951,24 67.693,26 2.728,27 2.57,28 8.626,29 1.851,30 1.593,31 2,32 72.49,33 2.735,34 9.852,35 0.218,36 2.687,37 23.446,38 2.275,39 2.275,40 1.181,42 6.708,43 5.796,44 6.211,45 4.877,47 1.442,48 6.411,49 1.114,50 1.428,51 10.833,52 2.189,53 4.792,54 94.747,55 7.382,56 0.692,57 3.839,58 3.964,59 3.395,60 3.446,61 4.993,62 3.412,63 4.307,64 4.464,65 3.691,66 3.81,67 5.412,68 3.746,69 4.584,70 5.25}
{0 CHEMBL1990288,3 12.302,4 3.974,5 18.958,6 1.705,7 43.158,9 1.727,10 3.936,11 4.17,12 1,13 -0.349,15 1,16 1,17 12148,18 1,19 1.913,20 5.153,21 45,22 2,23 3.999,24 69.654,25 0.44,26 3.139,27 3.1,28 8.128,29 1.926,30 2.303,31 2,32 92.111,33 2.735,34 12.634,35 0.262,36 2.688,37 22.589,38 3.769,39 3.769,40 1.232,41 1,42 8.182,43 6.8,44 7.313,45 4.963,47 1.446,48 7.729,49 1.007,50 1.612,51 11.433,52 5.438,53 29.571,54 112.445,55 8.322,56 0.794,57 4.007,58 4.115,59 3.679,60 3.578,61 5.197,62 3.586,63 4.497,64 4.642,65 4.055,66 3.955,67 5.697,68 3.949,69 4.698,70 5.2}
{0 CHEMBL1990346,2 2.817,3 4.806,4 3.864,5 3.176,6 1.21,8 1,9 1.221,10 3.834,11 4.126,12 4,13 1.193,14 57.587,15 3,16 3,17 2246,18 1,19 1.693,20 4.385,21 24.75,22 3,23 4.047,24 112.177,25 1.873,26 2.687,27 2.5,28 4.297,29 1.745,30 1.5,31 2,32 59.093,33 2.056,34 8.323,36 2.249,37 7.576,38 -0.273,39 -0.273,40 0.899,42 7.233,43 6.211,44 6.661,45 4.195,47 1.437,48 7.088,49 1.056,50 1.567,51 6.529,52 3.256,53 10.599,54 72.536,55 10.673,56 0.842,57 3.43,58 3.547,59 3.31,60 3.108,61 4.61,62 3.072,63 3.864,64 3.99,65 3.742,66 3.51,67 4.996,68 3.448,69 4.07,70 5.6}
{0 CHEMBL1990415,2 2.829,3 7.52,4 3.922,5 10.692,6 1.581,8 1,9 1.604,10 3.888,11 4.16,12 4,13 0.348,14 63.329,15 2,16 2,17 5328,18 1,19 1.709,20 4.802,21 34.75,22 3,23 4.058,24 84.908,25 3.217,26 2.903,27 2.876,28 4.325,29 1.748,30 2.051,31 3,32 67.66,33 2.35,34 9.648,36 2.471,37 12.144,38 2.449,39 2.449,40 1.101,42 7.991,43 6.645,44 7.17,45 4.34,47 1.47,48 7.643,49 1.028,50 1.6,51 9.227,52 1.751,53 3.067,54 78.606,55 8.767,56 0.84,57 3.654,58 3.766,59 3.367,60 3.248,61 4.896,62 3.263,63 4.102,64 4.233,65 3.722,66 3.62,67 5.356,68 3.62,69 4.297,70 5.2}
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{0 CHEMBL1990583,1 1,3 24.033,4 3.981,5 33.471,6 1.701,7 35.479,9 1.721,10 3.944,11 4.119,12 1,13 2.485,14 140.252,15 5,16 5,17 13774,18 1,19 1.966,20 5.306,21 45.25,22 1,23 3.958,24 121.542,25 0.419,26 3.12,27 3.352,28 6.886,29 1.97,30 2.625,31 7,32 91.965,33 2.735,34 12.667,35 0.218,36 2.824,37 21.456,38 3.575,39 3.575,40 1.181,41 1,42 7.055,43 6.329,44 6.629,45 4.842,47 1.436,48 7.018,49 1.138,50 1.782,51 13.4,52 2.421,53 5.863,54 109.43,55 8.814,56 0.667,57 3.974,58 4.098,59 3.664,60 3.481,61 5.276,62 3.516,63 4.417,64 4.555,65 4.031,66 3.842,67 5.789,68 3.861,69 4.657,70 7}
{0 CHEMBL1990590,2 2.896,3 6.183,4 3.978,5 4.582,6 1.571,8 1,9 1.603,10 3.953,11 4.133,12 3,13 0.255,14 88.427,15 2,16 2,17 6344,18 1,19 1.846,20 4.912,21 35.5,22 5,23 4.038,24 50.112,25 1.5,26 3.011,27 2.997,28 6.659,29 1.838,30 2.205,31 2,32 74.754,33 2.695,34 11.247,35 0.218,36 2.687,37 17.224,38 2.471,39 2.471,40 1.18,42 7.945,43 6.655,44 7.118,45 4.705,46 1,47 1.458,48 7.592,49 1.13,50 1.596,51 9.875,52 5.27,53 27.775,54 95.623,55 8.837,56 0.815,57 3.766,58 3.865,59 3.482,60 3.42,61 4.967,62 3.4,63 4.224,64 4.35,65 3.879,66 3.816,67 5.422,68 3.779,69 4.435,70 5.3}
{0 CHEMBL1990635,1 1,2 3.476,3 16.674,4 3.947,5 19.482,6 1.826,7 4.901,8 1,9 1.789,10 3.894,11 4.149,12 5,13 -0.358,14 121.013,15 1,16 1,17 11075,18 1,19 1.88,20 5.133,21 32.5,22 3,23 4.075,24 19.91,25 2.183,26 3.017,27 3.025,28 11.801,29 1.88,30 2.284,31 4,32 84.222,33 2.799,34 10.865,35 0.422,36 2.833,37 33.211,38 3.623,39 3.623,40 1.247,41 2,42 7.636,43 6.38,44 6.894,45 5.177,47 1.426,48 7.377,49 1.109,50 1.576,51 12.464,52 7,53 49.001,54 104.783,55 7.617,56 0.516,57 4.037,58 4.153,59 3.616,60 3.572,61 5.099,62 3.56,63 4.638,64 4.805,65 4.089,66 3.986,67 6.199,68 3.95,69 4.837,70 5.4}
{0 CHEMBL1990821,1 1,2 3.2,3 17.956,4 3.988,5 17.777,6 1.848,7 4.901,8 1,9 1.851,10 3.965,11 4.173,12 4,13 0.084,14 133.426,15 2,16 2,17 14010,18 1,19 1.925,20 5.521,21 41,22 8,23 4.104,24 16.786,25 1.839,26 3.14,27 3.312,28 15.597,29 1.907,30 2.558,31 3,32 94.65,33 2.989,34 14.113,35 0.623,36 2.97,37 39.676,38 3.57,39 3.57,40 1.553,41 2,42 7.785,43 6.709,44 7.098,45 5.384,47 1.482,48 7.531,49 1.132,50 1.337,51 11.875,52 7.827,53 61.262,54 129.513,55 7.01,56 0.629,57 4.181,58 4.291,59 3.692,60 3.779,61 5.266,62 3.735,63 4.704,64 4.871,65 4.061,66 4.172,67 5.78,68 4.109,69 4.923,70 5.5}
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{0 CHEMBL1991063,2 3.006,3 13.185,4 3.966,5 11.288,6 1.753,7 2.757,8 1,9 1.771,10 3.942,11 4.123,12 3,13 0.891,14 125.06,15 3,16 3,17 12275,18 1,19 1.861,20 5.395,21 38.75,22 4,23 4.034,24 83.009,25 2.039,26 3.319,27 3.128,28 9.509,29 1.865,30 2.248,31 3,32 92.903,33 2.786,34 13.638,35 0.249,36 2.909,37 26.616,38 3.523,39 3.523,40 1.226,41 1,42 7.501,43 6.424,44 6.845,45 4.914,47 1.409,48 7.265,49 0.971,50 1.644,51 12.69,52 4.541,53 20.621,54 116.704,55 8.722,56 0.688,57 4,58 4.112,59 3.701,60 3.613,61 5.139,62 3.585,63 4.501,64 4.647,65 4.088,66 4.01,67 5.587,68 3.962,69 4.745,70 6.5}
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{0 CHEMBL1996390,3 2.278,4 3.848,5 1.651,6 1.127,7 2.104,9 1.148,10 3.825,11 4.102,12 1,13 -0.28,14 62.347,15 1,16 1,17 2623,19 1.613,20 4.459,21 26.5,22 3,23 4.11,24 16.786,25 1.84,26 2.687,27 2.543,28 4.634,29 1.632,30 1.5,32 58.261,33 2.01,34 8.535,36 2.224,37 10.327,38 1.268,39 1.268,40 0.908,41 2,42 7.377,43 6.344,44 6.78,45 4.115,47 1.453,48 7.198,49 0.984,50 1.65,51 7,52 2.955,53 8.734,54 70.958,55 9.456,56 0.8,57 3.431,58 3.495,59 3.263,60 3.164,61 4.699,62 3.119,63 3.858,64 3.939,65 3.661,66 3.559,67 5.227,68 3.483,69 4.039,70 5.2}
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{0 CHEMBL1997129,1 1,2 3.369,3 7.745,4 3.953,5 6.909,6 1.595,7 5.513,8 1,9 1.607,10 3.922,11 4.081,12 3,13 0.214,14 93.429,15 2,16 2,17 7152,18 1,19 1.938,20 5.065,21 34.25,22 3,23 3.978,24 51.582,26 2.994,27 2.826,28 7.118,29 1.937,30 1.95,31 6,32 72.651,33 2.705,34 10.438,35 0.218,36 2.667,37 17.932,38 2.483,39 2.483,40 1.181,41 2,42 7.424,43 6.191,44 6.607,45 4.637,46 1,47 1.469,48 7.019,49 1.049,50 1.439,51 10.292,52 3.285,53 10.794,54 95.215,55 7.693,56 0.63,57 3.82,58 3.935,59 3.427,60 3.447,61 4.942,62 3.421,63 4.312,64 4.459,65 3.768,66 3.832,67 5.417,68 3.784,69 4.56,70 7.3}
{0 CHEMBL1997340,2 2.888,3 8.524,4 3.951,5 8.387,6 1.585,7 7.593,8 1,9 1.631,10 3.908,11 4.119,12 2,13 0.364,14 92.46,15 2,16 2,17 6172,18 1,19 1.628,20 5.08,21 29,22 2,23 4.013,24 56.047,25 1.901,26 2.937,27 2.737,28 5.537,29 1.66,30 1.804,31 3,32 71.267,33 2.396,34 10.248,35 0.246,36 2.529,37 17.77,38 2.383,39 2.383,40 1.184,41 2,42 7.405,43 6.268,44 6.708,45 4.581,47 1.484,48 7.155,49 0.88,50 1.676,51 9.478,52 1.531,53 2.342,54 84.034,55 8.009,56 0.577,57 3.815,58 3.922,59 3.444,60 3.315,61 4.977,62 3.328,63 4.346,64 4.498,65 3.811,66 3.728,67 5.45,68 3.724,69 4.604,70 5.2}
{0 CHEMBL1997349,3 21.636,4 4.062,5 23.787,6 1.723,7 2.144,9 1.714,10 4.025,11 4.172,12 3,13 -0.322,14 224.095,15 1,16 1,17 14386,18 2,19 1.945,20 5.387,21 47.75,22 1,23 4.053,24 68.184,25 1.227,26 3.301,27 3.485,28 8.907,29 1.945,30 2.822,31 1,32 104.584,33 2.801,34 15.544,35 0.259,36 3.135,37 20.964,38 4.468,39 4.468,40 1.205,41 1,42 8.433,43 7.087,44 7.568,45 4.976,47 1.458,48 8.064,49 1.028,50 1.746,51 11.576,52 5.971,53 35.655,54 125.911,55 9.924,56 0.568,57 4.015,58 4.101,59 3.822,60 3.661,61 5.292,62 3.661,63 4.496,64 4.615,65 4.271,66 4.068,67 5.731,68 4.061,69 4.724,70 5.2}
{0 CHEMBL1997503,3 20.677,4 3.958,5 31.167,6 1.812,9 1.784,10 3.924,11 4.038,13 0.225,15 2,16 2,17 14844,19 1.825,20 5.208,21 38.5,22 2,23 3.93,24 54.393,26 3.265,27 3.164,28 9.926,29 1.822,30 2.252,31 5,32 96.636,33 2.783,34 14.344,35 0.329,36 2.863,37 30.966,38 3.516,39 3.516,40 1.25,42 7.509,43 6.273,44 6.694,45 4.997,47 1.438,48 7.107,49 0.777,50 1.657,51 14.581,52 4.89,53 23.908,54 116.864,55 8.035,56 0.5,57 4.116,58 4.217,59 3.739,60 3.656,61 5.253,62 3.642,63 4.654,64 4.803,65 4.133,66 4.055,67 5.81,68 4.019,69 4.94,70 5.2}
{0 CHEMBL1997534,2 3.03,3 17.871,4 3.981,5 20.996,6 1.713,7 4.861,8 1,9 1.729,10 3.953,11 4.133,12 4,13 0.194,14 127.006,15 2,16 2,17 11318,18 1,19 1.771,20 5.335,21 37.75,22 4,23 4.084,24 51.337,25 2.124,26 3.084,27 3.255,28 12.561,29 1.772,30 2.561,31 4,32 90.832,33 2.887,34 13.431,35 0.57,36 2.949,37 31.928,38 3.388,39 3.388,40 1.409,41 3,42 7.677,43 6.513,44 6.939,45 5.059,47 1.465,48 7.371,49 1.289,50 1.569,51 11.793,52 5.159,53 26.61,54 118.525,55 7.799,56 0.656,57 4.045,58 4.155,59 3.697,60 3.664,61 5.153,62 3.612,63 4.555,64 4.716,65 4.092,66 4.061,67 5.609,68 3.988,69 4.722,70 5.2}
{0 CHEMBL1997597,2 2.856,3 8.618,4 3.994,5 5.975,6 1.642,7 4.472,8 1,9 1.694,10 4.003,11 4.131,12 6,13 1.914,14 92.449,15 4,16 4,17 5053,18 1,19 1.838,20 4.754,21 31.5,22 3,23 4.053,24 82.628,25 1.752,26 2.907,27 2.657,28 7.544,29 1.803,30 1.729,31 5,32 74.007,33 2.516,34 11.415,35 0.218,36 2.622,37 20.26,38 1.585,39 1.585,40 1.114,41 1,42 7.491,43 6.302,44 6.807,45 4.614,47 1.455,48 7.265,49 0.985,50 1.758,51 9.5,52 2.517,53 6.335,54 89.807,55 8.327,56 0.667,57 3.757,58 3.869,59 3.593,60 3.353,61 4.875,62 3.309,63 4.258,64 4.395,65 3.839,66 3.728,67 5.625,68 3.672,69 4.487,70 5.4}
{0 CHEMBL1997617,1 1,3 28.063,4 3.972,5 34.175,6 1.952,7 14.099,9 1.939,10 3.917,11 4.166,12 4,13 0.121,14 153.599,15 2,16 2,17 22094,18 1,19 1.98,20 5.233,21 45.5,22 3,23 4.053,24 74.616,25 1.876,26 3.277,27 3.338,28 17.487,29 1.99,30 2.38,31 1,32 109.741,33 2.941,34 15.928,35 0.825,36 2.927,37 48.663,38 4.167,39 4.167,40 1.513,42 8.052,43 6.732,44 7.208,45 5.63,47 1.439,48 7.698,49 1.033,50 1.424,51 14.75,52 4.738,53 22.449,54 145.54,55 6.896,56 0.537,57 4.347,58 4.48,59 3.869,60 3.878,61 5.338,62 3.847,63 4.925,64 5.119,65 4.239,66 4.308,67 5.835,68 4.254,69 5.227,70 6.3}
{0 CHEMBL1997623,2 2.728,3 19.34,4 3.984,5 26.901,6 1.689,7 4.276,8 1,9 1.743,10 3.951,11 4.121,12 7,13 2.452,14 141.596,15 5,16 5,17 13626,18 1,19 1.889,20 5.203,21 42.25,22 4,23 4.034,24 102.245,25 1.58,26 3.208,27 3.221,28 7.627,29 1.888,30 2.496,31 6,32 90.592,33 2.735,34 12.047,35 0.218,36 2.756,37 21.806,38 3.943,39 3.943,40 1.181,42 7.565,43 6.486,44 6.959,45 4.859,47 1.453,48 7.326,49 1.129,50 1.771,51 13.4,52 4.142,53 17.159,54 107.32,55 8.944,56 0.667,57 3.97,58 4.088,59 3.664,60 3.513,61 5.25,62 3.539,63 4.459,64 4.587,65 4.116,66 3.898,67 6.182,68 3.91,69 4.657,70 5.2}
{0 CHEMBL1997759,3 11.833,4 3.935,5 17.048,6 1.648,7 2.757,9 1.681,10 3.908,11 4.136,12 2,13 -0.332,14 100.462,15 1,16 1,17 8150,18 1,19 1.862,20 5.089,21 39.5,22 2,23 3.986,24 52.623,25 0.506,26 3.01,27 3.046,28 7.066,29 1.866,30 2.313,31 3,32 80.097,33 2.735,34 11.082,35 0.218,36 2.687,37 19.149,38 2.665,39 2.665,40 1.181,41 1,42 7.705,43 6.531,44 6.996,45 4.748,47 1.443,48 7.444,49 0.961,50 1.572,51 10.692,52 3.061,53 9.368,54 98.186,55 8.2,56 0.759,57 3.864,58 3.97,59 3.523,60 3.436,61 5.069,62 3.44,63 4.331,64 4.468,65 3.86,66 3.787,67 5.515,68 3.781,69 4.509,70 5.2}
{0 CHEMBL1997764,1 1,2 3.174,3 11.833,4 3.943,5 15.343,6 1.632,7 11.771,8 1,9 1.649,10 3.924,11 4.138,12 3,13 0.213,14 106.443,15 2,16 2,17 8526,18 1,19 1.932,20 4.944,21 39.25,22 4,23 4.043,24 51.582,25 1.745,26 2.918,27 2.838,28 7.744,29 1.94,30 1.977,31 4,32 79.458,33 2.735,34 11.144,35 0.218,36 2.687,37 20.191,38 2.581,39 2.581,40 1.181,42 7.66,43 6.517,44 6.964,45 4.767,47 1.452,48 7.382,49 1.078,50 1.508,51 11.462,52 3.319,53 11.016,54 99.795,55 7.986,56 0.759,57 3.876,58 3.982,59 3.51,60 3.475,61 5.059,62 3.467,63 4.345,64 4.479,65 3.846,66 3.845,67 5.508,68 3.82,69 4.537,70 5.9}
{0 CHEMBL1997822,1 1,2 3.344,3 8.74,4 4.086,5 6.455,6 1.802,7 19.746,8 1,9 1.792,10 4.081,11 4.189,12 5,13 0.867,14 216.318,15 3,16 3,17 11576,18 1,19 1.903,20 5.339,21 44.25,22 6,23 4.18,24 66.468,25 4.135,26 3.38,27 3.348,28 12.824,29 1.886,30 2.698,31 5,32 101.488,33 2.812,34 16.272,35 0.35,36 2.815,37 32.162,38 4.352,39 4.352,40 1.286,41 3,42 8.633,43 7.089,44 7.66,45 4.975,47 1.481,48 8.205,49 0.996,50 1.666,51 10.767,52 4.336,53 18.797,54 124.154,55 8.849,56 0.765,57 4.013,58 4.1,59 3.897,60 3.738,61 5.119,62 3.665,63 4.52,64 4.635,65 4.221,66 4.148,67 5.805,68 4.073,69 4.732,70 5.2}
{0 CHEMBL1997846,1 1,2 3.152,3 11.088,4 3.955,5 19.407,6 1.623,7 56.319,8 1,9 1.632,10 3.896,11 4.122,12 3,13 0.321,14 84.619,15 2,16 2,17 5897,18 1,19 1.877,20 4.821,21 30.25,22 2,23 4.006,24 85.153,25 1.825,26 2.97,27 2.917,28 6.564,29 1.897,30 2.108,31 5,32 73.065,33 2.528,34 10.536,35 0.303,36 2.758,37 21.556,38 2.557,39 2.557,40 1.198,42 7.441,43 6.336,44 6.784,45 4.698,47 1.4,48 7.243,49 0.811,50 1.549,51 9.217,52 3.953,53 15.629,54 91.288,55 7.996,56 0.615,57 3.831,58 3.961,59 3.471,60 3.403,61 4.864,62 3.377,63 4.385,64 4.563,65 3.861,66 3.816,67 5.405,68 3.758,69 4.668,70 6.1}
{0 CHEMBL1997872,1 1,2 3.087,3 8.912,4 3.951,5 9.739,6 1.685,7 11.771,8 1,9 1.689,10 3.918,11 4.118,12 2,13 -0.326,14 88.279,15 1,16 1,17 6065,18 1,19 1.843,20 4.822,21 31,22 4,23 4.024,24 36.695,25 1.932,26 2.866,27 2.705,28 7.287,29 1.845,30 1.773,31 2,32 70.918,33 2.587,34 9.968,35 0.295,36 2.606,37 18.989,38 2.324,39 2.324,40 1.211,42 7.45,43 6.286,44 6.781,45 4.67,47 1.454,48 7.199,49 0.992,50 1.539,51 9.348,52 1.652,53 2.73,54 87.525,55 7.684,56 0.615,57 3.812,58 3.923,59 3.421,60 3.37,61 4.903,62 3.363,63 4.353,64 4.51,65 3.765,66 3.767,67 5.412,68 3.74,69 4.566,70 5.5}
{0 CHEMBL1998112,3 19.544,4 3.94,5 28.736,6 1.585,7 11.771,9 1.59,10 3.914,11 4.131,12 1,13 0.926,14 114.293,15 3,16 3,17 9979,18 2,19 1.874,20 5.22,21 42.75,22 2,23 3.978,24 85.765,25 0.698,26 3.07,27 2.991,28 8.614,29 1.897,30 2.22,31 3,32 89.51,33 2.872,34 12.444,35 0.274,36 2.903,37 26.447,38 3.177,39 3.177,40 1.404,42 8.028,43 6.668,44 7.165,45 5.025,46 1,47 1.42,48 7.64,49 1.209,50 1.641,51 10.241,52 2.934,53 8.608,54 106.952,55 8.114,56 0.688,57 4,58 4.11,59 3.637,60 3.506,61 5.222,62 3.525,63 4.473,64 4.62,65 3.988,66 3.864,67 5.69,68 3.872,69 4.623,70 5.2}
{0 CHEMBL1998121,2 2.874,3 15.022,4 3.972,5 19.461,6 1.6,7 2.144,8 1,9 1.65,10 3.95,11 4.101,12 2,13 1.819,14 107.206,15 4,16 4,17 6179,18 1,19 1.786,20 5.172,21 31,22 2,23 3.993,24 84.234,25 1.841,26 3.194,27 2.82,28 7.881,29 1.769,30 1.948,31 6,32 78.122,33 2.644,34 11.065,35 0.164,36 2.81,37 23.149,38 2.417,39 2.417,40 1.092,41 1,42 6.43,43 6.051,44 6.36,45 4.766,47 1.398,48 6.652,49 1.021,50 1.735,51 9.417,52 3.026,53 9.154,54 96.248,55 9.082,56 0.615,57 3.799,58 3.919,59 3.521,60 3.4,61 4.976,62 3.375,63 4.288,64 4.433,65 3.91,66 3.806,67 5.431,68 3.751,69 4.567,70 7.3}
{0 CHEMBL1998159,2 2.924,3 15.472,4 3.994,5 15.035,6 1.766,7 2.757,8 1,9 1.773,10 3.964,11 4.111,12 3,13 0.908,14 136.137,15 3,16 3,17 14537,18 1,19 1.862,20 5.368,21 40.5,22 4,23 3.994,24 99.794,25 1.751,26 3.25,27 3.238,28 9.204,29 1.871,30 2.326,31 3,32 94.06,33 2.791,34 12.4,35 0.26,36 2.828,37 24.167,38 4.125,39 4.125,40 1.231,41 1,42 7.518,43 6.449,44 6.9,45 4.964,47 1.432,48 7.275,49 0.965,50 1.733,51 12.903,52 3.432,53 11.781,54 110.539,55 8.382,56 0.647,57 4.057,58 4.174,59 3.705,60 3.578,61 5.267,62 3.593,63 4.589,64 4.742,65 4.137,66 3.955,67 6.177,68 3.963,69 4.774,70 7.2}
{0 CHEMBL1998193,3 20.284,4 3.914,5 26.661,6 1.784,7 8.552,9 1.785,10 3.866,11 3.905,12 2,13 1.773,15 4,16 4,17 10391,19 1.946,20 4.404,21 33,23 3.766,24 105.614,26 3.092,27 2.813,28 6.325,29 1.929,30 1.827,31 4,32 80.303,33 2.652,34 10.388,35 0.271,36 2.681,37 25.042,38 2.136,39 2.136,40 1.245,42 4.49,43 4.78,44 4.88,45 4.893,47 1.335,48 5.016,49 0.963,50 1.592,51 15,52 0.965,53 0.931,54 97.856,55 7.13,56 0.444,57 3.985,58 4.132,59 3.489,60 3.433,61 5.108,62 3.421,63 4.491,64 4.691,65 3.733,66 3.765,67 5.624,68 3.7,69 4.757,70 5.2}
{0 CHEMBL1998414,2 2.91,3 11.772,4 3.952,5 8.296,6 1.528,7 4.115,8 1,9 1.553,10 3.924,11 4.103,12 1,13 0.378,15 2,16 2,17 4987,18 1,19 1.733,20 4.651,21 26.5,22 2,23 4.07,24 51.337,25 1.887,26 2.879,27 2.521,28 6.949,29 1.736,30 1.517,31 3,32 69.984,33 2.43,34 10.295,35 0.218,36 2.675,37 20.548,38 1.947,39 1.947,40 1.152,41 2,42 6.008,43 5.974,44 6.171,45 4.391,47 1.399,48 6.039,49 1.099,50 1.796,51 10.286,52 3.409,53 11.623,54 87.35,55 9.138,56 0.652,57 3.669,58 3.776,59 3.461,60 3.329,61 4.801,62 3.271,63 4.166,64 4.312,65 3.877,66 3.723,67 5.285,68 3.636,69 4.339,70 5.2}
{0 CHEMBL1998435,3 7.215,4 3.866,5 11.409,6 1.48,7 2.328,9 1.481,10 3.824,11 4.098,12 3,13 0.311,15 2,16 2,17 3870,19 1.778,20 4.786,21 29.25,22 4,23 4.043,24 51.582,25 2.215,26 2.691,27 2.5,28 6.032,29 1.774,30 1.5,31 1,32 61.302,33 2.423,34 8.313,35 0.138,36 2.511,37 15.668,38 1.744,39 1.744,40 1.07,42 7.658,43 6.291,44 6.776,45 4.512,47 1.409,48 7.225,49 1.108,50 1.49,51 9.1,52 1.764,53 3.112,54 80.13,55 7.581,56 0.773,57 3.66,58 3.777,59 3.244,60 3.241,61 4.814,62 3.222,63 4.129,64 4.288,65 3.534,66 3.605,67 5.227,68 3.56,69 4.354,70 5.2}
{0 CHEMBL1998545,3 8.636,4 3.951,5 8.45,6 1.759,9 1.751,10 3.919,11 4.012,12 6,13 0.194,15 2,16 2,17 7813,19 1.862,20 4.87,21 34.5,22 4,23 3.949,24 34.796,26 2.845,27 2.782,28 8.947,29 1.867,30 1.854,31 2,32 75.743,33 2.735,34 10.3,35 0.218,36 2.687,37 23.936,38 2.275,39 2.275,40 1.181,42 6.646,43 5.76,44 6.166,45 4.879,47 1.426,48 6.383,49 1.052,50 1.432,51 11.56,52 2.8,53 7.839,54 97.844,55 7.387,56 0.667,57 3.883,58 3.995,59 3.436,60 3.487,61 5.035,62 3.453,63 4.363,64 4.513,65 3.726,66 3.85,67 5.469,68 3.786,69 4.646,70 5.2}
{0 CHEMBL1998551,3 16.133,4 4.058,5 16.328,6 1.772,7 32.677,9 1.746,10 4.004,11 4.16,12 1,13 -0.268,14 99.363,15 1,16 1,17 9822,18 2,19 1.837,20 5.054,21 37.75,22 1,23 4.002,24 69.838,25 0.488,26 3.033,27 3.063,28 6.686,29 1.834,30 2.255,31 2,32 87.985,33 2.637,34 12.777,35 0.441,36 2.735,37 18.649,38 4.406,39 4.406,40 1.289,41 1,42 8.321,43 6.897,44 7.391,45 4.858,47 1.482,48 7.907,49 0.65,50 1.746,51 9.345,52 3.55,53 12.6,54 104.045,55 8.435,56 0.636,57 4.003,58 4.12,59 3.674,60 3.519,61 5.202,62 3.538,63 4.547,64 4.709,65 4.126,66 3.934,67 5.761,68 3.956,69 4.802,70 5.2}
{0 CHEMBL1998585,3 19.296,4 3.982,5 24.778,6 1.567,7 33.335,9 1.617,10 3.954,11 4.093,12 5,13 1.696,14 142.291,15 4,16 4,17 14089,19 1.885,20 5.124,21 43.5,22 4,23 4.08,24 102.49,25 1.471,26 3.293,27 3.393,28 8.781,29 1.903,30 2.644,31 4,32 98.564,33 2.735,34 12.533,35 0.195,36 2.754,37 22.751,38 4.079,39 4.079,40 1.162,42 7.611,43 6.573,44 6.96,45 4.836,47 1.413,48 7.362,49 1.096,50 1.956,51 12.806,52 4.124,53 17.008,54 110.765,55 10.169,56 0.647,57 3.943,58 4.042,59 3.776,60 3.527,61 5.283,62 3.546,63 4.432,64 4.545,65 4.24,66 3.904,67 6.223,68 3.916,69 4.605,70 7}
{0 CHEMBL1998611,3 9.232,4 3.555,5 8.379,6 1.05,7 2.104,9 0.968,10 3.528,11 4.09,12 4,13 2.35,14 51.4,15 4,16 4,17 1269,19 1.38,20 4.202,21 19,22 1,23 4.13,24 111.748,25 1.527,26 2.886,27 1.467,28 3.428,29 1.398,30 0.207,31 1,32 58.903,33 1.599,34 8.477,36 2.068,37 20.123,38 -2,39 -2,40 0.142,41 2,42 6.409,43 6.087,44 6.281,45 3.736,46 1,47 1.37,48 6.533,49 1.432,50 2.2,51 5.067,52 2.652,53 7.031,54 66.929,55 14.552,56 0.625,57 3.198,58 3.276,59 3.373,60 2.98,61 4.51,62 2.907,63 3.606,64 3.671,65 3.891,66 3.417,67 4.989,68 3.306,69 3.796,70 5.3}
{0 CHEMBL1998829,1 1,2 3.167,3 9.121,4 3.937,5 11.333,6 1.63,7 11.771,8 1,9 1.643,10 3.917,11 4.137,12 4,13 0.233,14 99.756,15 2,16 2,17 7607,18 1,19 1.928,20 4.875,21 38,22 4,23 4.043,24 51.582,25 1.739,26 2.927,27 2.829,28 6.393,29 1.931,30 1.975,31 4,32 78.29,33 2.735,34 11.383,35 0.218,36 2.687,37 15.553,38 2.579,39 2.579,40 1.181,42 7.65,43 6.492,44 6.93,45 4.586,47 1.447,48 7.378,49 1.045,50 1.58,51 10.72,52 4,53 15.998,54 98.136,55 8.918,56 0.786,57 3.785,58 3.886,59 3.511,60 3.45,61 4.98,62 3.431,63 4.242,64 4.36,65 3.886,66 3.836,67 5.448,68 3.797,69 4.482,70 5.2}
{0 CHEMBL1998953,1 1,2 3.288,3 9.679,4 3.89,5 13.321,6 1.61,7 14.099,8 1,9 1.616,10 3.84,11 4.137,12 3,13 -0.338,14 71.402,15 1,16 1,17 4251,18 1,19 1.872,20 4.516,21 28.75,22 3,23 4.027,24 53.481,25 2.065,26 2.866,27 2.5,28 6.832,29 1.887,30 1.5,31 2,32 64.533,33 2.658,34 8.97,35 0.218,36 2.687,37 19.734,38 2.136,39 2.136,40 1.181,42 7.502,43 6.372,44 6.843,45 4.734,47 1.449,48 7.269,49 0.882,50 1.374,51 7.667,52 3.541,53 12.539,54 85.813,55 7.138,56 0.667,57 3.774,58 3.906,59 3.333,60 3.344,61 4.78,62 3.314,63 4.325,64 4.514,65 3.674,66 3.761,67 5.26,68 3.699,69 4.575,70 6.3}
{0 CHEMBL1999112,3 18.873,4 3.904,5 19.083,6 1.603,7 34.44,9 1.587,10 3.899,11 4.05,12 1,13 0.296,14 115.897,15 2,16 2,17 8927,19 1.733,20 5.26,21 37.25,23 3.959,24 67.081,26 3.153,27 3.179,28 9.967,29 1.729,30 2.184,31 1,32 93.477,33 2.562,34 12.994,35 0.279,36 2.847,37 22.693,38 2.597,39 2.597,40 1.255,41 2,42 7.39,43 6.382,44 6.782,45 4.859,47 1.441,48 7.148,49 1.123,50 1.791,51 8.759,52 2.179,53 4.747,54 105.915,55 9.306,56 0.313,57 3.932,58 4.003,59 3.716,60 3.511,61 5.223,62 3.518,63 4.423,64 4.521,65 4.132,66 3.898,67 5.687,68 3.89,69 4.595,70 5.2}
{0 CHEMBL1999126,3 19.468,4 4.063,5 21.615,6 1.723,7 2.144,9 1.714,10 4.021,11 4.171,12 3,13 -0.361,14 203.157,15 1,16 1,17 12180,18 2,19 1.946,20 5.22,21 46.25,22 1,23 4.052,24 68.184,25 1.276,26 3.162,27 3.236,28 8.759,29 1.946,30 2.474,31 1,32 93.406,33 2.798,34 13.673,35 0.3,36 2.883,37 22.886,38 4.199,39 4.199,40 1.245,41 1,42 8.377,43 7.027,44 7.521,45 4.978,47 1.494,48 8.014,49 0.999,50 1.561,51 10.806,52 4.642,53 21.552,54 116.302,55 8.489,56 0.6,57 4.003,58 4.102,59 3.688,60 3.616,61 5.255,62 3.617,63 4.482,64 4.617,65 4.096,66 4.008,67 5.668,68 4.003,69 4.7,70 5.2}
{0 CHEMBL1999321,3 22.114,4 3.953,5 30.939,6 1.865,9 1.88,10 3.932,11 4.005,12 1,13 0.194,15 2,16 2,17 13230,19 1.95,20 5.002,21 42,22 1,23 3.903,24 52.807,26 2.885,27 2.96,28 8.333,29 1.935,30 2.044,31 3,32 88.555,33 2.735,34 12.343,35 0.218,36 2.687,37 21.011,38 2.972,39 2.972,40 1.181,42 6.751,43 5.735,44 6.072,45 4.807,47 1.437,48 6.462,49 1.007,50 1.538,51 14,52 2.579,53 6.652,54 112.669,55 8.03,56 0.563,57 3.979,58 4.081,59 3.61,60 3.57,61 5.169,62 3.563,63 4.433,64 4.57,65 3.9,66 3.88,67 5.61,68 3.859,69 4.679,70 5.2}
{0 CHEMBL1999428,3 8.707,4 3.948,5 12.096,6 1.683,9 1.662,10 3.915,11 4.013,12 1,13 -0.412,15 1,16 1,17 6215,19 1.849,20 4.656,21 33.25,22 4,23 3.95,24 34.796,26 2.687,27 2.559,28 8.37,29 1.85,30 1.573,31 3,32 68.909,33 2.735,34 9.661,35 0.218,36 2.687,37 21.595,38 2.136,39 2.136,40 1.181,42 6.687,43 5.766,44 6.181,45 4.792,47 1.461,48 6.374,49 1.146,50 1.37,51 10.783,52 3.367,53 11.336,54 91.545,55 7.376,56 0.72,57 3.786,58 3.901,59 3.351,60 3.423,61 4.921,62 3.382,63 4.26,64 4.415,65 3.654,66 3.78,67 5.359,68 3.714,69 4.519,70 5.2}
{0 CHEMBL1999496,3 21.736,4 3.909,5 33.345,6 1.575,9 1.601,10 3.865,11 4.12,12 4,13 -0.446,15 1,16 1,17 7452,19 1.961,20 4.595,21 35.75,22 4,23 4.07,24 34.796,26 2.941,27 2.931,28 11.637,29 1.94,30 2.085,31 3,32 77.039,33 2.735,34 11.577,35 0.485,36 2.687,37 27.632,38 2.572,39 2.572,40 1.332,42 6.802,43 5.965,44 6.292,45 5.055,47 1.487,48 6.623,49 1.029,50 1.332,51 8.962,52 4.052,53 16.422,54 103.679,55 7.135,56 0.621,57 3.948,58 4.065,59 3.492,60 3.589,61 5.022,62 3.54,63 4.442,64 4.607,65 3.808,66 3.96,67 5.451,68 3.885,69 4.689,70 5.2}
{0 CHEMBL1999556,3 2.824,4 3.85,5 2.351,6 1.244,7 2.104,9 1.228,10 3.827,11 4.103,12 1,13 0.374,14 62.347,15 2,16 2,17 2623,19 1.68,20 4.45,21 26.5,22 3,23 4.111,24 49.683,25 2,26 2.687,27 2.543,28 4.898,29 1.696,30 1.5,32 57.973,33 2.074,34 8.535,36 2.239,37 11.431,38 1.268,39 1.268,40 0.926,41 2,42 7.377,43 6.344,44 6.78,45 4.179,47 1.461,48 7.198,49 1.096,50 1.646,51 7,52 2.353,53 5.538,54 72.78,55 9.083,56 0.8,57 3.456,58 3.547,59 3.26,60 3.184,61 4.687,62 3.13,63 3.888,64 3.993,65 3.654,66 3.581,67 5.145,68 3.495,69 4.071,70 5.5}
{0 CHEMBL1999590,3 13.843,4 3.919,5 13.388,6 1.693,7 24.633,9 1.69,10 3.901,11 4.062,12 2,13 -0.294,15 1,16 1,17 8707,18 1,19 1.721,20 5.089,21 39.25,22 1,23 3.938,24 86.562,26 2.897,27 2.967,28 5.549,29 1.733,30 2.075,31 1,32 80.473,33 2.613,34 11.176,35 0.218,36 2.681,37 16.231,38 2.51,39 2.51,40 1.181,41 2,42 7.459,43 6.252,44 6.681,45 4.647,47 1.431,48 7.089,49 0.925,50 1.578,51 10.885,52 4.298,53 18.469,54 102.142,55 8.2,56 0.759,57 3.871,58 3.99,59 3.534,60 3.41,61 5.078,62 3.419,63 4.319,64 4.474,65 3.849,66 3.737,67 5.489,68 3.738,69 4.456,70 5.2}
{0 CHEMBL1999714,3 17.388,4 3.845,5 29.596,6 1.392,9 1.395,10 3.817,11 4.031,13 0.353,15 2,16 2,17 2165,18 1,19 1.527,20 4.694,21 25.25,22 2,23 3.943,24 36.022,26 2.705,27 2.529,28 5.147,29 1.528,30 1.478,31 5,32 50.817,33 2.253,34 7.595,36 2.207,37 14.292,38 -0.291,39 -0.291,40 0.949,42 6.82,43 5.768,44 6.099,45 4.38,47 1.477,48 6.478,49 0.997,50 1.468,51 6.294,52 2.821,53 7.958,54 66.782,55 7.734,56 0.632,57 3.483,58 3.599,59 3.093,60 3.102,61 4.625,62 3.081,63 3.959,64 4.103,65 3.461,66 3.483,67 5.098,68 3.444,69 4.25,70 5.2}
{0 CHEMBL1999718,3 19.502,4 3.935,5 24.828,6 1.506,7 6.604,9 1.559,10 3.895,11 4.086,12 3,13 0.365,15 2,16 2,17 8004,19 1.685,20 5.038,21 38.75,22 3,23 4.008,24 100.652,25 0.47,26 3.086,27 3.109,28 5.115,29 1.721,30 2.372,31 3,32 79.087,33 2.546,34 9.905,35 0.067,36 2.622,37 13.547,38 2.275,39 2.275,40 0.979,42 7.277,43 6.354,44 6.718,45 4.541,47 1.405,48 6.987,49 1.071,50 1.862,51 11.615,52 2.919,53 8.52,54 86.281,55 9.926,56 0.607,57 3.734,58 3.834,59 3.51,60 3.279,61 5.123,62 3.332,63 4.22,64 4.341,65 3.957,66 3.626,67 6.093,68 3.674,69 4.399,70 5.2}
{0 CHEMBL1999749,3 30.181,4 4.085,5 43.862,6 1.915,7 2.328,9 1.907,10 4.044,11 4.123,12 2,13 0.064,15 2,16 2,17 35101,18 1,19 1.978,20 5.659,21 56.5,22 4,23 4.046,24 54.706,25 1.806,26 3.36,27 3.6,28 15.24,29 1.974,30 2.968,31 4,32 125.639,33 2.98,34 18.025,35 0.805,36 3.1,37 39.88,38 5.683,39 5.683,40 1.577,42 8.309,43 6.826,44 7.318,45 5.411,47 1.44,48 7.812,49 0.953,50 1.454,51 17.902,52 5.979,53 35.744,54 160.496,55 7.462,56 0.617,57 4.403,58 4.51,59 3.987,60 3.984,61 5.48,62 3.964,63 4.925,64 5.08,65 4.319,66 4.375,67 5.939,68 4.333,69 5.168,70 5.2}
{0 CHEMBL1999774,3 16.708,4 3.906,5 19.487,6 1.605,7 2.328,9 1.592,10 3.849,11 4.093,12 1,13 1.908,15 4,16 4,17 4842,19 1.736,20 4.953,21 28,22 3,23 3.992,24 69.593,25 0.55,26 2.983,27 2.755,28 7.28,29 1.751,30 1.799,31 4,32 72.307,33 2.53,34 10.48,35 0.055,36 2.654,37 30.572,38 1.728,39 1.728,40 0.969,42 7.593,43 6.451,44 6.858,45 4.856,46 1,47 1.426,48 7.238,49 0.908,50 1.801,51 8.957,52 1.521,53 2.313,54 84.873,55 8.42,56 0.44,57 3.817,58 3.929,59 3.459,60 3.31,61 5.021,62 3.314,63 4.345,64 4.513,65 3.883,66 3.74,67 5.565,68 3.72,69 4.617,70 5.2}
{0 CHEMBL1999811,3 13.263,4 3.94,5 15.16,6 1.347,7 4.276,9 1.366,10 3.921,11 4.043,12 2,13 1.951,14 99.4,15 4,16 4,17 6312,19 1.633,20 5.087,21 33.25,22 1,23 3.967,24 82.514,25 1.304,26 2.836,27 2.951,28 4.585,29 1.69,30 2.065,31 5,32 75.789,33 2.363,34 10.439,36 2.576,37 15.641,38 2.232,39 2.232,40 1.009,42 6.353,43 6.024,44 6.247,45 4.326,46 1,47 1.424,48 6.541,49 1.059,50 1.919,51 10.522,52 2.185,53 4.773,54 86.831,55 9.687,56 0.64,57 3.69,58 3.782,59 3.514,60 3.221,61 5.039,62 3.246,63 4.074,64 4.184,65 3.8,66 3.567,67 5.467,68 3.568,69 4.291,70 5.8}
{0 CHEMBL1999918,3 5.614,4 3.863,5 3.628,6 1.241,7 32.024,9 1.226,10 3.853,11 4.108,12 1,13 0.425,14 76,15 2,16 2,17 3752,19 1.68,20 4.736,21 28.5,22 3,23 4.113,24 95.637,25 1.299,26 2.893,27 2.92,28 5.036,29 1.695,30 2.104,32 75.469,33 2.074,34 9.973,36 2.537,37 11.102,38 1.515,39 1.515,40 0.779,41 2,42 7.636,43 6.523,44 6.937,45 4.222,47 1.407,48 7.389,49 1.125,50 2.059,51 7.762,52 3.513,53 12.338,54 80.835,55 13.186,56 0.696,57 3.495,58 3.562,59 3.573,60 3.234,61 4.869,62 3.205,63 3.938,64 4.012,65 4.056,66 3.647,67 5.387,68 3.599,69 4.157,70 5.5}
{0 CHEMBL1999931,2 2.908,3 15.901,4 4.001,5 24.25,6 1.695,7 11.771,8 1,9 1.745,10 3.95,11 4.131,12 2,13 0.21,14 124.296,15 2,16 2,17 13622,18 2,19 1.984,20 5.21,21 45,22 4,23 4.021,24 86.317,25 1.577,26 3.154,27 3.18,28 6.78,29 1.974,30 2.445,31 3,32 91.969,33 2.735,34 13.124,35 0.25,36 2.757,37 20.754,38 3.209,39 3.209,40 1.215,42 7.929,43 6.591,44 7.099,45 4.826,47 1.473,48 7.569,49 1.013,50 1.531,51 12.933,52 4.233,53 17.918,54 116.156,55 8.218,56 0.794,57 4.003,58 4.122,59 3.667,60 3.599,61 5.195,62 3.593,63 4.468,64 4.61,65 4.008,66 3.981,67 5.626,68 3.957,69 4.685,70 7.1}
{0 CHEMBL2000071,1 1,2 3.177,3 8.984,4 3.858,5 14.205,6 1.614,7 14.099,8 1,9 1.622,10 3.819,11 4.129,12 5,13 1.103,14 73.196,15 3,16 3,17 3591,18 1,19 1.817,20 4.781,21 27.75,22 3,23 4.021,24 68.367,25 1.794,26 2.721,27 2.5,28 5.449,29 1.813,30 1.5,31 5,32 61.913,33 2.43,34 8.163,35 0.126,36 2.49,37 16.803,38 1.963,39 1.963,40 1.116,42 7.339,43 6.274,44 6.725,45 4.581,46 2,47 1.401,48 7.15,49 0.908,50 1.542,51 8.35,52 1.793,53 3.216,54 80.595,55 7.454,56 0.727,57 3.696,58 3.825,59 3.261,60 3.221,61 4.826,62 3.21,63 4.183,64 4.357,65 3.56,66 3.597,67 5.257,68 3.552,69 4.391,70 6.2}
{0 CHEMBL2000104,3 6.559,4 3.989,5 5.174,6 1.68,7 2.104,9 1.694,10 4.015,11 4.139,12 1,13 0.364,14 92.528,15 2,16 2,17 5190,19 1.739,20 4.703,21 32.5,22 3,23 4.15,24 49.683,25 1.742,26 2.961,27 2.855,28 7.664,29 1.706,30 2.002,32 80.179,33 2.735,34 12.465,35 0.171,36 2.687,37 17.414,38 2.275,39 2.275,40 1.121,41 2,42 7.723,43 6.545,44 7.021,45 4.595,47 1.438,48 7.433,49 1.007,50 1.802,51 9.348,52 2.228,53 4.964,54 91.282,55 9.364,56 0.64,57 3.725,58 3.798,59 3.685,60 3.449,61 4.89,62 3.367,63 4.227,64 4.33,65 4.016,66 3.847,67 5.639,68 3.752,69 4.447,70 5.2}
{0 CHEMBL2000114,1 1,2 3.109,3 11.313,4 3.709,5 16.481,6 1.459,7 14.099,8 1,9 1.404,10 3.639,11 4.089,12 2,13 1.372,14 58.363,15 3,16 3,17 1790,18 1,19 1.679,20 4.548,21 19.75,22 1,23 3.971,24 68.367,25 1.86,26 2.565,27 1.804,28 4.665,29 1.664,30 0.758,31 4,32 55.283,33 1.962,34 6.736,36 2.118,37 15.532,38 -0.361,39 -0.361,40 0.865,42 6.009,43 5.748,44 6.049,45 4.354,46 2,47 1.306,48 6.342,49 1.027,50 1.756,51 7.125,52 0.817,53 0.667,54 68.365,55 7.945,56 0.588,57 3.513,58 3.644,59 3.188,60 3.025,61 4.625,62 2.977,63 4.007,64 4.197,65 3.446,66 3.377,67 5.048,68 3.288,69 4.127,70 5.8}
{0 CHEMBL2000271,2 3.024,3 13.036,4 3.974,5 13.685,6 1.804,7 2.757,8 1,9 1.792,10 3.939,11 4.124,12 4,13 0.847,14 118.745,15 3,16 3,17 10976,18 1,19 1.875,20 5.301,21 37.75,22 4,23 4.034,24 83.009,25 2.086,26 2.952,27 2.97,28 10.493,29 1.875,30 2.172,31 3,32 85.018,33 2.735,34 11.936,35 0.464,36 2.837,37 27.578,38 3.036,39 3.036,40 1.303,41 1,42 7.509,43 6.359,44 6.826,45 5.046,47 1.437,48 7.265,49 0.973,50 1.43,51 11.893,52 3.278,53 10.747,54 112.035,55 7.164,56 0.71,57 4.041,58 4.168,59 3.581,60 3.615,61 5.13,62 3.581,63 4.548,64 4.717,65 3.899,66 4,67 5.542,68 3.943,69 4.789,70 6.1}
{0 CHEMBL2000335,3 18.168,4 3.986,5 24.827,6 1.607,7 18.375,9 1.633,10 3.954,11 4.094,12 6,13 1.662,14 125.105,15 4,16 4,17 11064,19 1.886,20 5.139,21 41,22 5,23 4.08,24 102.49,25 1.721,26 3.025,27 3.254,28 10.512,29 1.904,30 2.478,31 5,32 88.18,33 2.76,34 13.029,35 0.232,36 2.898,37 31.339,38 3.521,39 3.521,40 1.251,42 7.571,43 6.497,44 6.896,45 4.987,47 1.435,48 7.343,49 1.204,50 1.628,51 12.536,52 3.949,53 15.592,54 114.657,55 8.288,56 0.71,57 3.959,58 4.078,59 3.659,60 3.585,61 5.137,62 3.546,63 4.425,64 4.577,65 4.035,66 3.967,67 5.596,68 3.906,69 4.612,70 6}
{0 CHEMBL2000345,2 3.156,3 12.47,4 3.934,5 10.169,6 1.527,7 2.144,8 1,9 1.508,10 3.925,11 4.121,12 3,13 0.296,14 100.417,15 2,16 2,17 5937,18 1,19 1.737,20 4.998,21 34.5,22 2,23 4.015,24 110.585,25 1.688,26 3.005,27 3.063,28 7.073,29 1.764,30 2.234,31 3,32 80.304,33 2.72,34 11.17,35 0.153,36 2.829,37 23.043,38 1.902,39 1.902,40 1.098,41 1,42 7.566,43 6.511,44 6.891,45 4.565,47 1.394,48 7.341,49 1.068,50 1.692,51 9.375,52 4.528,53 20.506,54 95.7,55 10.112,56 0.615,57 3.752,58 3.842,59 3.575,60 3.374,61 5.012,62 3.359,63 4.207,64 4.337,65 3.99,66 3.745,67 5.386,68 3.715,69 4.384,70 5.3}
{0 CHEMBL2000354,3 14.539,4 3.914,5 15.157,6 1.52,7 0.693,9 1.52,10 3.887,11 3.971,12 3,13 0.321,15 2,16 2,17 5948,19 1.62,20 4.865,21 32.5,22 1,23 3.907,24 34.796,26 2.889,27 2.815,28 7.257,29 1.656,30 1.927,31 2,32 74.082,33 2.689,34 10.544,35 0.157,36 2.687,37 19.633,38 2.136,39 2.136,40 1.138,42 6.855,43 5.837,44 6.209,45 4.436,47 1.376,48 6.557,49 0.922,50 1.708,51 10.652,52 3.496,53 12.219,54 91.11,55 8.822,56 0.48,57 3.732,58 3.814,59 3.483,60 3.353,61 4.974,62 3.326,63 4.172,64 4.283,65 3.866,66 3.692,67 5.42,68 3.649,69 4.333,70 5.2}
{0 CHEMBL2000393,3 27.218,4 4.036,5 37.083,6 1.706,7 40.567,9 1.704,10 4.006,11 4.138,12 1,13 -0.265,14 212.383,15 1,16 1,17 12942,18 1,19 1.87,20 5.403,21 45.75,22 1,23 3.996,24 73.391,25 1.09,26 3.175,27 3.331,28 8.146,29 1.898,30 2.56,32 96.564,33 2.754,34 13.04,35 0.102,36 2.833,37 19.496,38 4.312,39 4.312,40 1.108,41 1,42 8.113,43 6.806,44 7.277,45 4.953,47 1.454,48 7.767,49 0.935,50 1.824,51 10.29,52 3.366,53 11.33,54 105.914,55 9.342,56 0.611,57 3.998,58 4.095,59 3.754,60 3.525,61 5.244,62 3.574,63 4.533,64 4.663,65 4.19,66 3.947,67 5.823,68 3.988,69 4.774,70 6.7}
{0 CHEMBL2000408,3 17.09,4 3.904,5 20.604,6 1.858,7 46.347,9 1.864,10 3.869,11 4.167,12 1,13 0.239,14 127.93,15 2,16 2,17 12182,18 1,19 1.971,20 5.253,21 42,22 1,23 4.021,24 86.439,25 0.555,26 3.085,27 3.462,28 10.007,29 1.968,30 2.801,31 2,32 96.194,33 2.733,34 13.606,35 0.479,36 2.893,37 27.532,38 4.721,39 4.721,40 1.417,41 1,42 8.401,43 6.959,44 7.461,45 5.105,46 1,47 1.437,48 8,49 0.572,50 1.672,51 10.813,52 4.069,53 16.557,54 118.112,55 7.831,56 0.629,57 4.133,58 4.258,59 3.731,60 3.638,61 5.318,62 3.639,63 4.659,64 4.844,65 4.139,66 4.026,67 5.829,68 4.021,69 4.896,70 5.2}
{0 CHEMBL2000429,3 18.709,4 3.902,5 24.331,6 1.862,7 51.162,9 1.866,10 3.865,11 4.159,12 1,13 0.235,14 138.324,15 2,16 2,17 14272,18 1,19 1.971,20 5.257,21 44,22 1,23 4.008,24 86.439,25 0.375,26 3.213,27 3.284,28 9.254,29 1.968,30 2.496,31 2,32 103.056,33 2.733,34 14.372,35 0.469,36 2.867,37 29.376,38 4.647,39 4.647,40 1.417,41 1,42 8.409,43 6.947,44 7.475,45 5.154,46 1,47 1.414,48 8.01,49 0.631,50 1.711,51 11.029,52 4.753,53 22.589,54 124.872,55 7.809,56 0.595,57 4.203,58 4.324,59 3.797,60 3.681,61 5.386,62 3.689,63 4.735,64 4.915,65 4.196,66 4.06,67 5.912,68 4.062,69 4.983,70 5.2}
{0 CHEMBL2000481,3 17.323,4 4.027,5 16.035,6 1.838,9 1.824,10 4.019,11 4.094,12 3,13 2.371,15 5,16 5,17 16426,19 1.94,20 5.459,21 46.5,22 4,23 4.071,24 101.864,26 3.327,27 3.308,28 10.224,29 1.93,30 2.584,31 4,32 107.78,33 2.906,34 15.864,35 0.29,36 3.002,37 30.035,38 3.178,39 3.178,40 1.247,42 7.384,43 6.404,44 6.779,45 5.028,47 1.465,48 7.047,49 1.026,50 1.757,51 14.03,52 1.56,53 2.432,54 123.931,55 8.584,56 0.5,57 4.106,58 4.209,59 3.907,60 3.701,61 5.292,62 3.678,63 4.599,64 4.726,65 4.201,66 4.08,67 5.988,68 4.041,69 4.869,70 5.2}
{0 CHEMBL2000508,3 1.628,4 3.881,5 0.662,6 1.464,7 41.259,9 1.44,10 3.852,11 4.156,13 -0.75,17 4212,18 1,19 1.674,20 4.438,21 32,22 2,23 4.071,24 34.858,25 0.918,26 2.687,27 2.692,28 5.012,29 1.703,30 1.785,32 68.812,33 2.483,34 9.211,35 0.218,36 2.623,37 10.086,38 2.253,39 2.253,40 1.158,41 1,42 7.943,43 6.627,44 7.142,45 4.342,47 1.416,48 7.528,49 0.74,50 1.665,51 7.714,52 3.905,53 15.249,54 81.269,55 9.528,56 0.875,57 3.588,58 3.676,59 3.432,60 3.288,61 4.804,62 3.257,63 4.048,64 4.162,65 3.817,66 3.652,67 5.272,68 3.619,69 4.201,70 5.2}
{0 CHEMBL2000568,1 1,2 3.063,3 2.428,4 3.926,5 1.842,6 1.605,7 11.771,8 1,9 1.584,10 3.899,11 4.117,12 2,13 -0.334,14 64.397,15 1,16 1,17 2801,18 1,19 1.687,20 4.748,21 26.75,22 4,23 4.024,24 33.571,25 1.946,26 2.609,27 2.532,28 5.263,29 1.693,30 1.5,31 2,32 53.909,33 2.19,34 7.955,35 0.012,36 2.154,37 12.802,38 1.006,39 1.006,40 0.965,42 7.328,43 6.206,44 6.694,45 4.308,47 1.499,48 7.099,49 1.068,50 1.453,51 7.222,52 2.291,53 5.247,54 70.479,55 7.876,56 0.8,57 3.509,58 3.617,59 3.136,60 3.152,61 4.679,62 3.129,63 3.977,64 4.122,65 3.481,66 3.525,67 5.124,68 3.486,69 4.166,70 5.7}
{0 CHEMBL2000685,3 41.759,4 3.993,5 51.581,6 1.778,7 7.596,9 1.812,10 3.962,11 4.043,12 16,13 13.493,15 18,16 18,17 50224,19 1.979,20 4.186,21 66.5,22 6,23 3.96,24 432.503,26 3.509,27 3.738,28 15.146,29 1.975,30 3.083,31 6,32 154.997,33 3.154,34 23.093,35 0.669,36 3.364,37 45.51,38 5.215,39 5.215,40 1.625,42 7.816,43 6.74,44 7.163,45 5.593,47 1.435,48 7.472,49 0.983,50 1.633,51 17.635,52 -0.795,53 0.632,54 197.783,55 7.705,56 0.333,57 4.611,58 4.775,59 4.16,60 4.037,61 5.926,62 4.048,63 5.018,64 5.209,65 4.492,66 4.377,67 6.329,68 4.359,69 5.249,70 6.5}
{0 CHEMBL2000724,2 2.885,3 7.907,4 3.989,5 6.285,6 1.573,8 1,9 1.606,10 3.962,11 4.134,12 3,13 0.233,14 94.226,15 2,16 2,17 7155,18 1,19 1.865,20 4.958,21 39,22 6,23 4.04,24 81.171,25 1.464,26 3.01,27 3.155,28 6.681,29 1.862,30 2.261,31 2,32 75.161,33 2.698,34 11.008,35 0.218,36 2.687,37 18.346,38 2.476,39 2.476,40 1.181,42 8.007,43 6.718,44 7.201,45 4.743,46 1,47 1.478,48 7.637,49 1.146,50 1.497,51 10.56,52 4.485,53 20.113,54 96.556,55 8.369,56 0.786,57 3.787,58 3.889,59 3.458,60 3.432,61 5.049,62 3.422,63 4.233,64 4.363,65 3.821,66 3.819,67 5.438,68 3.792,69 4.45,70 9}
{0 CHEMBL2000801,3 16.455,4 3.982,5 24.048,6 1.532,7 19.982,9 1.594,10 3.956,11 4.098,12 3,13 0.276,14 139.249,15 2,16 2,17 13186,19 1.873,20 5.13,21 41.5,22 4,23 4.086,24 50.998,25 2.087,26 3.256,27 3.232,28 8.127,29 1.864,30 2.447,31 4,32 95.403,33 2.735,34 12.028,35 0.226,36 2.808,37 18.531,38 3.539,39 3.539,40 1.181,41 1,42 7.444,43 6.469,44 6.909,45 4.78,47 1.431,48 7.268,49 0.982,50 1.866,51 12.267,52 5.401,53 29.173,54 108.031,55 10.033,56 0.667,57 3.908,58 3.996,59 3.747,60 3.532,61 5.215,62 3.54,63 4.405,64 4.51,65 4.191,66 3.918,67 6.18,68 3.913,69 4.598,70 5.2}
{0 CHEMBL2000832,3 29.411,4 3.962,5 42.298,6 1.87,7 14.96,9 1.881,10 3.937,11 4.075,12 4,13 1.467,15 4,16 4,17 21126,18 1,19 1.978,20 5.742,21 52,22 5,23 4,24 54.032,26 3.245,27 3.39,28 12.634,29 1.976,30 2.593,31 8,32 109.421,33 2.929,34 15.316,35 0.34,36 2.999,37 32.704,38 4.174,39 4.174,40 1.322,42 7.941,43 6.648,44 7.063,45 5.228,47 1.455,48 7.453,49 1.064,50 1.626,51 14.472,52 4.567,53 20.853,54 133.341,55 8.337,56 0.6,57 4.183,58 4.28,59 3.832,60 3.763,61 5.421,62 3.768,63 4.662,64 4.785,65 4.209,66 4.15,67 5.92,68 4.142,69 4.952,70 5.6}
{0 CHEMBL2000894,3 19.707,4 3.925,5 26.716,6 1.689,7 11.771,9 1.72,10 3.897,11 4.08,12 5,13 1.629,15 4,16 4,17 9294,18 1,19 1.877,20 5.241,21 41.75,22 4,23 4.006,24 70.573,26 3.048,27 3.174,28 10.436,29 1.887,30 2.362,31 3,32 87.623,33 2.735,34 12.666,35 0.218,36 2.737,37 24.457,38 3.446,39 3.446,40 1.181,42 7.926,43 6.558,44 7.05,45 5.016,47 1.482,48 7.489,49 0.992,50 1.599,51 9.379,52 2.218,53 4.918,54 110.303,55 8.222,56 0.563,57 3.97,58 4.079,59 3.609,60 3.547,61 5.238,62 3.548,63 4.423,64 4.558,65 3.977,66 3.938,67 5.654,68 3.927,69 4.683,70 5.2}
{0 CHEMBL2000934,3 19.816,4 3.949,5 25.872,6 1.575,7 6.604,9 1.615,10 3.909,11 4.085,12 4,13 0.327,15 2,16 2,17 7748,19 1.784,20 5.077,21 35.5,22 2,23 4.014,24 69.593,25 1.455,26 3.052,27 2.914,28 6.79,29 1.766,30 2.111,31 3,32 78.687,33 2.531,34 9.917,35 0.157,36 2.64,37 19.83,38 2.541,39 2.541,40 1.131,42 7.16,43 6.239,44 6.578,45 4.763,47 1.408,48 6.829,49 1.15,50 1.786,51 10.385,52 4.411,53 19.456,54 89.813,55 8.79,56 0.607,57 3.837,58 3.951,59 3.517,60 3.362,61 5.093,62 3.386,63 4.357,64 4.507,65 3.968,66 3.712,67 6.107,68 3.728,69 4.539,70 5.3}
{0 CHEMBL2001224,3 22.43,4 3.907,5 30.145,6 1.75,7 6.604,9 1.728,10 3.856,11 3.983,12 4,13 0.327,15 2,16 2,17 7993,19 1.793,20 4.897,21 35.25,22 1,23 3.891,24 100.652,26 3.099,27 2.998,28 6.396,29 1.751,30 2.147,31 1,32 81.924,33 2.671,34 11.575,35 0.136,36 2.697,37 19.453,38 2.275,39 2.275,40 1.105,42 6.01,43 5.755,44 5.912,45 4.635,47 1.373,48 6.028,49 0.965,50 1.738,51 11,52 3.605,53 12.992,54 96.578,55 8.451,56 0.429,57 3.891,58 4.004,59 3.555,60 3.427,61 5.074,62 3.423,63 4.418,64 4.579,65 3.922,66 3.801,67 5.571,68 3.769,69 4.685,70 5.2}
{0 CHEMBL2001239,3 23.318,4 3.878,5 34.589,6 1.676,7 3.798,9 1.741,10 3.824,11 4.035,12 6,13 2.551,15 5,16 5,17 10558,18 1,19 1.845,20 5.079,21 41.25,22 3,23 3.975,24 119.275,26 3.132,27 3.184,28 7.902,29 1.869,30 2.433,31 5,32 93.828,33 2.621,34 12.393,35 0.157,36 2.786,37 20.347,38 3.974,39 3.974,40 1.181,42 7.384,43 6.188,44 6.581,45 4.903,46 2,47 1.382,48 7.025,49 1.091,50 2.036,51 9.7,52 3.922,53 15.383,54 106.195,55 9.973,56 0.563,57 3.935,58 4.043,59 3.7,60 3.419,61 5.288,62 3.471,63 4.416,64 4.55,65 4.16,66 3.781,67 6.218,68 3.82,69 4.608,70 5.6}
{0 CHEMBL2001257,3 27.434,4 3.968,5 33.376,6 1.895,7 53.182,9 1.891,10 3.934,11 4.119,12 7,13 1.463,14 161.439,15 4,16 4,17 19841,19 1.953,20 5.308,21 46.75,22 5,23 4.127,24 88.829,25 1.96,26 3.382,27 3.464,28 14.364,29 1.944,30 2.635,31 5,32 109.158,33 3.1,34 15.43,35 0.626,36 3.04,37 40.363,38 4.593,39 4.593,40 1.553,41 1,42 8.057,43 6.769,44 7.232,45 5.281,47 1.407,48 7.723,49 1.103,50 1.514,51 15.314,52 5.393,53 29.082,54 147.412,55 7.558,56 0.579,57 4.234,58 4.362,59 3.847,60 3.839,61 5.344,62 3.785,63 4.732,64 4.914,65 4.186,66 4.213,67 5.799,68 4.131,69 4.934,70 5.9}
{0 CHEMBL2001288,3 14.107,4 3.823,5 18.574,6 1.381,7 15.33,9 1.416,10 3.8,11 4.104,12 2,13 3.065,14 71.135,15 5,16 5,17 3186,18 1,19 1.722,20 4.875,21 22.75,22 1,23 4.055,24 84.908,25 0.961,26 2.861,27 2.629,28 8.709,29 1.761,30 1.674,31 1,32 75.634,33 2.09,34 9.925,36 2.438,37 45.021,38 0.907,39 0.907,40 0.877,42 6.759,43 6.078,44 6.453,45 4.56,46 1,47 1.36,48 6.781,49 0.818,50 2.005,51 7.15,52 -0.787,53 0.619,54 77.403,55 12.287,56 0.455,57 3.658,58 3.759,59 3.612,60 3.107,61 4.917,62 3.118,63 4.183,64 4.307,65 4.141,66 3.527,67 5.415,68 3.53,69 4.455,70 5.2}
{0 CHEMBL2001485,3 26.913,4 3.986,5 34.714,6 1.916,7 30.892,9 1.923,10 3.942,11 4.144,12 5,13 1.453,14 176.669,15 4,16 4,17 26815,18 1,19 1.95,20 5.396,21 53.75,22 6,23 4.138,24 107.268,25 1.851,26 3.424,27 3.563,28 14.935,29 1.961,30 2.893,31 5,32 121.267,33 3.082,34 18.004,35 0.619,36 3.115,37 46.189,38 5.451,39 5.451,40 1.533,41 1,42 8.336,43 6.927,44 7.429,45 5.383,47 1.459,48 7.933,49 1.022,50 1.625,51 16.692,52 4.056,53 16.452,54 156.799,55 7.937,56 0.628,57 4.319,58 4.444,59 3.971,60 3.896,61 5.475,62 3.863,63 4.818,64 4.991,65 4.349,66 4.294,67 5.935,68 4.243,69 5.027,70 5.2}
{0 CHEMBL2001547,3 16.265,4 3.896,5 17.95,6 1.841,7 46.347,9 1.839,10 3.867,11 4.164,12 1,13 0.257,14 122.389,15 2,16 2,17 11159,18 1,19 1.943,20 5.232,21 41.5,22 1,23 4.018,24 86.439,25 0.573,26 3.131,27 3.21,28 8.536,29 1.951,30 2.46,31 2,32 93.533,33 2.733,34 13.194,35 0.469,36 2.864,37 24.111,38 3.643,39 3.643,40 1.414,41 1,42 8.356,43 6.918,44 7.441,45 5.007,47 1.428,48 7.96,49 0.659,50 1.695,51 10.129,52 4.122,53 16.988,54 113.578,55 8.009,56 0.647,57 4.086,58 4.208,59 3.703,60 3.59,61 5.284,62 3.598,63 4.605,64 4.783,65 4.113,66 3.966,67 5.826,68 3.971,69 4.86,70 5.2}
{0 CHEMBL2001646,1 1,3 24.325,4 4.09,5 34.892,6 1.948,7 4.901,9 1.943,10 4.073,11 4.193,12 8,13 0.025,14 161.922,15 2,16 2,17 25898,18 2,19 1.999,20 5.861,21 57.25,22 6,23 4.115,24 19.91,25 3.972,26 3.411,27 3.51,28 16.851,29 1.994,30 2.907,31 3,32 120.694,33 3.027,34 17.334,35 0.685,36 3.055,37 40.927,38 3.995,39 3.995,40 1.565,41 2,42 8.42,43 7.125,44 7.6,45 5.462,46 1,47 1.464,48 8.057,49 1.031,50 1.365,51 12.85,52 8.383,53 70.273,54 159.209,55 7.524,56 0.733,57 4.341,58 4.444,59 3.926,60 3.971,61 5.461,62 3.94,63 4.843,64 4.982,65 4.287,66 4.364,67 5.963,68 4.315,69 5.111,70 5.5}
{0 CHEMBL2001668,3 8.668,4 3.852,5 10.187,6 1.137,7 27.818,9 1.166,10 3.816,11 4.057,12 2,13 -0.198,14 57.669,15 1,16 1,17 2292,18 1,19 1.479,20 4.324,21 24.5,22 1,23 4.009,24 36.695,26 2.687,27 2.466,28 4.905,29 1.479,30 1.439,32 65.069,33 2.023,34 8.602,36 2.083,37 20.139,38 0.379,39 0.379,40 0.804,42 6.883,43 5.943,44 6.279,45 3.848,47 1.396,48 6.649,49 0.954,50 1.773,51 6.529,52 2.028,53 4.112,54 72.116,55 13.485,56 0.579,57 3.372,58 3.471,59 3.458,60 3.081,61 4.579,62 3.027,63 3.831,64 3.953,65 3.938,66 3.496,67 5.078,68 3.402,69 4.017,70 5.2}
{0 CHEMBL2001751,1 1,2 3.287,3 16.112,4 4.083,5 18.632,6 1.816,7 31.135,8 1,9 1.819,10 4.062,11 4.135,12 5,13 1.44,14 315.647,15 4,16 4,17 23666,18 1,19 1.899,20 5.807,21 51.5,22 5,23 4.053,24 84.479,25 2.285,26 3.347,27 3.442,28 11.988,29 1.9,30 2.747,31 7,32 109.862,33 2.876,34 16.017,35 0.584,36 2.922,37 30.721,38 4.958,39 4.958,40 1.572,41 2,42 7.838,43 6.753,44 7.209,45 5.187,47 1.477,48 7.622,49 1.035,50 1.512,51 14.833,52 3.876,53 15.02,54 137.858,55 7.943,56 0.659,57 4.219,58 4.324,59 3.848,60 3.811,61 5.373,62 3.805,63 4.717,64 4.846,65 4.214,66 4.217,67 5.84,68 4.193,69 4.955,70 7.4}
{0 CHEMBL2001920,3 14.277,4 3.693,5 15.473,6 1.205,9 1.165,10 3.686,11 4.027,12 1,13 0.538,14 61.723,15 2,16 2,17 2434,19 1.46,20 4.524,21 23.5,22 1,23 3.982,24 81.976,26 2.896,27 2.628,28 4.111,29 1.492,30 1.569,31 4,32 68.663,33 1.81,34 10.379,36 2.423,37 14.408,38 -0.355,39 -0.355,40 0.373,42 6.519,43 5.846,44 6.185,45 3.881,47 1.424,48 6.462,49 0.995,50 2.103,51 6.333,52 2.505,53 6.274,54 78.272,55 14.836,56 0.3,57 3.322,58 3.372,59 3.51,60 3.123,61 4.605,62 3.068,63 3.783,64 3.827,65 4.082,66 3.564,67 5.179,68 3.476,69 3.94,70 5.6}
{0 CHEMBL2001923,1 1,3 44.122,4 4.042,5 66.777,6 2.005,7 58.796,9 2.005,10 4.009,11 4.177,12 2,13 0.067,14 211.888,15 2,16 2,17 59334,18 2,19 2.027,20 5.845,21 69,22 6,23 4.088,24 57.83,25 1.599,26 3.565,27 3.686,28 20.006,29 2.031,30 2.945,31 5,32 153.891,33 3.204,34 20.766,35 0.868,36 3.291,37 50.952,38 6.656,39 6.656,40 1.649,41 1,42 8.583,43 7.153,44 7.623,45 5.674,47 1.443,48 8.124,49 1.11,50 1.635,51 20.46,52 7.14,53 50.982,54 185.299,55 8.241,56 0.596,57 4.536,58 4.64,59 4.192,60 4.105,61 5.697,62 4.109,63 5.079,64 5.222,65 4.581,66 4.515,67 6.236,68 4.51,69 5.368,70 5.2}
{0 CHEMBL2001957,3 17.082,4 3.901,5 21.72,6 1.849,7 36.202,9 1.861,10 3.855,11 4.157,12 1,13 0.276,14 146.081,15 2,16 2,17 15857,18 1,19 1.974,20 5.197,21 45,22 1,23 4.007,24 86.439,25 0.042,26 3.233,27 3.488,28 8.934,29 1.967,30 2.83,31 2,32 106.811,33 2.735,34 13.532,35 0.469,36 2.894,37 26.106,38 4.039,39 4.039,40 1.414,41 1,42 8.391,43 6.908,44 7.443,45 5.114,46 1,47 1.399,48 7.977,49 0.642,50 1.839,51 11.629,52 4.828,53 23.313,54 120.939,55 8.605,56 0.579,57 4.175,58 4.287,59 3.837,60 3.632,61 5.416,62 3.67,63 4.722,64 4.884,65 4.29,66 4.009,67 6.309,68 4.044,69 4.938,70 5.2}
{0 CHEMBL2001998,2 3.185,3 29.185,4 3.946,5 35.496,6 1.786,7 7.033,8 1,9 1.783,10 3.876,11 4.128,13 0.206,14 128.276,15 2,16 2,17 20371,18 1,19 1.958,20 5.394,21 44,22 4,23 4.044,24 105.43,26 3.259,27 3.398,28 12.432,29 1.962,30 2.471,31 2,32 104.886,33 2.941,34 14.547,35 0.687,36 2.973,37 37.182,38 3.608,39 3.608,40 1.513,41 1,42 7.896,43 6.578,44 7.082,45 5.331,47 1.43,48 7.486,49 1.043,50 1.568,51 16.559,52 2.73,53 7.451,54 129.654,55 7.501,56 0.447,57 4.222,58 4.349,59 3.803,60 3.735,61 5.32,62 3.727,63 4.783,64 4.971,65 4.153,66 4.146,67 5.801,68 4.115,69 5.016,70 6.4}
{0 CHEMBL2002165,3 21.644,4 3.975,5 26.24,6 1.889,7 45.852,9 1.897,10 3.932,11 4.142,12 6,13 2.272,14 159.015,15 5,16 5,17 21836,18 1,19 1.937,20 5.599,21 50.25,22 5,23 4.137,24 104.144,25 1.844,26 3.379,27 3.465,28 12.258,29 1.935,30 2.773,31 6,32 113.397,33 2.869,34 16.155,35 0.466,36 2.993,37 36.564,38 4.755,39 4.755,40 1.397,41 1,42 8.281,43 6.893,44 7.382,45 5.149,47 1.433,48 7.896,49 1.012,50 1.751,51 15.278,52 3.757,53 14.114,54 140.416,55 8.519,56 0.675,57 4.201,58 4.315,59 3.905,60 3.787,61 5.415,62 3.769,63 4.681,64 4.822,65 4.284,66 4.184,67 5.911,68 4.146,69 4.927,70 6.2}
{0 CHEMBL2002240,3 11.616,4 3.928,5 15.684,6 1.577,7 2.328,9 1.556,10 3.892,11 4.106,12 5,13 0.989,15 3,16 3,17 5033,19 1.709,20 4.973,21 35.75,22 4,23 4.064,24 98.753,25 2.139,26 2.943,27 3.116,28 5.691,29 1.717,30 2.244,31 4,32 68.514,33 2.532,34 10.058,35 0.026,36 2.621,37 15.465,38 1.787,39 1.787,40 1.131,42 7.841,43 6.512,44 6.982,45 4.591,46 1,47 1.462,48 7.454,49 1.04,50 1.524,51 8.565,52 2.327,53 5.413,54 88.949,55 8.172,56 0.68,57 3.712,58 3.827,59 3.352,60 3.336,61 4.987,62 3.324,63 4.154,64 4.296,65 3.702,66 3.7,67 5.381,68 3.669,69 4.405,70 5.2}
{0 CHEMBL2002322,3 11.734,4 3.919,5 12.129,6 1.414,7 2.104,9 1.532,10 3.903,11 4.115,12 1,13 0.403,14 100.196,15 2,16 2,17 6375,19 1.68,20 4.337,21 32,22 5,23 4.116,24 49.683,25 0.716,26 3.076,27 2.997,28 6.932,29 1.696,30 2.214,32 81.735,33 2.317,34 9.814,36 2.485,37 8.057,38 3.4,39 3.4,40 0.933,41 2,42 7.823,43 6.642,44 7.102,45 4.52,47 1.445,48 7.512,49 0.931,50 1.984,51 8.231,52 4.238,53 17.959,54 84.727,55 11.48,56 0.571,57 3.702,58 3.774,59 3.621,60 3.307,61 5.112,62 3.34,63 4.255,64 4.344,65 4.202,66 3.711,67 6.452,68 3.745,69 4.337,70 5.2}
{0 CHEMBL2002323,3 7.215,4 3.919,5 4.633,6 1.444,7 26.731,9 1.415,10 3.883,11 4.122,12 1,13 0.429,14 62.138,15 2,16 2,17 2645,18 1,19 1.566,20 4.625,21 26.25,22 3,23 3.991,24 67.51,25 0.643,26 2.555,27 2.577,28 4.501,29 1.612,30 1.615,32 54.488,33 2.266,34 7.584,36 2.322,37 11.966,38 0.266,39 0.266,40 0.911,42 7.384,43 6.246,44 6.728,45 4.259,47 1.455,48 7.182,49 1.092,50 1.611,51 6.556,52 2.614,53 6.835,54 69.309,55 8.354,56 0.8,57 3.509,58 3.636,59 3.174,60 3.062,61 4.761,62 3.07,63 3.967,64 4.126,65 3.553,66 3.441,67 5.197,68 3.436,69 4.149,70 5.2}
{0 CHEMBL2002373,3 5.822,4 3.866,5 4.205,6 1.525,7 2.757,9 1.543,10 3.83,11 4.071,12 1,13 -0.338,15 1,16 1,17 3974,18 1,19 1.863,20 4.669,21 29.5,22 2,23 3.963,24 35.47,26 2.687,27 2.5,28 6.68,29 1.857,30 1.5,31 1,32 64.625,33 2.528,34 8.517,35 0.218,36 2.627,37 18.094,38 2.136,39 2.136,40 1.181,41 1,42 7.129,43 6.045,44 6.483,45 4.663,47 1.405,48 6.85,49 0.865,50 1.466,51 7.571,52 2.052,53 4.212,54 82.688,55 7.352,56 0.739,57 3.732,58 3.851,59 3.294,60 3.299,61 4.856,62 3.274,63 4.22,64 4.391,65 3.578,66 3.662,67 5.26,68 3.61,69 4.43,70 5.2}
{0 CHEMBL2002407,2 2.567,3 13.177,4 3.901,5 11.431,6 1.53,7 5.085,8 1,9 1.515,10 3.872,11 4.012,12 3,13 1.968,15 4,16 4,17 3757,18 1,19 1.642,20 4.789,21 32,22 2,23 3.914,24 128.342,26 2.88,27 2.884,28 4.799,29 1.691,30 1.839,31 4,32 64.197,33 2.467,34 8.519,36 2.565,37 13.605,38 0.671,39 0.671,40 0.997,41 1,42 6.872,43 5.926,44 6.218,45 4.432,47 1.39,48 6.566,49 1.105,50 1.72,51 8.095,52 1.778,53 3.162,54 78.965,55 8.791,56 0.5,57 3.59,58 3.697,59 3.265,60 3.11,61 5.018,62 3.142,63 3.982,64 4.112,65 3.569,66 3.438,67 5.277,68 3.456,69 4.151,70 5.2}
{0 CHEMBL2002446,2 3.315,3 26.301,4 3.958,5 34.315,6 1.723,7 49.947,8 1,9 1.717,10 3.911,11 4.137,12 1,13 -0.412,14 117.909,15 1,16 1,17 19707,18 1,19 1.775,20 5.299,21 37.5,22 5,23 4.077,24 39.575,26 3.361,27 3.403,28 13.54,29 1.776,30 2.495,31 2,32 105.112,33 2.941,34 15.367,35 0.765,36 2.921,37 37.869,38 5.046,39 5.046,40 1.513,41 2,42 8.029,43 6.636,44 7.135,45 5.23,47 1.432,48 7.589,49 0.82,50 1.476,51 15.606,52 5.374,53 28.882,54 138.702,55 7.281,56 0.421,57 4.246,58 4.367,59 3.855,60 3.847,61 5.189,62 3.791,63 4.822,64 5.012,65 4.173,66 4.25,67 5.685,68 4.165,69 4.989,70 5.4}
{0 CHEMBL2002479,3 25.806,4 4.049,5 36.034,6 1.823,7 4.836,9 1.81,10 4.034,11 4.104,12 7,13 1.57,14 275.422,15 4,16 4,17 15750,18 1,19 1.901,20 5.388,21 43.75,22 4,23 4.015,24 85.704,25 1.35,26 3.297,27 3.241,28 9.794,29 1.901,30 2.503,31 5,32 100.712,33 2.775,34 14.58,35 0.364,36 2.924,37 25.622,38 4.264,39 4.264,40 1.361,41 1,42 7.823,43 6.716,44 7.17,45 4.978,47 1.439,48 7.586,49 1.039,50 1.671,51 13.656,52 3.809,53 14.507,54 121.934,55 8.471,56 0.611,57 4.101,58 4.205,59 3.775,60 3.671,61 5.249,62 3.67,63 4.614,64 4.749,65 4.168,66 4.074,67 5.776,68 4.051,69 4.84,70 6.4}
{0 CHEMBL2002649,2 2.853,3 11.833,4 3.908,5 15.343,6 1.537,7 11.771,8 1,9 1.533,10 3.85,11 4.041,12 1,13 0.429,14 64.754,15 2,16 2,17 2694,18 1,19 1.651,20 4.694,21 26.25,22 1,23 3.951,24 51.582,26 2.571,27 2.3,28 4.569,29 1.683,30 1.12,31 3,32 55.706,33 2.163,34 7.774,35 0.055,36 2.208,37 12.538,38 0.854,39 0.854,40 1.007,42 6.741,43 5.891,44 6.28,45 4.278,47 1.434,48 6.623,49 1.2,50 1.654,51 7.056,52 1.03,53 1.062,54 66.997,55 8.32,56 0.55,57 3.515,58 3.621,59 3.176,60 3.045,61 4.732,62 3.066,63 3.985,64 4.123,65 3.516,66 3.415,67 5.202,68 3.421,69 4.077,70 6.2}
{0 CHEMBL2002660,3 30.088,4 4.074,5 38.633,6 1.85,7 4.276,9 1.861,10 4.04,11 4.106,12 7,13 0.135,15 2,16 2,17 20041,18 1,19 1.946,20 5.461,21 47.5,22 3,23 4.045,24 57.585,25 1.991,26 3.366,27 3.333,28 12.328,29 1.92,30 2.573,31 3,32 110.792,33 3.056,34 16.6,35 0.633,36 3.182,37 41.217,38 4.048,39 4.048,40 1.573,42 7.683,43 6.62,44 6.989,45 5.407,47 1.458,48 7.335,49 0.893,50 1.505,51 13.595,52 4.894,53 23.954,54 144.268,55 7.138,56 0.55,57 4.326,58 4.454,59 3.854,60 3.845,61 5.428,62 3.819,63 4.856,64 5.041,65 4.217,66 4.231,67 5.917,68 4.189,69 5.083,70 5.3}
{0 CHEMBL2002682,1 1,2 3.459,3 24.271,4 4.091,5 22.891,6 1.886,7 4.901,8 1,9 1.885,10 4.073,11 4.181,12 4,13 1.326,14 192.052,15 4,16 4,17 33080,18 1,19 1.932,20 5.985,21 52.75,22 7,23 4.113,24 67.693,25 4.123,26 3.445,27 3.232,28 18.721,29 1.93,30 2.481,31 3,32 134.355,33 3.229,34 18.244,35 0.89,36 3.34,37 55.542,38 4.031,39 4.031,40 1.662,41 2,42 8.139,43 6.978,44 7.41,45 5.591,47 1.394,48 7.853,49 1.046,50 1.504,51 16.023,52 6.454,53 41.655,54 172.4,55 7.41,56 0.574,57 4.474,58 4.589,59 4.032,60 4.033,61 5.535,62 4.001,63 5.017,64 5.177,65 4.365,66 4.419,67 6.028,68 4.361,69 5.257,70 5.2}
{0 CHEMBL2002702,1 1,2 3.266,3 12.37,4 3.951,5 15.104,6 1.559,7 5.513,8 1,9 1.579,10 3.912,11 4.064,12 4,13 0.32,14 64.336,15 2,16 2,17 2666,18 1,19 1.795,20 4.703,21 24.75,22 2,23 3.978,24 34.796,26 2.645,27 2.695,28 5.255,29 1.771,30 1.746,31 7,32 53.281,33 2.386,34 8.135,35 0.179,36 2.366,37 13.652,38 -0.164,39 -0.164,40 1.078,41 2,42 6.811,43 5.825,44 6.246,45 4.345,47 1.506,48 6.635,49 1.038,50 1.44,51 7.111,52 2.748,53 7.551,54 72.469,55 7.447,56 0.55,57 3.568,58 3.688,59 3.144,60 3.178,61 4.683,62 3.149,63 4.061,64 4.221,65 3.525,66 3.566,67 5.155,68 3.52,69 4.226,70 5.7}
{0 CHEMBL2002726,2 3.015,3 11.017,4 3.967,5 9.41,6 1.761,7 2.757,8 1,9 1.772,10 3.932,11 4.123,12 3,13 0.872,14 112.937,15 3,16 3,17 10189,18 1,19 1.866,20 5.232,21 37.25,22 4,23 4.034,24 83.009,25 2.076,26 2.932,27 2.968,28 8.953,29 1.87,30 2.167,31 3,32 81.725,33 2.735,34 11.767,35 0.249,36 2.687,37 23.926,38 3.019,39 3.019,40 1.231,41 1,42 7.491,43 6.345,44 6.814,45 4.916,47 1.445,48 7.251,49 1.002,50 1.447,51 11.889,52 3.212,53 10.318,54 107.094,55 7.316,56 0.733,57 3.988,58 4.113,59 3.548,60 3.566,61 5.096,62 3.538,63 4.486,64 4.649,65 3.875,66 3.946,67 5.513,68 3.897,69 4.722,70 5.7}
{0 CHEMBL2002992,1 1,2 3.055,3 12.427,4 3.972,5 15.179,6 1.688,7 11.771,8 1,9 1.692,10 3.92,11 4.104,12 1,13 1.874,14 85.554,15 4,16 4,17 4466,18 1,19 1.763,20 4.804,21 23.5,22 1,23 3.98,24 84.479,25 1.753,26 2.866,27 2.5,28 8.146,29 1.756,30 1.5,31 7,32 63.07,33 2.411,34 9.178,35 0.3,36 2.484,37 27.049,38 2.232,39 2.232,40 1.225,42 6.04,43 5.756,44 6.06,45 5.036,46 1,47 1.469,48 6.365,49 0.995,50 1.47,51 8.857,52 1.461,53 2.133,54 81.7,55 6.661,56 0.435,57 3.845,58 3.993,59 3.311,60 3.355,61 4.859,62 3.316,63 4.416,64 4.61,65 3.673,66 3.795,67 5.356,68 3.716,69 4.758,70 5.3}
{0 CHEMBL2003271,3 14.113,4 3.924,5 16.802,6 1.434,7 2.104,9 1.477,10 3.907,11 4.103,12 4,13 1.08,14 96.7,15 3,16 3,17 5529,19 1.7,20 4.741,21 32.5,22 2,23 4.125,24 50.908,25 1.19,26 3.272,27 2.873,28 5.414,29 1.715,30 1.958,31 2,32 83.74,33 2.469,34 12.52,36 2.857,37 13.068,38 2.275,39 2.275,40 0.84,41 2,42 7.269,43 6.474,44 6.769,45 4.333,46 1,47 1.392,48 7.111,49 1.275,50 1.975,51 8.833,52 4.763,53 22.689,54 97.47,55 12.112,56 0.615,57 3.638,58 3.701,59 3.642,60 3.394,61 4.941,62 3.351,63 4.081,64 4.144,65 4.114,66 3.812,67 5.482,68 3.741,69 4.327,70 5.2}
{0 CHEMBL2003286,3 10.216,4 3.716,5 8.592,6 1.411,7 3.07,9 1.405,10 3.711,11 3.954,12 1,13 0.526,15 2,16 2,17 2189,19 1.525,20 4.518,21 22.25,22 1,23 3.892,24 18.011,26 2.648,27 1.74,28 4.887,29 1.522,30 0.63,31 2,32 55.917,33 1.676,34 8.103,36 2.093,37 12.746,38 -0.883,39 -0.883,40 0.568,42 6.055,43 5.338,44 5.641,45 4.061,47 1.389,48 5.921,49 0.885,50 1.832,51 7.235,52 1.659,53 2.751,54 64.378,55 9.665,56 0.333,57 3.403,58 3.464,59 3.224,60 2.99,61 4.733,62 2.98,63 3.839,64 3.925,65 3.644,66 3.321,67 5.228,68 3.304,69 3.951,70 5.2}
{0 CHEMBL2003341,3 11.666,4 3.946,5 15.34,6 1.654,9 1.654,10 3.925,11 4.016,12 6,13 0.251,15 2,16 2,17 8206,19 1.845,20 4.773,21 35.5,22 4,23 3.954,24 34.796,26 3.139,27 2.921,28 9.262,29 1.845,30 2.042,31 2,32 83.921,33 2.735,34 11.948,35 0.218,36 2.687,37 27.855,38 2.498,39 2.498,40 1.181,42 6.768,43 5.95,44 6.277,45 4.829,47 1.394,48 6.465,49 0.972,50 1.668,51 11.077,52 3.808,53 14.497,54 102.699,55 9.221,56 0.643,57 3.836,58 3.928,59 3.573,60 3.485,61 5.047,62 3.457,63 4.306,64 4.427,65 3.945,66 3.866,67 5.519,68 3.813,69 4.587,70 5.2}
{0 CHEMBL2003420,3 20.734,4 3.923,5 24.622,6 1.805,7 8.552,9 1.816,10 3.878,11 3.916,12 4,13 1.698,15 4,16 4,17 13169,19 1.964,20 4.522,21 33,22 2,23 3.797,24 105.614,26 3.162,27 2.84,28 7.47,29 1.943,30 1.842,31 4,32 86.394,33 2.787,34 11.072,35 0.601,36 2.857,37 27.646,38 2.136,39 2.136,40 1.424,42 5.023,43 4.72,44 4.789,45 5.029,47 1.34,48 4.888,49 0.85,50 1.547,51 16.5,52 0.979,53 0.958,54 107.526,55 6.867,56 0.414,57 4.087,58 4.236,59 3.557,60 3.541,61 5.168,62 3.516,63 4.613,64 4.824,65 3.789,66 3.885,67 5.687,68 3.805,69 4.873,70 7.1}
{0 CHEMBL2003456,3 9.679,4 3.842,5 15.401,6 1.149,7 6.604,9 1.144,10 3.802,11 4.019,12 4,13 0.451,14 54.107,15 2,16 2,17 2077,19 1.552,20 4.324,21 25.25,22 2,23 3.935,24 52.807,26 2.647,27 2.5,28 3.329,29 1.625,30 1.5,31 1,32 48.807,33 1.748,34 7.068,36 1.944,37 8.748,38 -1.122,39 -1.122,40 0.81,42 6.671,43 5.725,44 6.174,45 3.966,47 1.469,48 6.519,49 1.079,50 1.592,51 6.938,52 1.6,53 2.559,54 59.726,55 8.45,56 0.667,57 3.37,58 3.482,59 3.05,60 2.962,61 4.58,62 2.971,63 3.822,64 3.951,65 3.408,66 3.339,67 5.088,68 3.321,69 4.01,70 5.4}
{0 CHEMBL2003482,2 2.899,3 15.894,4 3.939,5 16.748,6 1.575,8 1,9 1.584,10 3.913,11 4.038,12 2,13 0.393,15 2,16 2,17 3615,18 1,19 1.706,20 4.56,21 24,22 2,23 3.907,24 51.337,26 2.687,27 2.5,28 4.27,29 1.699,30 1.5,31 3,32 60.391,33 2.121,34 8.803,36 2.375,37 14.216,38 1.034,39 1.034,40 0.915,42 5.57,43 5.27,44 5.456,45 4.332,47 1.429,48 5.387,49 1.01,50 1.67,51 8.737,52 2.947,53 8.682,54 74.065,55 8.356,56 0.524,57 3.613,58 3.733,59 3.278,60 3.204,61 4.709,62 3.177,63 4.142,64 4.301,65 3.656,66 3.613,67 5.22,68 3.553,69 4.376,70 5.2}
{0 CHEMBL2003524,3 16.423,4 3.71,5 14.262,6 1.556,9 1.598,10 3.697,11 4.134,12 1,13 -0.244,14 60.658,15 1,16 1,17 3424,19 1.603,20 4.436,21 28,22 3,23 4.059,24 34.796,25 1.441,26 2.915,27 2.789,28 7.418,29 1.627,30 1.84,31 1,32 64.802,33 2.547,34 8.971,35 0.2,36 2.655,37 18.677,38 0.708,39 0.708,40 1.161,42 7.764,43 6.644,44 7.095,45 4.697,47 1.461,48 7.439,49 1.204,50 1.646,51 7,52 1.76,53 3.096,54 74.385,55 8.18,56 0.478,57 3.687,58 3.777,59 3.327,60 3.195,61 4.899,62 3.217,63 4.214,64 4.359,65 3.712,66 3.569,67 5.42,68 3.588,69 4.328,70 5.5}
{0 CHEMBL2003638,2 2.829,3 17.529,4 4.002,5 24.912,6 1.693,7 26.731,8 1,9 1.745,10 3.95,11 4.131,12 1,13 0.225,14 129.431,15 2,16 2,17 14743,18 2,19 1.978,20 5.377,21 45.75,22 4,23 4.021,24 86.317,25 1.412,26 3.169,27 3.305,28 6.807,29 1.975,30 2.63,31 3,32 95.198,33 2.735,34 13.124,35 0.244,36 2.804,37 20.578,38 3.499,39 3.499,40 1.211,42 7.945,43 6.622,44 7.117,45 4.836,47 1.467,48 7.579,49 1.011,50 1.647,51 13.065,52 4.439,53 19.7,54 116.372,55 8.593,56 0.771,57 4.012,58 4.127,59 3.704,60 3.597,61 5.248,62 3.604,63 4.48,64 4.617,65 4.061,66 3.978,67 5.716,68 3.972,69 4.703,70 6.7}
{0 CHEMBL2003657,3 7.701,4 4.118,5 5.439,6 1.691,7 43.403,9 1.72,10 4.099,11 4.238,13 0.289,14 111.285,15 2,16 2,17 11616,18 2,19 1.933,20 5.012,21 44.25,22 2,23 4.157,24 68.048,25 1.663,26 3.178,27 3.325,28 9.883,29 1.916,30 2.634,32 105.028,33 2.736,34 15.891,35 0.469,36 2.832,37 20.609,38 4.235,39 4.235,40 1.263,41 2,42 8.724,43 7.156,44 7.719,45 4.955,47 1.467,48 8.238,49 0.7,50 1.882,51 10.129,52 4.873,53 23.748,54 119.214,55 9.298,56 0.714,57 4.037,58 4.128,59 3.952,60 3.679,61 5.19,62 3.638,63 4.565,64 4.692,65 4.346,66 4.092,67 5.896,68 4.045,69 4.781,70 5.2}
{0 CHEMBL2003768,3 22.338,4 3.918,5 31.076,6 1.57,9 1.566,10 3.895,11 3.998,12 4,13 0.312,15 2,16 2,17 7143,19 1.829,20 4.928,21 34.5,22 1,23 3.889,24 50.357,26 2.867,27 2.888,28 7.219,29 1.85,30 2.004,32 77.555,33 2.637,34 10.379,35 0.218,36 2.687,37 19.588,38 2.136,39 2.136,40 1.181,42 7.104,43 5.958,44 6.336,45 4.726,47 1.38,48 6.709,49 1.104,50 1.647,51 10.8,52 1.312,53 1.721,54 93.289,55 8.08,56 0.444,57 3.862,58 3.952,59 3.481,60 3.351,61 5.121,62 3.373,63 4.293,64 4.441,65 3.752,66 3.621,67 5.494,68 3.642,69 4.391,70 5.2}
{0 CHEMBL2003817,3 16.178,4 3.894,5 22.484,6 1.484,7 6.604,9 1.537,10 3.835,11 4.085,12 2,13 0.42,15 2,16 2,17 6326,19 1.679,20 4.948,21 35,22 2,23 4.007,24 86.378,25 0.516,26 2.875,27 2.855,28 4.66,29 1.715,30 1.993,31 2,32 73.642,33 2.369,34 9.114,35 0.034,36 2.527,37 13.092,38 2.171,39 2.171,40 0.976,42 7.249,43 6.219,44 6.608,45 4.492,47 1.396,48 6.922,49 1.136,50 1.905,51 10.167,52 1.889,53 3.57,54 78.386,55 9.803,56 0.654,57 3.689,58 3.796,59 3.454,60 3.186,61 5.037,62 3.248,63 4.182,64 4.314,65 3.902,66 3.523,67 6.065,68 3.584,69 4.327,70 5.2}
{0 CHEMBL2004072,3 4.892,4 3.857,5 2.761,6 1.438,7 17.064,9 1.393,10 3.838,11 4.105,13 -0.738,14 72.301,17 3451,19 1.683,20 4.748,21 28,22 3,23 4.11,24 16.786,25 1.739,26 2.799,27 2.629,28 5.919,29 1.704,30 1.687,32 65.256,33 2.489,34 8.676,35 0.009,36 2.561,37 14.147,38 1.293,39 1.293,40 0.937,41 2,42 7.53,43 6.427,44 6.866,45 4.229,47 1.41,48 7.293,49 0.861,50 1.779,51 7.75,52 3.412,53 11.641,54 75.943,55 9.578,56 0.727,57 3.536,58 3.602,59 3.371,60 3.22,61 4.81,62 3.191,63 4.005,64 4.104,65 3.765,66 3.6,67 5.327,68 3.551,69 4.122,70 5.2}
{0 CHEMBL2004290,3 25.408,4 3.978,5 31.066,6 1.918,7 30.892,9 1.918,10 3.934,11 4.143,12 5,13 2.214,14 172.477,15 5,16 5,17 25478,18 1,19 1.951,20 5.374,21 52,22 5,23 4.137,24 104.144,25 1.886,26 3.413,27 3.577,28 13.858,29 1.951,30 2.903,31 7,32 118.541,33 2.941,34 18.082,35 0.576,36 3.065,37 42.282,38 5.307,39 5.307,40 1.47,41 1,42 8.298,43 6.914,44 7.416,45 5.289,47 1.437,48 7.907,49 0.924,50 1.658,51 16.711,52 3.74,53 13.988,54 151.3,55 8.01,56 0.643,57 4.3,58 4.415,59 3.954,60 3.864,61 5.466,62 3.838,63 4.793,64 4.946,65 4.34,66 4.262,67 5.949,68 4.221,69 5.025,70 5.2}
{0 CHEMBL2004311,3 26.744,4 3.981,5 40.338,6 1.63,7 4.276,9 1.659,10 3.95,11 4.075,12 10,13 0.823,14 127.275,15 3,16 3,17 11591,19 1.882,20 5.118,21 40,22 7,23 4.018,24 54.032,26 3.067,27 3.232,28 10.166,29 1.875,30 2.481,31 6,32 85.837,33 2.919,34 13.157,35 0.521,36 2.911,37 28.182,38 3.909,39 3.909,40 1.476,42 7.237,43 6.318,44 6.623,45 5.073,47 1.49,48 7.022,49 1.087,50 1.454,51 11.897,52 4.462,53 19.905,54 114.783,55 7.413,56 0.563,57 4.038,58 4.159,59 3.601,60 3.637,61 5.158,62 3.607,63 4.546,64 4.712,65 3.981,66 4.038,67 5.671,68 3.985,69 4.766,70 5.2}
{0 CHEMBL2004355,3 19.519,4 3.959,5 19.137,6 1.723,7 4.815,9 1.691,10 3.938,11 4.07,12 1,13 2.672,15 5,16 5,17 7547,19 1.76,20 4.897,21 36.75,22 2,23 4.056,24 130.044,26 3.042,27 3.112,28 6.517,29 1.738,30 2.023,31 3,32 86.723,33 2.69,34 12.855,35 0.165,36 2.723,37 20.872,38 2.275,39 2.275,40 1.176,42 6.076,43 5.96,44 6.131,45 4.776,47 1.413,48 5.815,49 1.076,50 1.866,51 11.192,52 0.732,53 0.535,54 96.924,55 8.731,56 0.444,57 3.869,58 3.97,59 3.699,60 3.403,61 5.123,62 3.389,63 4.355,64 4.489,65 3.935,66 3.729,67 5.869,68 3.71,69 4.57,70 5.2}
{0 CHEMBL2004365,3 20.652,4 3.87,5 22.349,6 1.597,7 26.259,9 1.588,10 3.867,11 4.043,12 4,13 1.697,14 121.768,15 4,16 4,17 9630,19 1.728,20 5.326,21 36,23 4.025,24 68.919,26 3.259,27 3.099,28 13.38,29 1.713,30 2.138,31 2,32 103.491,33 2.645,34 14.937,35 0.389,36 2.893,37 34.279,38 3.435,39 3.435,40 1.246,41 2,42 7.386,43 6.378,44 6.773,45 4.997,47 1.411,48 7.139,49 0.816,50 1.864,51 9.2,52 2.418,53 5.849,54 121.644,55 9.779,56 0.303,57 3.98,58 4.06,59 3.871,60 3.668,61 5.211,62 3.603,63 4.466,64 4.565,65 4.299,66 4.078,67 5.739,68 3.986,69 4.643,70 5.2}
{0 CHEMBL2004419,3 9.117,4 4.087,5 4.86,6 1.688,7 58.363,9 1.721,10 4.045,11 4.202,13 0.243,14 105.934,15 2,16 2,17 10745,18 2,19 1.907,20 5.012,21 40.75,22 2,23 4.104,24 69.654,25 1.678,26 3.202,27 3.173,28 9.784,29 1.9,30 2.446,32 94.966,33 2.735,34 13.317,35 0.469,36 2.781,37 22.274,38 4.403,39 4.403,40 1.279,41 2,42 8.673,43 7.124,44 7.686,45 4.971,47 1.447,48 8.203,49 0.645,50 1.688,51 10,52 5.969,53 35.634,54 115.367,55 8.643,56 0.735,57 4.026,58 4.14,59 3.76,60 3.631,61 5.202,62 3.608,63 4.545,64 4.702,65 4.192,66 4.036,67 5.716,68 4.008,69 4.76,70 5.2}
{0 CHEMBL2004438,3 19.34,4 3.978,5 26.901,6 1.593,7 4.276,9 1.631,10 3.947,11 4.09,12 3,13 1.632,15 4,16 4,17 14540,19 1.944,20 5.241,21 45.25,22 3,23 4.012,24 102.49,25 1.288,26 3.225,27 3.266,28 8.175,29 1.945,30 2.554,31 5,32 93.693,33 2.752,34 12.304,35 0.218,36 2.787,37 22.09,38 4.033,39 4.033,40 1.205,42 7.788,43 6.547,44 7.002,45 4.938,47 1.435,48 7.378,49 1.121,50 1.757,51 13.419,52 3.701,53 13.699,54 109.694,55 9.009,56 0.676,57 3.985,58 4.098,59 3.688,60 3.543,61 5.276,62 3.568,63 4.472,64 4.6,65 4.132,66 3.912,67 6.194,68 3.928,69 4.68,70 5.2}
{0 CHEMBL2004447,2 2.951,3 17.673,4 3.891,5 19.707,6 1.484,7 22.531,8 1,9 1.531,10 3.853,11 4.08,12 5,13 1.032,14 84.021,15 3,16 3,17 4224,18 1,19 1.782,20 4.44,21 28.75,22 2,23 3.976,24 97.283,26 2.884,27 2.861,28 8.339,29 1.806,30 1.857,31 3,32 68.282,33 2.618,34 10.148,35 0.186,36 2.499,37 24.216,38 2.618,39 2.618,40 1.239,41 1,42 7.091,43 6.181,44 6.515,45 4.953,47 1.48,48 6.844,49 0.741,50 1.648,51 6.522,52 3.742,53 14.006,54 85.929,55 7.809,56 0.44,57 3.797,58 3.92,59 3.393,60 3.338,61 5.026,62 3.331,63 4.309,64 4.473,65 3.811,66 3.76,67 5.449,68 3.739,69 4.581,70 5.2}
{0 CHEMBL2004544,3 21.63,4 3.965,5 30.367,6 1.602,7 23.542,9 1.596,10 3.957,11 4.161,12 2,13 1.012,14 100.322,15 3,16 3,17 7976,19 1.735,20 5.211,21 38,22 3,23 4.14,24 18.011,25 0.562,26 2.981,27 2.886,28 9.3,29 1.698,30 2.024,31 5,32 87.881,33 2.61,34 13.535,35 0.152,36 2.65,37 25.192,38 2.912,39 2.912,40 1.077,42 7.505,43 6.517,44 6.86,45 4.862,46 1,47 1.464,48 7.21,49 1.143,50 1.719,51 9.731,52 2.595,53 6.732,54 95.398,55 9.108,56 0.586,57 3.876,58 3.929,59 3.753,60 3.452,61 5.053,62 3.452,63 4.387,64 4.464,65 4.036,66 3.832,67 5.946,68 3.834,69 4.564,70 5.2}
{0 CHEMBL2004615,3 12.596,4 3.78,5 12.877,6 1.452,7 3.45,9 1.421,10 3.742,11 4.019,12 2,13 2.236,15 4,16 4,17 1965,18 1,19 1.561,20 4.495,21 23.5,22 1,23 3.863,24 101.019,26 2.611,27 2.375,28 4.264,29 1.567,30 1.277,31 2,32 57.014,33 1.811,34 7.613,36 2.069,37 15.931,38 -0.766,39 -0.766,40 0.901,42 6.326,43 5.663,44 5.968,45 4.268,46 1,47 1.408,48 6.173,49 1.022,50 1.847,51 6.412,52 0.906,53 0.821,54 68.331,55 8.905,56 0.611,57 3.463,58 3.596,59 3.226,60 3.002,61 4.745,62 2.976,63 3.88,64 4.036,65 3.549,66 3.313,67 5.177,68 3.275,69 3.983,70 5.2}
{0 CHEMBL2004692,3 12.198,4 3.876,5 8.953,6 1.596,7 20.542,9 1.597,10 3.862,11 4.056,12 4,13 1.091,15 3,16 3,17 8883,18 1,19 1.703,20 5.029,21 39.25,22 1,23 3.928,24 141.622,26 2.91,27 2.924,28 4.567,29 1.753,30 2.086,32 89.138,33 2.561,34 12.121,35 0.14,36 2.682,37 12.12,38 2.561,39 2.561,40 1.181,41 2,42 7.424,43 6.326,44 6.733,45 4.565,47 1.43,48 7.11,49 0.754,50 1.875,51 9.815,52 2.77,53 7.674,54 105.144,55 9.755,56 0.7,57 3.842,58 3.952,59 3.67,60 3.389,61 5.184,62 3.399,63 4.242,64 4.364,65 3.999,66 3.738,67 5.535,68 3.731,69 4.371,70 5.2}
{0 CHEMBL2004716,3 29.302,4 3.969,5 37.713,6 1.935,7 19.121,9 1.929,10 3.935,11 4.123,12 9,13 2.161,14 187.414,15 5,16 5,17 27413,19 1.969,20 5.556,21 50.5,22 5,23 4.129,24 106.839,25 1.811,26 3.424,27 3.465,28 16.688,29 1.963,30 2.77,31 6,32 121.552,33 3.123,34 17.113,35 0.691,36 3.155,37 50.563,38 4.947,39 4.947,40 1.584,41 1,42 7.995,43 6.734,44 7.18,45 5.5,47 1.404,48 7.677,49 1.161,50 1.564,51 17.385,52 4.543,53 20.642,54 162.121,55 7.435,56 0.524,57 4.363,58 4.495,59 3.95,60 3.931,61 5.469,62 3.882,63 4.87,64 5.055,65 4.289,66 4.307,67 5.954,68 4.228,69 5.105,70 6.3}
{0 CHEMBL2004771,3 17.232,4 4.048,5 27.874,6 1.629,7 4.836,9 1.658,10 4.029,11 4.098,12 4,13 0.213,14 210.376,15 2,16 2,17 9498,18 1,19 1.872,20 5.114,21 39.25,22 4,23 4.012,24 52.807,25 1.576,26 2.942,27 3.032,28 7.074,29 1.87,30 2.298,31 4,32 79.32,33 2.735,34 11.636,35 0.218,36 2.695,37 17.781,38 3.225,39 3.225,40 1.181,41 1,42 7.628,43 6.524,44 6.993,45 4.682,47 1.496,48 7.408,49 1.119,50 1.514,51 11.038,52 3.927,53 15.424,54 97.851,55 8.327,56 0.733,57 3.858,58 3.955,59 3.535,60 3.482,61 5.022,62 3.482,63 4.348,64 4.467,65 3.923,66 3.884,67 5.536,68 3.866,69 4.558,70 6.2}
{0 CHEMBL2004871,3 7.449,4 3.873,5 4.867,6 1.525,7 17.717,9 1.543,10 3.839,11 4.073,12 1,13 -0.31,15 1,16 1,17 4505,18 1,19 1.863,20 4.669,21 30.25,22 2,23 3.963,24 35.47,26 2.687,27 2.5,28 6.704,29 1.857,30 1.5,31 1,32 67.854,33 2.528,34 8.517,35 0.218,36 2.634,37 17.306,38 2.136,39 2.136,40 1.181,41 1,42 7.244,43 6.126,44 6.543,45 4.667,47 1.397,48 6.943,49 0.86,50 1.61,51 8.318,52 2.258,53 5.097,54 82.905,55 7.825,56 0.708,57 3.744,58 3.858,59 3.348,60 3.297,61 4.931,62 3.289,63 4.235,64 4.4,65 3.658,66 3.659,67 5.387,68 3.63,69 4.454,70 5.2}
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{0 CHEMBL2004892,2 2.85,3 8.035,4 3.982,5 5.975,6 1.642,7 4.472,8 1,9 1.693,10 3.989,11 4.129,12 6,13 1.968,14 85.762,15 4,16 4,17 4430,18 1,19 1.807,20 4.651,21 31,22 3,23 4.049,24 82.628,25 1.748,26 2.687,27 2.656,28 7.025,29 1.758,30 1.729,31 5,32 71.375,33 2.355,34 11.48,35 0.089,36 2.469,37 18.635,38 1.583,39 1.583,40 1.064,41 1,42 7.471,43 6.294,44 6.799,45 4.536,47 1.479,48 7.254,49 1.077,50 1.798,51 8.857,52 2.168,53 4.701,54 85.059,55 8.64,56 0.696,57 3.688,58 3.795,59 3.56,60 3.289,61 4.832,62 3.251,63 4.174,64 4.301,65 3.775,66 3.651,67 5.617,68 3.613,69 4.385,70 5.6}
{0 CHEMBL2004934,3 14.648,4 3.952,5 18.717,6 1.691,7 14.96,9 1.68,10 3.925,11 4.022,12 1,13 -0.37,15 1,16 1,17 8214,19 1.847,20 5.103,21 36,22 4,23 3.95,24 34.796,26 2.993,27 2.869,28 9.719,29 1.852,30 1.987,31 3,32 78.945,33 2.733,34 10.464,35 0.218,36 2.687,37 26.632,38 2.584,39 2.584,40 1.181,42 6.795,43 5.964,44 6.338,45 4.959,47 1.43,48 6.511,49 1.199,50 1.56,51 11.538,52 3.556,53 12.645,54 98.225,55 7.787,56 0.643,57 3.894,58 4.001,59 3.492,60 3.474,61 5.092,62 3.458,63 4.382,64 4.534,65 3.818,66 3.824,67 5.565,68 3.795,69 4.606,70 5.2}
{0 CHEMBL2005112,3 21.112,4 4.062,5 23.59,6 1.723,7 2.144,9 1.714,10 4.022,11 4.171,12 4,13 -0.341,14 212.9,15 1,16 1,17 13221,18 2,19 1.945,20 5.387,21 46.75,22 1,23 4.053,24 114.138,25 1.267,26 3.273,27 3.429,28 9.256,29 1.945,30 2.726,31 1,32 104.14,33 2.84,34 15.123,35 0.295,36 2.909,37 24.435,38 4.451,39 4.451,40 1.239,41 1,42 8.401,43 7.057,44 7.543,45 4.974,47 1.47,48 8.039,49 0.949,50 1.676,51 10.906,52 5.391,53 29.061,54 123.924,55 10.132,56 0.583,57 4.007,58 4.1,59 3.841,60 3.652,61 5.262,62 3.644,63 4.487,64 4.614,65 4.294,66 4.056,67 5.685,68 4.039,69 4.708,70 5.2}
{0 CHEMBL2005186,2 2.962,3 20.292,4 4.077,5 31.925,6 1.899,7 4.472,8 1,9 1.886,10 4.04,11 4.13,12 3,13 0.811,14 128.372,15 3,16 3,17 17613,18 2,19 1.958,20 5.522,21 48.75,22 3,23 4.028,24 102.919,25 3.714,26 3.283,27 3.374,28 9.229,29 1.957,30 2.761,31 7,32 103.354,33 2.903,34 15.171,35 0.469,36 2.945,37 26.548,38 4.21,39 4.21,40 1.448,41 1,42 8.304,43 6.86,44 7.375,45 5.033,47 1.445,48 7.878,49 0.909,50 1.552,51 13.118,52 4.724,53 22.319,54 128.495,55 7.803,56 0.711,57 4.174,58 4.294,59 3.786,60 3.731,61 5.322,62 3.724,63 4.672,64 4.829,65 4.144,66 4.101,67 5.804,68 4.08,69 4.903,70 5.2}
{0 CHEMBL2005214,2 2.882,3 14.048,4 3.86,5 15.315,6 1.367,7 7.571,8 1,9 1.403,10 3.825,11 4.06,12 7,13 1.152,14 69.679,15 3,16 3,17 3027,18 1,19 1.726,20 4.736,21 27,22 2,23 3.976,24 143.237,26 2.858,27 2.859,28 6.673,29 1.757,30 1.668,31 3,32 68.52,33 2.301,34 9.422,35 0.033,36 2.555,37 17.778,38 1.09,39 1.09,40 1.018,41 1,42 6.863,43 6.014,44 6.347,45 4.531,47 1.414,48 6.698,49 1.04,50 1.749,51 5.95,52 2.739,53 7.502,54 79.633,55 10.684,56 0.5,57 3.573,58 3.68,59 3.444,60 3.19,61 4.831,62 3.179,63 4.04,64 4.168,65 3.888,66 3.6,67 5.205,68 3.565,69 4.258,70 5.7}
{0 CHEMBL2005375,3 35.279,4 3.975,5 56.934,6 1.793,7 4.227,9 1.774,10 3.939,11 4.048,12 3,13 0.162,15 2,16 2,17 21526,18 1,19 1.978,20 5.452,21 42,22 1,23 3.905,24 75.841,26 3.316,27 3.41,28 15.056,29 1.975,30 2.485,31 4,32 113.039,33 2.959,34 15.873,35 0.825,36 3.033,37 51.914,38 4.075,39 4.075,40 1.578,42 7.316,43 6.277,44 6.631,45 5.619,47 1.436,48 6.968,49 0.946,50 1.505,51 13.568,52 5.403,53 29.189,54 143.775,55 6.756,56 0.293,57 4.402,58 4.538,59 3.889,60 3.887,61 5.386,62 3.858,63 5.01,64 5.212,65 4.271,66 4.319,67 5.937,68 4.258,69 5.321,70 5.2}
{0 CHEMBL2005475,2 3.089,3 5.939,4 3.946,5 5.692,6 1.607,7 4.115,8 1,9 1.613,10 3.887,11 4.13,12 1,13 0.255,15 2,16 2,17 7169,18 1,19 1.748,20 4.781,21 28.25,22 2,23 4.094,24 51.337,25 1.908,26 2.941,27 2.703,28 8.862,29 1.756,30 1.776,31 3,32 76.88,33 2.735,34 10.996,35 0.435,36 2.688,37 25.908,38 2.465,39 2.465,40 1.306,41 2,42 7.437,43 6.361,44 6.812,45 4.822,47 1.448,48 7.086,49 0.86,50 1.543,51 10.75,52 4.693,53 22.027,54 99.096,55 7.544,56 0.556,57 3.903,58 4.024,59 3.541,60 3.537,61 4.906,62 3.469,63 4.463,64 4.63,65 3.929,66 3.968,67 5.411,68 3.862,69 4.747,70 6.2}
{0 CHEMBL2005528,1 1,2 3.1,3 12.088,4 3.734,5 10.17,6 1.472,7 4.901,8 1,9 1.482,10 3.704,11 4.162,12 2,13 0.393,14 106.618,15 2,16 2,17 3001,18 1,19 1.76,20 4.718,21 23.5,22 3,23 4.076,24 34.796,25 1.797,26 2.848,27 2.481,28 5.357,29 1.747,30 1.474,31 4,32 58.142,33 2.188,34 8.235,35 0.109,36 2.211,37 14.497,38 1.161,39 1.161,40 1.021,41 2,42 7.22,43 6.326,44 6.744,45 4.391,47 1.478,48 7.148,49 1.073,50 1.609,51 7.737,52 1.902,53 3.617,54 70.084,55 7.827,56 0.476,57 3.623,58 3.728,59 3.227,60 3.151,61 4.759,62 3.155,63 4.164,64 4.314,65 3.608,66 3.548,67 5.353,68 3.532,69 4.372,70 5.2}
{0 CHEMBL2005548,3 26.945,4 3.981,5 38.992,6 1.87,7 8.907,9 1.876,10 3.96,11 4.127,12 4,13 0.252,14 145.78,15 2,16 2,17 16105,18 1,19 1.916,20 5.062,21 42,22 2,23 4.009,24 54.461,25 1.211,26 3.363,27 3.444,28 8.248,29 1.917,30 2.703,31 3,32 103.883,33 2.797,34 16.38,35 0.469,36 3.019,37 25.943,38 4.397,39 4.397,40 1.417,41 1,42 7.548,43 6.433,44 6.828,45 4.936,47 1.46,48 7.283,49 0.934,50 1.794,51 13.879,52 4.386,53 19.233,54 128.448,55 9.196,56 0.444,57 4.091,58 4.188,59 3.824,60 3.66,61 5.296,62 3.658,63 4.593,64 4.732,65 4.247,66 4.023,67 5.846,68 4.016,69 4.836,70 5.2}
{0 CHEMBL2005631,3 21.624,4 3.975,5 25.287,6 1.691,7 34.081,9 1.701,10 3.944,11 4.121,12 7,13 2.376,14 142.349,15 5,16 5,17 14948,19 1.936,20 5.325,21 45,22 5,23 4.124,24 103.715,25 1.47,26 3.339,27 3.382,28 10.911,29 1.939,30 2.69,31 5,32 100.883,33 2.883,34 14.106,35 0.3,36 2.952,37 30.328,38 4.028,39 4.028,40 1.324,41 1,42 7.871,43 6.704,44 7.119,45 5.005,47 1.435,48 7.578,49 1.138,50 1.776,51 13.313,52 3.445,53 11.867,54 124.504,55 8.645,56 0.629,57 4.065,58 4.179,59 3.78,60 3.665,61 5.306,62 3.643,63 4.533,64 4.678,65 4.161,66 4.052,67 5.8,68 4.009,69 4.75,70 6.1}
{0 CHEMBL2005792,3 14.925,4 3.901,5 19.518,6 1.848,7 36.202,9 1.859,10 3.854,11 4.156,12 1,13 0.257,14 124.384,15 2,16 2,17 11525,18 1,19 1.974,20 5.12,21 42.25,22 1,23 4.006,24 86.439,25 0.522,26 3.065,27 3.211,28 8.574,29 1.967,30 2.461,31 2,32 94.89,33 2.735,34 13.151,35 0.469,36 2.768,37 26.346,38 3.493,39 3.493,40 1.414,41 1,42 8.319,43 6.873,44 7.403,45 5.053,46 1,47 1.412,48 7.925,49 0.629,50 1.687,51 10.806,52 3.821,53 14.6,54 115.489,55 7.824,56 0.647,57 4.105,58 4.224,59 3.707,60 3.589,61 5.287,62 3.599,63 4.62,64 4.796,65 4.083,66 3.972,67 5.771,68 3.97,69 4.831,70 5.2}
{0 CHEMBL2005828,3 17.311,4 3.967,5 22.301,6 1.607,7 18.375,9 1.645,10 3.933,11 4.11,12 5,13 1.698,14 118.978,15 4,16 4,17 10133,19 1.898,20 4.897,21 41,22 4,23 3.998,24 102.49,25 1.118,26 2.967,27 3.232,28 7.317,29 1.93,30 2.455,31 5,32 82.083,33 2.735,34 11.97,35 0.218,36 2.687,37 21.991,38 2.687,39 2.687,40 1.181,42 7.563,43 6.456,44 6.881,45 4.815,47 1.457,48 7.329,49 1.149,50 1.606,51 12.444,52 2.904,53 8.435,54 103.173,55 8.169,56 0.733,57 3.913,58 4.029,59 3.555,60 3.462,61 5.137,62 3.472,63 4.368,64 4.51,65 3.914,66 3.838,67 5.607,68 3.824,69 4.559,70 5.2}
{0 CHEMBL2005886,2 3.331,3 32.179,4 3.96,5 47.172,6 1.872,7 13.915,8 1,9 1.872,10 3.934,11 4.144,12 6,13 1.546,14 131.029,15 4,16 4,17 17419,18 1,19 1.946,20 5.461,21 42,22 2,23 4.027,24 72.717,25 1.685,26 3.274,27 3.304,28 12.355,29 1.954,30 2.417,31 7,32 106.577,33 2.941,34 15.503,35 0.637,36 3.01,37 39.649,38 4.556,39 4.556,40 1.513,41 1,42 7.827,43 6.658,44 7.102,45 5.323,46 3,47 1.428,48 7.526,49 1.057,50 1.662,51 12.971,52 2.385,53 5.69,54 133.134,55 8,56 0.421,57 4.213,58 4.329,59 3.837,60 3.742,61 5.311,62 3.735,63 4.756,64 4.916,65 4.225,66 4.152,67 5.84,68 4.125,69 5.012,70 7}
{0 CHEMBL2005899,3 16.136,4 3.875,5 23.584,6 1.648,9 1.647,10 3.827,11 4.006,12 2,13 -0.284,15 1,16 1,17 4398,19 1.826,20 4.305,21 27,23 3.872,24 36.695,26 2.702,27 2.798,28 9.128,29 1.838,30 1.792,32 66.991,33 2.618,34 10.682,35 0.469,36 2.518,37 26.524,38 2.136,39 2.136,40 1.417,42 5.983,43 5.593,44 5.796,45 4.966,47 1.507,48 5.966,49 0.833,50 1.568,51 7.913,52 0.937,53 0.878,54 87.641,55 7.168,56 0.25,57 3.854,58 3.975,59 3.366,60 3.351,61 5.021,62 3.329,63 4.358,64 4.557,65 3.725,66 3.675,67 5.466,68 3.648,69 4.6,70 5.2}
{0 CHEMBL2005936,2 2.943,3 16.433,4 4.038,5 24.041,6 1.893,7 2.757,8 1,9 1.885,10 3.991,11 4.144,12 1,13 0.162,14 135.952,15 2,16 2,17 15113,18 2,19 1.965,20 5.364,21 46.5,22 4,23 4.038,24 86.317,25 1.622,26 3.276,27 3.255,28 8.726,29 1.95,30 2.529,31 3,32 100.725,33 2.882,34 14.181,35 0.484,36 2.909,37 27.91,38 3.344,39 3.344,40 1.382,41 1,42 8.273,43 6.805,44 7.351,45 5.098,47 1.466,48 7.871,49 0.909,50 1.486,51 12.152,52 5.502,53 30.268,54 130.225,55 7.659,56 0.73,57 4.149,58 4.276,59 3.752,60 3.734,61 5.282,62 3.712,63 4.645,64 4.809,65 4.094,66 4.119,67 5.716,68 4.075,69 4.879,70 6.1}
{0 CHEMBL2006010,3 18.345,4 3.949,5 25.308,6 1.49,7 6.604,9 1.513,10 3.909,11 4.077,12 3,13 0.403,15 2,16 2,17 7688,19 1.627,20 4.993,21 36,22 1,23 4.012,24 69.593,25 0.906,26 3.24,27 2.994,28 5.541,29 1.659,30 2.211,31 3,32 84.375,33 2.542,34 10.851,35 0.009,36 2.723,37 12.133,38 2.673,39 2.673,40 0.913,42 7.166,43 6.276,44 6.608,45 4.506,47 1.367,48 6.868,49 1.046,50 2.064,51 10.385,52 4.797,53 23.014,54 89.78,55 11.463,56 0.607,57 3.72,58 3.808,59 3.614,60 3.297,61 5.068,62 3.337,63 4.221,64 4.325,65 4.11,66 3.661,67 6.102,68 3.696,69 4.409,70 5.2}
{0 CHEMBL2006156,3 15.508,4 3.894,5 24.392,6 1.721,7 38.716,9 1.694,10 3.865,11 4.111,13 -0.349,15 1,16 1,17 11253,19 1.742,20 4.44,21 40,23 3.995,24 54.706,25 1.342,26 3.23,27 3.153,28 10.544,29 1.736,30 2.462,31 2,32 90.732,33 2.765,34 13.366,35 0.469,36 2.843,37 34.12,38 4,39 4,40 1.417,41 2,42 8.265,43 6.745,44 7.294,45 5.218,47 1.468,48 7.814,49 0.994,50 1.554,51 10.5,52 4.753,53 22.593,54 111.645,55 7.491,56 0.636,57 4.092,58 4.205,59 3.668,60 3.608,61 5.216,62 3.602,63 4.615,64 4.785,65 4.046,66 3.969,67 5.71,68 3.954,69 4.829,70 5.2}
{0 CHEMBL2006188,3 22.508,4 3.952,5 34,6 1.819,9 1.812,10 3.925,11 4.032,12 6,13 1.564,15 4,16 4,17 11366,19 1.904,20 5.418,21 39,22 4,23 3.96,24 85.704,26 3.098,27 2.82,28 12.163,29 1.897,30 1.922,31 7,32 91.115,33 2.884,34 12.282,35 0.524,36 2.974,37 34.792,38 2.81,39 2.81,40 1.435,42 7.001,43 6.066,44 6.456,45 5.253,46 2,47 1.41,48 6.682,49 1.123,50 1.468,51 11.633,52 2.393,53 5.725,54 121.018,55 6.975,56 0.563,57 4.128,58 4.261,59 3.626,60 3.659,61 5.233,62 3.626,63 4.634,64 4.818,65 3.92,66 4.021,67 5.672,68 3.96,69 4.878,70 5.3}
{0 CHEMBL2006237,2 3.228,3 21.255,4 3.952,5 31.619,6 1.793,7 4.472,8 1,9 1.775,10 3.882,11 4.132,13 1.663,14 122.605,15 4,16 4,17 12401,18 1,19 1.98,20 5.222,21 36,22 1,23 4.012,24 107.513,25 1.339,26 3.166,27 3.019,28 9.669,29 1.99,30 2.116,31 4,32 88.438,33 2.941,34 12.697,35 0.526,36 2.866,37 32.917,38 3.034,39 3.034,40 1.483,41 1,42 7.651,43 6.449,44 6.933,45 5.221,47 1.425,48 7.352,49 1.035,50 1.517,51 13.345,52 2.057,53 4.231,54 115.076,55 7.028,56 0.5,57 4.123,58 4.271,59 3.642,60 3.598,61 5.171,62 3.582,63 4.677,64 4.887,65 3.986,66 3.994,67 5.698,68 3.951,69 4.926,70 5.2}
{0 CHEMBL2006263,3 12.483,4 4.002,5 8.394,6 1.61,9 1.569,10 3.995,11 4.121,12 1,13 1.075,15 3,16 3,17 5489,19 1.771,20 4.529,21 34.5,23 4.083,24 82.873,25 1.37,26 2.819,27 3.056,28 7.588,29 1.752,30 2.261,31 4,32 75.786,33 2.735,34 12.075,35 0.205,36 2.687,37 22.805,38 2.275,39 2.275,40 1.161,42 7.384,43 6.35,44 6.662,45 4.682,47 1.453,48 7.037,49 1.175,50 1.747,51 9.957,52 2.073,53 4.297,54 89.947,55 8.421,56 0.68,57 3.777,58 3.881,59 3.619,60 3.387,61 4.912,62 3.345,63 4.272,64 4.414,65 3.911,66 3.741,67 5.669,68 3.696,69 4.48,70 5.2}
{0 CHEMBL2006276,3 26.994,4 3.915,5 48.592,6 1.546,9 1.547,10 3.876,11 4.045,12 2,13 0.966,15 3,16 3,17 6996,18 2,19 1.907,20 5.046,21 38.25,22 1,23 3.946,24 70.818,26 2.949,27 2.891,28 8.049,29 1.91,30 2.054,31 8,32 76.867,33 2.702,34 10.815,35 0.218,36 2.687,37 21.768,38 2.943,39 2.943,40 1.181,42 7.435,43 6.211,44 6.6,45 4.841,46 1,47 1.425,48 7.036,49 1.034,50 1.584,51 9.48,52 2.718,53 7.387,54 94.534,55 8.107,56 0.643,57 3.846,58 3.958,59 3.488,60 3.402,61 5.036,62 3.409,63 4.315,64 4.452,65 3.835,66 3.769,67 5.486,68 3.762,69 4.57,70 5.2}
{0 CHEMBL2006439,1 1,2 3.172,3 11.088,4 3.952,5 19.407,6 1.608,7 55.891,8 1,9 1.622,10 3.891,11 4.124,12 2,13 0.321,14 84.619,15 2,16 2,17 5897,18 1,19 1.88,20 4.821,21 30.25,22 2,23 4.014,24 85.153,25 1.88,26 2.983,27 2.917,28 6.291,29 1.899,30 2.108,31 4,32 73.065,33 2.597,34 10.536,35 0.274,36 2.743,37 22.069,38 2.557,39 2.557,40 1.161,42 7.441,43 6.336,44 6.784,45 4.72,47 1.4,48 7.243,49 0.855,50 1.549,51 9.217,52 4.262,53 18.165,54 93.388,55 7.996,56 0.615,57 3.831,58 3.961,59 3.471,60 3.403,61 4.864,62 3.377,63 4.386,64 4.564,65 3.861,66 3.82,67 5.409,68 3.76,69 4.667,70 6.8}
{0 CHEMBL2006481,2 2.908,3 8.136,4 3.951,5 8.198,6 1.586,7 7.593,8 1,9 1.629,10 3.905,11 4.119,12 1,13 -0.265,14 87.008,15 1,16 1,17 5547,18 1,19 1.629,20 4.669,21 28.25,22 2,23 4.013,24 56.047,25 1.964,26 2.866,27 2.619,28 5.318,29 1.66,30 1.645,31 2,32 68.327,33 2.395,34 9.615,35 0.246,36 2.522,37 16.67,38 2.136,39 2.136,40 1.184,41 2,42 7.39,43 6.257,44 6.699,45 4.525,47 1.487,48 7.145,49 0.908,50 1.616,51 9.364,52 2.497,53 6.237,54 82.672,55 7.799,56 0.6,57 3.778,58 3.893,59 3.399,60 3.306,61 4.892,62 3.305,63 4.319,64 4.485,65 3.75,66 3.714,67 5.36,68 3.692,69 4.552,70 5.2}
{0 CHEMBL2006493,3 16.524,4 3.822,5 20.068,6 1.291,9 1.292,10 3.792,11 4.043,13 -0.689,17 3258,19 1.462,20 4.487,21 23.75,22 2,23 3.951,26 2.781,27 2.606,28 4.706,29 1.524,30 1.611,32 60.477,33 2.001,34 7.683,36 2.262,37 10.919,40 0.722,42 6.818,43 5.916,44 6.281,45 4.239,47 1.472,48 6.512,49 0.975,50 1.708,51 7.15,52 2.757,53 7.603,54 65.454,55 9.732,56 0.273,57 3.531,58 3.593,59 3.29,60 3.1,61 4.819,62 3.143,63 4.126,64 4.228,65 3.817,66 3.502,67 5.972,68 3.551,69 4.352,70 5.2}
{0 CHEMBL2006567,3 11.616,4 3.744,5 15.684,6 1.394,7 25.87,9 1.298,10 3.724,11 3.998,12 3,13 1.251,15 3,16 3,17 2328,19 1.546,20 4.566,21 26.75,22 2,23 3.968,24 98.753,26 2.695,27 2.342,28 3.851,29 1.528,30 1.063,31 4,32 58.716,33 2.126,34 8.223,36 2.243,37 9.092,38 -0.212,39 -0.212,40 0.839,42 6.241,43 5.878,44 6.167,45 4.194,46 1,47 1.392,48 6.411,49 0.77,50 1.799,51 6.5,52 1.08,53 1.167,54 71.456,55 9.226,56 0.579,57 3.444,58 3.553,59 3.241,60 3.086,61 4.768,62 3.048,63 3.86,64 3.996,65 3.541,66 3.408,67 5.141,68 3.353,69 4.026,70 5.2}
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{0 CHEMBL2006785,3 13.727,4 3.948,5 14.03,6 1.476,7 2.104,9 1.454,10 3.925,11 4.099,12 1,13 -0.284,14 91.6,15 1,16 1,17 5056,19 1.657,20 4.658,21 33,22 3,23 4.124,24 49.07,25 1.399,26 3.158,27 2.915,28 5.903,29 1.659,30 1.904,31 2,32 77.816,33 2.675,34 11.398,35 0.065,36 2.799,37 18.558,38 2.275,39 2.275,40 0.958,41 2,42 7.269,43 6.474,44 6.769,45 4.322,47 1.391,48 7.111,49 1.032,50 1.811,51 8.783,52 5.462,53 29.831,54 94.863,55 10.947,56 0.64,57 3.613,58 3.68,59 3.553,60 3.393,61 4.886,62 3.336,63 4.07,64 4.161,65 3.998,66 3.8,67 5.309,68 3.716,69 4.293,70 5.2}
{0 CHEMBL2006836,3 21.746,4 4.068,5 23.266,6 1.723,7 2.144,9 1.714,10 4.029,11 4.172,12 3,13 0.206,14 237.383,15 2,16 2,17 15943,18 2,19 1.946,20 5.329,21 49.75,22 2,23 4.053,24 68.184,25 1.188,26 3.228,27 3.498,28 9.658,29 1.946,30 2.847,31 2,32 102.388,33 2.812,34 15.194,35 0.31,36 2.883,37 24.708,38 4.48,39 4.48,40 1.272,41 1,42 8.459,43 7.101,44 7.598,45 5.066,47 1.503,48 8.077,49 1.038,50 1.649,51 12.294,52 4.247,53 18.035,54 123.06,55 8.852,56 0.553,57 4.073,58 4.161,59 3.777,60 3.661,61 5.388,62 3.678,63 4.542,64 4.662,65 4.197,66 4.056,67 5.873,68 4.068,69 4.768,70 5.2}
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{0 CHEMBL2007002,2 2.89,3 12.596,4 3.929,5 15.484,6 1.655,7 2.144,8 1,9 1.709,10 3.898,11 4.137,12 8,13 0.908,14 107.846,15 3,16 3,17 8985,18 1,19 1.88,20 5.17,21 40,22 3,23 4.047,24 51.337,25 1.482,26 3.022,27 2.979,28 8,29 1.888,30 2.187,31 5,32 82.5,33 2.735,34 11.674,35 0.226,36 2.687,37 21.206,38 3.111,39 3.111,40 1.181,41 1,42 7.895,43 6.575,44 7.039,45 4.797,46 1,47 1.456,48 7.524,49 1.09,50 1.568,51 10.778,52 3.922,53 15.379,54 102.25,55 8.168,56 0.733,57 3.91,58 4.01,59 3.551,60 3.487,61 5.14,62 3.489,63 4.364,64 4.488,65 3.899,66 3.856,67 5.57,68 3.845,69 4.575,70 5.4}
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{0 CHEMBL2007064,1 1,2 3.266,3 14.447,4 3.968,5 15.203,6 1.646,7 5.513,8 1,9 1.65,10 3.935,11 4.081,12 6,13 0.989,14 92.952,15 3,16 3,17 5259,18 1,19 1.825,20 5.028,21 29.25,22 3,23 3.994,24 34.796,26 2.912,27 2.911,28 8.852,29 1.835,30 2.037,31 8,32 68.364,33 2.641,34 10.288,35 0.261,36 2.624,37 23.778,38 2.279,39 2.279,40 1.162,41 2,42 7.087,43 6.026,44 6.441,45 4.887,47 1.496,48 6.86,49 1.179,50 1.531,51 9.304,52 2.843,53 8.084,54 88.378,55 7.57,56 0.44,57 3.811,58 3.922,59 3.375,60 3.375,61 4.983,62 3.357,63 4.315,64 4.47,65 3.761,66 3.771,67 5.542,68 3.73,69 4.528,70 5.8}
{0 CHEMBL2007138,3 12.434,4 3.805,5 17.263,6 1.107,9 1.082,10 3.786,11 3.947,12 2,13 0.561,15 2,16 2,17 1535,19 1.536,20 4.096,21 20.75,23 3.848,24 36.022,26 2.687,27 1.65,28 2.562,29 1.603,30 0.438,31 2,32 48.236,33 1.273,34 6.786,36 1.659,37 5.619,38 -1.327,39 -1.327,40 0.381,42 5.457,43 4.728,44 4.979,45 3.597,47 1.429,48 5.309,49 0.962,50 1.874,51 6.4,52 1.064,53 1.133,54 58.101,55 10.12,56 0.375,57 3.237,58 3.328,59 3.04,60 2.835,61 4.542,62 2.849,63 3.674,64 3.773,65 3.429,66 3.179,67 5.072,68 3.175,69 3.889,70 4.8}
{0 CHEMBL2007151,1 1,3 27.304,4 3.975,5 30.322,6 1.894,7 5.085,9 1.908,10 3.92,11 4.178,12 3,13 0.093,14 146.108,15 2,16 2,17 20817,18 1,19 1.988,20 5.35,21 44.75,22 4,23 4.068,24 71.492,25 1.909,26 3.321,27 3.192,28 18.376,29 1.978,30 2.353,31 1,32 109.3,33 2.941,34 15.757,35 0.852,36 2.965,37 49.328,38 4.515,39 4.515,40 1.643,41 1,42 8.028,43 6.774,44 7.245,45 5.628,47 1.452,48 7.711,49 1.015,50 1.384,51 13.444,52 5.394,53 29.096,54 146.706,55 6.785,56 0.537,57 4.353,58 4.484,59 3.86,60 3.908,61 5.325,62 3.868,63 4.937,64 5.126,65 4.234,66 4.342,67 5.829,68 4.275,69 5.23,70 5.7}
{0 CHEMBL2007296,3 14.099,4 3.953,5 19.218,6 1.828,9 1.798,10 3.927,11 4.017,12 1,13 -0.419,15 1,16 1,17 9579,19 1.858,20 5.094,21 36.25,22 4,23 3.951,24 34.796,26 3.052,27 2.757,28 10.432,29 1.858,30 1.844,31 3,32 81.408,33 2.735,34 11.198,35 0.281,36 2.687,37 27.069,38 2.439,39 2.439,40 1.26,42 6.778,43 5.914,44 6.304,45 5.006,47 1.426,48 6.481,49 1.07,50 1.396,51 12.889,52 4.223,53 17.834,54 107.281,55 7.068,56 0.621,57 3.996,58 4.113,59 3.517,60 3.58,61 5.088,62 3.539,63 4.503,64 4.673,65 3.817,66 3.93,67 5.553,68 3.866,69 4.75,70 5.2}
{0 CHEMBL2007372,3 16.936,4 3.902,5 24.867,6 1.854,7 33.715,9 1.862,10 3.855,11 4.159,12 4,13 0.908,14 124.384,15 3,16 3,17 11525,18 1,19 1.975,20 5.158,21 42.25,22 1,23 4.01,24 104.45,25 0.633,26 3.101,27 3.211,28 8.76,29 1.967,30 2.461,31 2,32 94.332,33 2.735,34 13.151,35 0.469,36 2.768,37 27.419,38 3.493,39 3.493,40 1.414,41 1,42 8.319,43 6.873,44 7.403,45 5.086,46 1,47 1.419,48 7.925,49 0.626,50 1.64,51 10.806,52 3.646,53 13.294,54 119.22,55 7.664,56 0.647,57 4.117,58 4.249,59 3.701,60 3.605,61 5.281,62 3.607,63 4.631,64 4.82,65 4.079,66 3.994,67 5.759,68 3.982,69 4.864,70 5.2}
{0 CHEMBL2007592,3 15.889,4 3.931,5 20.315,6 1.415,7 5.634,9 1.441,10 3.902,11 4.113,12 2,13 -0.284,14 162.162,15 1,16 1,17 5682,18 1,19 1.838,20 4.777,21 31.5,22 3,23 4.058,24 53.236,26 2.923,27 2.795,28 5.304,29 1.871,30 1.876,31 2,32 74.28,33 2.616,34 11.094,35 0.218,36 2.663,37 16.466,38 2.62,39 2.62,40 1.181,41 1,42 7.867,43 6.57,44 7.048,45 4.502,47 1.483,48 7.498,49 1.292,50 1.675,51 8.391,52 4.037,53 16.3,54 88.206,55 8.714,56 0.593,57 3.768,58 3.871,59 3.538,60 3.424,61 4.849,62 3.388,63 4.315,64 4.455,65 3.99,66 3.87,67 5.401,68 3.806,69 4.542,70 5.2}
{0 CHEMBL2007603,3 17.805,4 3.949,5 25.064,6 1.492,7 21.564,9 1.531,10 3.909,11 4.075,12 2,13 0.391,15 2,16 2,17 7007,19 1.646,20 4.993,21 35.25,22 1,23 3.994,24 69.593,25 0.811,26 2.909,27 2.904,28 4.954,29 1.679,30 2.097,31 3,32 76.325,33 2.526,34 9.114,36 2.61,37 12.525,38 2.54,39 2.54,40 0.933,42 7.097,43 6.181,44 6.507,45 4.523,47 1.404,48 6.758,49 1.119,50 1.894,51 9.76,52 3.674,53 13.498,54 80.387,55 10.009,56 0.63,57 3.717,58 3.818,59 3.492,60 3.229,61 5.085,62 3.291,63 4.217,64 4.337,65 3.96,66 3.565,67 6.122,68 3.631,69 4.4,70 5.3}
{0 CHEMBL202721,3 34.191,4 3.972,5 49.594,6 1.951,7 2.328,9 1.939,10 3.945,11 4.084,13 0.149,15 2,16 2,17 27334,18 1,19 1.99,20 5.431,21 51,22 2,23 3.981,24 72.717,25 1.56,26 3.3,27 3.356,28 13.852,29 1.992,30 2.521,31 6,32 118.084,33 2.941,34 16.037,35 0.587,36 3.036,37 40.246,38 3.91,39 3.91,40 1.513,42 7.799,43 6.563,44 6.973,45 5.385,47 1.389,48 7.382,49 1.069,50 1.557,51 17.237,52 4.118,53 16.959,54 145.773,55 7.444,56 0.548,57 4.338,58 4.452,59 3.908,60 3.841,61 5.43,62 3.837,63 4.877,64 5.043,65 4.224,66 4.206,67 5.933,68 4.183,69 5.1,70 5.3}
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{0 CHEMBL207400,3 16.962,4 3.831,5 22.451,6 1.288,9 1.34,10 3.796,11 4.089,12 1,13 -0.104,14 57.96,15 1,16 1,17 3312,18 2,19 1.64,20 4.468,21 26.25,22 2,23 3.965,24 18.44,26 2.765,27 2.719,28 5.102,29 1.684,30 1.786,32 66.555,33 1.945,34 8.717,36 2.378,37 7.789,38 1.315,39 1.315,40 0.725,42 7.249,43 6.212,44 6.541,45 4.42,47 1.47,48 6.945,49 1.046,50 2.158,51 6.524,52 3.407,53 11.609,54 69.07,55 11.345,56 0.478,57 3.542,58 3.621,59 3.414,60 3.04,61 4.926,62 3.11,63 4.078,64 4.191,65 3.956,66 3.442,67 5.994,68 3.533,69 4.227,70 5.2}
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{0 CHEMBL211378,3 17.311,4 3.967,5 24.218,6 1.58,7 6.604,9 1.624,10 3.933,11 4.093,12 6,13 1.734,14 118.128,15 4,16 4,17 10041,19 1.897,20 5.083,21 41.25,22 3,23 3.964,24 122.086,25 0.896,26 2.966,27 3.165,28 6.094,29 1.928,30 2.381,31 5,32 82.537,33 2.707,34 11.982,35 0.218,36 2.741,37 19.873,38 2.689,39 2.689,40 1.181,42 7.561,43 6.463,44 6.868,45 4.75,47 1.45,48 7.339,49 1.106,50 1.654,51 11.852,52 2.683,53 7.199,54 101.729,55 8.382,56 0.733,57 3.901,58 4.018,59 3.563,60 3.433,61 5.156,62 3.45,63 4.346,64 4.49,65 3.92,66 3.801,67 5.607,68 3.798,69 4.536,70 5.2}
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{0 CHEMBL220241,3 34.392,4 3.991,5 40.97,6 1.932,7 9.287,9 1.927,10 3.965,11 4.138,12 3,13 0.796,14 195.479,15 3,16 3,17 37755,18 1,19 1.972,20 5.604,21 57,22 1,23 3.981,24 128.696,25 1.439,26 3.372,27 3.513,28 13.166,29 1.977,30 2.732,31 3,32 131.328,33 3.05,34 18.21,35 0.825,36 3.153,37 41.028,38 5.498,39 5.498,40 1.555,41 1,42 8.067,43 6.827,44 7.279,45 5.424,47 1.402,48 7.742,49 1.131,50 1.674,51 18.643,52 3.394,53 11.52,54 155.448,55 7.926,56 0.574,57 4.413,58 4.524,59 4.034,60 3.874,61 5.571,62 3.895,63 4.938,64 5.1,65 4.382,66 4.243,67 6.058,68 4.253,69 5.146,70 5.8}
{0 CHEMBL2205426,3 25.678,4 3.973,5 48.681,6 1.822,7 4.227,9 1.817,10 3.944,11 4.02,12 6,13 0.876,15 3,16 3,17 14340,18 1,19 1.91,20 4.798,21 44,22 2,23 3.938,24 101.938,26 3.006,27 3.219,28 8.283,29 1.92,30 2.505,31 2,32 92.506,33 2.735,34 14.36,35 0.469,36 2.687,37 22.193,38 4.264,39 4.264,40 1.417,42 7.589,43 6.337,44 6.775,45 4.905,47 1.442,48 7.174,49 0.836,50 1.583,51 13.387,52 3.042,53 9.255,54 120.1,55 7.821,56 0.529,57 4.079,58 4.195,59 3.678,60 3.617,61 5.29,62 3.614,63 4.527,64 4.697,65 4.025,66 3.943,67 5.716,68 3.93,69 4.75,70 5.316}
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{0 CHEMBL2309006,1 2,3 22.317,4 4.043,5 33.429,6 1.786,7 20.348,9 1.791,10 4.016,11 4.369,12 13,13 0.802,14 238.345,15 3,16 3,17 12383,18 2,19 2.024,20 5.482,21 42.75,22 6,23 4.288,24 21.809,25 7.694,26 3.208,27 3.523,28 17.22,29 2.024,30 2.849,31 3,32 99.877,33 2.902,34 15.933,35 0.568,36 2.958,37 41.505,38 5.578,39 5.578,40 1.427,41 4,42 9.884,43 7.937,44 8.655,45 5.532,47 1.568,48 9.327,49 0.932,50 1.547,51 7.727,52 3.097,53 9.588,54 120.91,55 8.139,56 0.6,57 4.166,58 4.257,59 3.825,60 3.754,61 5.256,62 3.76,63 4.761,64 4.88,65 4.355,66 4.261,67 5.837,68 4.266,69 5.105,70 7.31}
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{0 CHEMBL234085,1 1,2 3.094,3 16.291,4 3.952,5 21.804,6 1.692,7 14.099,8 1,9 1.696,10 3.895,11 4.1,12 1,13 -0.241,14 88.881,15 1,16 1,17 5072,18 1,19 1.73,20 5.019,21 29,22 1,23 3.952,24 87.665,25 1.783,26 3.067,27 2.703,28 9.981,29 1.742,30 1.708,31 2,32 70.171,33 2.558,34 9.789,35 0.593,36 2.703,37 31.822,38 2.222,39 2.222,40 1.421,42 6.31,43 5.842,44 6.175,45 5.183,47 1.426,48 6.484,49 1.027,50 1.567,51 8.696,52 1.372,53 1.883,54 87.831,55 7.266,56 0.4,57 3.858,58 3.998,59 3.408,60 3.334,61 4.964,62 3.324,63 4.432,64 4.643,65 3.762,66 3.746,67 5.408,68 3.709,69 4.697,70 6.2}
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{0 CHEMBL253969,3 30.806,4 3.934,5 38.283,6 1.779,7 39.011,9 1.751,10 3.878,11 3.97,12 2,13 1.694,15 4,16 4,17 15582,19 1.793,20 4.995,21 34.75,22 2,23 3.894,24 132.973,26 3.333,27 3.232,28 10.691,29 1.809,30 2.481,31 3,32 111.003,33 2.783,34 14.119,35 0.59,36 3.041,37 36.829,38 3.367,39 3.367,40 1.389,42 6.309,43 5.659,44 5.688,45 5.06,46 1,47 1.353,48 5.974,49 0.915,50 1.971,51 14.594,52 3.593,53 12.91,54 122.946,55 9.508,56 0.324,57 4.133,58 4.25,59 3.922,60 3.639,61 5.295,62 3.622,63 4.685,64 4.857,65 4.319,66 4.032,67 5.896,68 3.98,69 4.939,70 5.3}
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{0 CHEMBL260092,3 29.567,4 3.966,5 44.48,6 1.766,7 8.932,9 1.762,10 3.932,11 4.013,12 7,13 2.438,15 5,16 5,17 15734,19 1.924,20 5.269,21 45.25,22 2,23 3.912,24 137.286,26 3.243,27 3.313,28 8.089,29 1.955,30 2.558,31 5,32 97.454,33 2.735,34 12.754,35 0.246,36 2.78,37 24.625,38 4.101,39 4.101,40 1.204,42 7.213,43 6.236,44 6.566,45 5.02,46 1,47 1.404,48 6.865,49 1.123,50 1.81,51 13.531,52 3.338,53 11.142,54 115.957,55 8.829,56 0.514,57 4.051,58 4.176,59 3.734,60 3.546,61 5.314,62 3.582,63 4.56,64 4.712,65 4.173,66 3.918,67 6.239,68 3.938,69 4.795,70 6.5}
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{0 CHEMBL296468,3 26.932,4 3.93,5 36.798,6 1.607,7 5.449,9 1.637,10 3.886,11 3.964,13 0.352,15 2,16 2,17 8015,19 1.66,20 4.486,21 26.75,23 3.884,24 69.593,26 3.179,27 2.727,28 8.604,29 1.655,30 1.782,31 4,32 83.323,33 2.618,34 12.82,35 0.469,36 2.604,37 31.374,38 2.136,39 2.136,40 1.417,41 1,42 5.968,43 5.236,44 5.361,45 4.87,47 1.405,48 5.659,49 0.76,50 1.706,51 11.8,52 2.284,53 5.216,54 101.699,55 7.767,56 0.37,57 3.979,58 4.1,59 3.665,60 3.55,61 4.99,62 3.47,63 4.551,64 4.736,65 4.127,66 3.973,67 5.51,68 3.851,69 4.782,70 5.15}
{0 CHEMBL296586,1 1,2 3.447,3 12.06,4 3.887,5 15.404,6 1.451,7 4.901,8 1,9 1.466,10 3.859,11 4.171,12 1,13 0.311,14 41.359,15 2,16 2,17 3458,18 1,19 1.77,20 4.89,21 28.75,22 3,23 4.102,24 80.75,25 2.156,26 2.834,27 2.854,28 6.6,29 1.787,30 1.995,31 7,32 68.088,33 2.272,34 10.007,35 0.163,36 2.624,37 15.009,38 1.974,39 1.974,40 1.052,41 2,42 7.852,43 6.592,44 7.091,45 4.522,46 1,47 1.461,48 7.551,49 0.923,50 1.598,51 6.8,52 3.671,53 13.478,54 81.527,55 10.555,56 0.696,57 3.578,58 3.674,59 3.453,60 3.281,61 4.708,62 3.251,63 4.076,64 4.189,65 3.916,66 3.716,67 5.211,68 3.664,69 4.379,70 6.2}
{0 CHEMBL300138,1 2,3 25.266,4 4.137,5 30.58,6 1.933,7 27.83,9 1.926,10 4.102,11 4.212,12 4,13 -0.434,14 290.794,15 1,16 1,17 25302,18 2,19 1.999,20 5.518,21 52.75,22 4,23 4.13,24 41.719,25 4.061,26 3.33,27 3.395,28 16.985,29 1.995,30 2.702,31 2,32 118.309,33 3.03,34 17.53,35 0.794,36 3.04,37 43.258,38 5.314,39 5.314,40 1.513,41 2,42 8.471,43 7.14,44 7.666,45 5.525,47 1.506,48 8.146,49 1.024,50 1.463,51 13.769,52 4.534,53 20.558,54 151.757,55 7.583,56 0.578,57 4.333,58 4.449,59 3.937,60 3.93,61 5.403,62 3.909,63 4.891,64 5.057,65 4.336,66 4.371,67 5.922,68 4.332,69 5.159,70 5}
{0 CHEMBL302449,1 2,3 16.148,4 4.058,5 16.191,6 1.749,7 8.577,9 1.738,10 4.028,11 4.345,12 4,13 -0.405,14 259.964,15 1,16 1,17 9015,18 2,19 2.024,20 5.241,21 42,22 6,23 4.274,24 52.868,25 8.77,26 3.18,27 3.38,28 11.308,29 2.019,30 2.676,31 2,32 87.862,33 2.834,34 12.995,35 0.423,36 2.931,37 25.902,38 3.167,39 3.167,40 1.287,41 4,42 9.605,43 7.759,44 8.449,45 5.152,47 1.53,48 9.092,49 1.038,50 1.446,51 8,52 4.169,53 17.379,54 112.475,55 8.052,56 0.706,57 3.987,58 4.093,59 3.647,60 3.632,61 5.111,62 3.617,63 4.535,64 4.685,65 4.074,66 4.089,67 5.577,68 4.061,69 4.766,70 7.7}
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{0 CHEMBL326282,3 14.609,4 3.942,5 11.645,6 1.38,9 1.377,10 3.926,11 4.119,12 2,13 -0.317,15 1,16 1,17 6606,19 1.778,20 5.101,21 33.75,22 3,23 4.051,24 16.786,25 1.096,26 3.129,27 3.111,28 8.552,29 1.764,30 2.261,31 2,32 82.703,33 2.676,34 12.73,35 0.172,36 2.844,37 22.983,38 3.295,39 3.295,40 1.1,42 7.801,43 6.596,44 6.959,45 4.742,47 1.419,48 7.442,49 1.077,50 1.683,51 9.28,52 5.555,53 30.854,54 98.576,55 10.613,56 0.607,57 3.747,58 3.811,59 3.608,60 3.473,61 4.95,62 3.444,63 4.262,64 4.354,65 4.073,66 3.916,67 5.46,68 3.869,69 4.597,70 5.2}
{0 CHEMBL336961,1 1,2 3.384,3 12.06,4 3.874,5 15.404,6 1.447,7 4.901,8 1,9 1.462,10 3.837,11 4.167,12 1,13 0.361,14 41.359,15 2,16 2,17 3458,18 1,19 1.77,20 4.84,21 29.25,22 2,23 4.09,24 97.536,25 2.076,26 2.831,27 2.854,28 5.645,29 1.787,30 1.995,31 5,32 68.542,33 2.22,34 10.007,35 0.002,36 2.568,37 12.044,38 1.974,39 1.974,40 0.915,41 2,42 7.852,43 6.592,44 7.091,45 4.436,46 1,47 1.449,48 7.551,49 0.929,50 1.688,51 6.8,52 2.949,53 8.697,54 78.998,55 10.939,56 0.696,57 3.56,58 3.658,59 3.461,60 3.237,61 4.723,62 3.221,63 4.055,64 4.17,65 3.923,66 3.665,67 5.226,68 3.629,69 4.342,70 5.2}
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{0 CHEMBL362558,1 1,3 24.978,4 4.138,5 28.135,6 1.876,7 47.679,9 1.878,10 4.094,11 4.214,12 3,13 -0.348,14 244.348,15 1,16 1,17 22366,18 2,19 2.013,20 5.533,21 49,22 3,23 4.116,24 44.23,25 1.955,26 3.396,27 3.443,28 13.894,29 2.012,30 2.726,31 2,32 116.67,33 2.941,34 16.717,35 0.682,36 3.049,37 37.857,38 5.331,39 5.331,40 1.513,41 2,42 8.614,43 7.196,44 7.729,45 5.416,47 1.498,48 8.238,49 0.927,50 1.676,51 12.763,52 3.133,53 9.813,54 138.257,55 8.136,56 0.455,57 4.286,58 4.399,59 3.939,60 3.83,61 5.403,62 3.838,63 4.868,64 5.033,65 4.368,66 4.288,67 5.996,68 4.278,69 5.159,70 5.8}
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{0 CHEMBL491473,1 1,2 3.124,3 25.689,4 4.065,5 29.075,6 1.799,7 24.676,8 1,9 1.793,10 4.04,11 4.143,13 -0.352,14 134.209,15 1,16 1,17 17177,18 1,19 1.893,20 5.315,21 42,22 2,23 4.043,24 53.481,25 2.446,26 3.286,27 3.235,28 11.332,29 1.883,30 2.542,31 4,32 102.346,33 2.822,34 13.961,35 0.584,36 2.925,37 31.833,38 4.452,39 4.452,40 1.589,41 2,42 8.015,43 6.783,44 7.209,45 5.142,47 1.401,48 7.673,49 0.97,50 1.62,51 13.576,52 4.761,53 22.67,54 124.882,55 7.509,56 0.568,57 4.211,58 4.322,59 3.792,60 3.709,61 5.292,62 3.709,63 4.775,64 4.948,65 4.155,66 4.097,67 5.811,68 4.084,69 4.983,70 5.1}
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{0 CHEMBL50894,1 1,2 3.284,3 15.369,4 3.92,5 19.872,6 1.614,7 4.901,8 1,9 1.718,10 3.892,11 4.187,12 1,13 0.348,14 47.429,15 2,16 2,17 4464,18 1,19 1.773,20 4.923,21 33.5,22 3,23 4.099,24 40.466,25 1.51,26 2.829,27 2.932,28 6.529,29 1.792,30 2.074,31 7,32 67.079,33 2.491,34 10.089,35 0.168,36 2.614,37 15.611,38 2.755,39 2.755,40 1.088,41 2,42 8.089,43 6.738,44 7.257,45 4.611,46 1,47 1.509,48 7.73,49 1.074,50 1.664,51 7.636,52 2.817,53 7.937,54 81.229,55 8.888,56 0.64,57 3.66,58 3.756,59 3.375,60 3.26,61 4.924,62 3.272,63 4.148,64 4.253,65 3.777,66 3.689,67 5.532,68 3.686,69 4.443,70 6.2}
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{0 CHEMBL513846,3 14.069,4 3.945,5 20.133,6 1.455,7 26.299,9 1.473,10 3.915,11 4.143,12 1,13 0.321,14 89.249,15 2,16 2,17 6094,18 2,19 1.764,20 4.865,21 34.5,23 4.013,24 52.868,25 0.918,26 2.839,27 2.857,28 6.935,29 1.76,30 2.011,31 5,32 74.102,33 2.715,34 10.877,35 0.208,36 2.687,37 18.395,38 2.275,39 2.275,40 1.162,41 1,42 7.556,43 6.436,44 6.901,45 4.494,47 1.412,48 7.331,49 0.884,50 1.675,51 10.043,52 3.933,53 15.47,54 90.565,55 8.714,56 0.808,57 3.751,58 3.854,59 3.508,60 3.379,61 4.928,62 3.348,63 4.207,64 4.342,65 3.898,66 3.736,67 5.368,68 3.699,69 4.376,70 5.2}
{0 CHEMBL513909,3 41.796,4 3.976,5 69.22,6 1.793,7 4.227,9 1.774,10 3.938,11 4.048,12 3,13 0.175,15 2,16 2,17 23285,18 1,19 1.976,20 5.474,21 43.25,22 1,23 3.903,24 78.966,26 3.332,27 3.437,28 15.761,29 1.976,30 2.588,31 4,32 116.099,33 2.978,34 16.495,35 0.825,36 3.054,37 54.847,38 5.676,39 5.676,40 1.61,42 7.322,43 6.284,44 6.639,45 5.683,47 1.43,48 6.973,49 0.975,50 1.525,51 14.237,52 3.655,53 13.36,54 148.213,55 6.776,56 0.286,57 4.432,58 4.57,59 3.921,60 3.892,61 5.424,62 3.869,63 5.038,64 5.248,65 4.303,66 4.321,67 5.967,68 4.272,69 5.327,70 5}
{0 CHEMBL514499,3 26.813,4 3.978,5 29.695,6 1.681,7 3.503,9 1.702,10 3.955,11 4.141,12 1,13 0.282,14 139.8,15 2,16 2,17 14502,18 1,19 1.719,20 5.197,21 43,22 2,23 4.048,24 51.582,25 1.28,26 3.21,27 3.276,28 12.375,29 1.75,30 2.506,32 105.666,33 2.933,34 13.588,35 0.557,36 3.056,37 35.436,38 3.575,39 3.575,40 1.421,41 2,42 7.974,43 6.744,44 7.201,45 5.14,47 1.4,48 7.643,49 1.306,50 1.934,51 11.818,52 4.685,53 21.946,54 116.287,55 9.363,56 0.583,57 4.078,58 4.161,59 3.849,60 3.604,61 5.347,62 3.624,63 4.604,64 4.724,65 4.312,66 3.973,67 6.258,68 3.993,69 4.685,70 5.2}
{0 CHEMBL519697,3 21.854,4 3.952,5 26.047,6 1.783,7 2.144,9 1.807,10 3.928,11 4.132,13 -0.361,14 136.944,15 1,16 1,17 13677,18 1,19 2.001,20 5.102,21 41.25,22 2,23 4.002,24 70.879,25 1.566,26 3.178,27 3.167,28 10.519,29 1.992,30 2.447,31 1,32 93.41,33 2.885,34 13.37,35 0.637,36 2.866,37 31.996,38 3.45,39 3.45,40 1.473,41 1,42 7.396,43 6.473,44 6.921,45 5.169,47 1.468,48 7.204,49 0.994,50 1.526,51 13.516,52 4.209,53 17.719,54 117.512,55 7.42,56 0.471,57 4.113,58 4.236,59 3.679,60 3.668,61 5.233,62 3.645,63 4.666,64 4.849,65 4.048,66 4.08,67 5.708,68 4.031,69 4.952,70 5.2}
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{0 CHEMBL522892,2 3.155,3 24.416,4 3.995,5 38.408,6 1.715,7 17.104,8 1,9 1.735,10 3.966,11 4.142,12 6,13 1.663,14 103.645,15 4,16 4,17 11120,18 1,19 1.918,20 5.109,21 38.25,22 1,23 4.023,24 90.728,25 1.536,26 3.042,27 3.138,28 9.809,29 1.915,30 2.342,31 7,32 88.277,33 2.855,34 12.703,35 0.343,36 2.866,37 33.013,38 4.417,39 4.417,40 1.321,41 1,42 8.056,43 6.742,44 7.2,45 5.188,46 3,47 1.459,48 7.687,49 1.122,50 1.644,51 11.483,52 1.782,53 3.174,54 110.583,55 7.85,56 0.485,57 4.047,58 4.179,59 3.661,60 3.564,61 5.18,62 3.569,63 4.589,64 4.768,65 4.07,66 3.99,67 5.696,68 3.982,69 4.85,70 5.469}
{0 CHEMBL523823,3 17.229,4 3.735,5 26.084,6 1.361,7 2.328,9 1.45,10 3.733,11 4.062,12 2,13 0.497,14 52.217,15 2,16 2,17 2594,18 1,19 1.55,20 4.566,21 26,22 2,23 3.951,24 22.721,26 2.806,27 2.412,28 5.318,29 1.606,30 1.386,31 2,32 61.053,33 1.972,34 8.852,36 2.207,37 10.654,38 0.524,39 0.524,40 0.799,42 7.112,43 6.141,44 6.478,45 4.377,47 1.456,48 6.821,49 1.132,50 1.895,51 6.211,52 2.756,53 7.597,54 67.908,55 10.024,56 0.524,57 3.522,58 3.586,59 3.307,60 3.037,61 4.856,62 3.079,63 3.989,64 4.092,65 3.75,66 3.442,67 5.324,68 3.478,69 4.22,70 5.188}
{0 CHEMBL52387,3 24.833,4 3.936,5 38.665,6 1.812,7 4.227,9 1.814,10 3.901,11 4.109,12 6,13 0.974,14 107.706,15 3,16 3,17 7233,18 1,19 1.913,20 5.003,21 32.5,22 1,23 3.925,24 88.277,25 1.526,26 3.093,27 2.908,28 6.812,29 1.9,30 2.069,31 2,32 79.084,33 2.735,34 10.91,35 0.469,36 2.717,37 30.377,38 2.389,39 2.389,40 1.417,42 7.196,43 6.273,44 6.662,45 5.117,46 1,47 1.391,48 7.062,49 0.986,50 1.5,51 9.462,52 3.181,53 10.12,54 106.143,55 6.817,56 0.571,57 4.034,58 4.18,59 3.519,60 3.496,61 5.088,62 3.472,63 4.572,64 4.785,65 3.856,66 3.869,67 5.559,68 3.815,69 4.81,70 5.2}
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{0 CHEMBL526133,2 2.909,3 10.63,4 3.973,5 16.814,6 1.585,7 6.42,8 1,9 1.63,10 3.94,11 4.112,12 3,13 0.304,14 81.571,15 2,16 2,17 5206,18 1,19 1.745,20 4.852,21 32.75,22 3,23 4.016,24 68.122,25 1.942,26 2.844,27 2.904,28 5.501,29 1.774,30 1.991,31 4,32 67.105,33 2.515,34 9.755,35 0.078,36 2.606,37 13.632,38 2.352,39 2.352,40 1.072,41 1,42 7.49,43 6.355,44 6.833,45 4.448,47 1.482,48 7.251,49 1.057,50 1.543,51 8.591,52 2.837,53 8.05,54 85.795,55 8.48,56 0.64,57 3.67,58 3.78,59 3.358,60 3.291,61 4.883,62 3.291,63 4.123,64 4.25,65 3.714,66 3.675,67 5.374,68 3.655,69 4.326,70 5.2}
{0 CHEMBL535,1 1,2 3.187,3 25.99,4 3.971,5 30.71,6 1.823,7 20.474,8 1,9 1.83,10 3.94,11 4.085,12 4,13 0.891,14 128.978,15 3,16 3,17 10261,18 1,19 1.836,20 5.075,21 33.5,22 3,23 3.991,24 55.931,26 3.04,27 3.173,28 11.448,29 1.84,30 2.338,31 8,32 87.002,33 2.856,34 11.821,35 0.612,36 2.944,37 38.27,38 3.88,39 3.88,40 1.545,41 2,42 7.275,43 6.183,44 6.595,45 5.324,46 1,47 1.444,48 7.004,49 1.261,50 1.584,51 11.655,52 2.998,53 8.987,54 113.678,55 7.117,56 0.355,57 4.101,58 4.238,59 3.612,60 3.603,61 5.199,62 3.578,63 4.649,64 4.852,65 3.983,66 3.985,67 5.735,68 3.943,69 4.864,70 6.291}
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{0 CHEMBL590109,1 1,2 3.171,3 7.443,4 4.1,5 5,6 1.802,7 20.063,8 1,9 1.812,10 4.07,11 4.205,12 5,13 2.381,14 315.896,15 5,16 5,17 12773,18 2,19 1.981,20 5.484,21 45.25,22 5,23 4.168,24 134.591,25 6.314,26 3.318,27 3.156,28 10.138,29 1.965,30 2.434,31 2,32 98.363,33 2.851,34 14.623,35 0.335,36 2.921,37 26.562,38 4.312,39 4.312,40 1.359,41 4,42 8.862,43 7.287,44 7.863,45 5.002,47 1.469,48 8.439,49 1.138,50 1.556,51 10.161,52 3.758,53 14.126,54 126.379,55 8.511,56 0.833,57 4.059,58 4.181,59 3.789,60 3.691,61 5.213,62 3.663,63 4.545,64 4.693,65 4.204,66 4.131,67 5.649,68 4.078,69 4.743,70 6.789}
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