@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3629

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1082440,CHEMBL1084546,CHEMBL1090356,CHEMBL1090360,CHEMBL116070,CHEMBL1164265,CHEMBL1173055,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1230165,CHEMBL1233807,CHEMBL1236107,CHEMBL1236126,CHEMBL1240703,CHEMBL1241473,CHEMBL1241674,CHEMBL1242373,CHEMBL124660,CHEMBL127898,CHEMBL1287853,CHEMBL1288582,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,CHEMBL177820,CHEMBL178737,CHEMBL1789941,CHEMBL180022,CHEMBL1825138,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1928903,CHEMBL1928904,CHEMBL1928905,CHEMBL1928906,CHEMBL1928907,CHEMBL1928908,CHEMBL1928909,CHEMBL1929238,CHEMBL1958401,CHEMBL196363,CHEMBL1964290,CHEMBL1964307,CHEMBL1964399,CHEMBL1964413,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964777,CHEMBL1964804,CHEMBL1964937,CHEMBL1965131,CHEMBL1965423,CHEMBL1965495,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965631,CHEMBL1965660,CHEMBL1965836,CHEMBL1965845,CHEMBL1965910,CHEMBL1965988,CHEMBL1966035,CHEMBL1966068,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,CHEMBL1968646,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,CHEMBL1971463,CHEMBL1971649,CHEMBL1971694,CHEMBL1971801,CHEMBL1971943,CHEMBL1971947,CHEMBL1972119,CHEMBL1972125,CHEMBL1972142,CHEMBL1972158,CHEMBL1972183,CHEMBL1972221,CHEMBL1972250,CHEMBL1972258,CHEMBL1972276,CHEMBL1972362,CHEMBL1972489,CHEMBL1972568,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972820,CHEMBL1972840,CHEMBL1972849,CHEMBL1972937,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973395,CHEMBL1973483,CHEMBL1973540,CHEMBL1973711,CHEMBL1973808,CHEMBL1973860,CHEMBL1973893,CHEMBL1973937,CHEMBL1973961,CHEMBL1974157,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974457,CHEMBL1974664,CHEMBL1974702,CHEMBL1974803,CHEMBL1974870,CHEMBL1974935,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975208,CHEMBL1975233,CHEMBL1975256,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,CHEMBL1978200,CHEMBL1978448,CHEMBL1978656,CHEMBL1979057,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979318,CHEMBL1979357,CHEMBL1979516,CHEMBL1979554,CHEMBL1979577,CHEMBL1979718,CHEMBL1979855,CHEMBL1979883,CHEMBL1979970,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980297,CHEMBL1980391,CHEMBL1980489,CHEMBL1980540,CHEMBL1980704,CHEMBL1980715,CHEMBL1980802,CHEMBL1980896,CHEMBL1980995,CHEMBL1981045,CHEMBL1981047,CHEMBL1981079,CHEMBL1981107,CHEMBL1981410,CHEMBL1981720,CHEMBL1981725,CHEMBL1981782,CHEMBL1982122,CHEMBL1982135,CHEMBL1982167,CHEMBL1982361,CHEMBL1982383,CHEMBL1982465,CHEMBL1982466,CHEMBL1982476,CHEMBL1982506,CHEMBL1982541,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982711,CHEMBL1982866,CHEMBL1982874,CHEMBL1982880,CHEMBL1982924,CHEMBL1982957,CHEMBL1982980,CHEMBL1982992,CHEMBL1983006,CHEMBL1983025,CHEMBL1983111,CHEMBL1983195,CHEMBL1983268,CHEMBL1983309,CHEMBL1983449,CHEMBL1983534,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1984038,CHEMBL1984039,CHEMBL1984044,CHEMBL1984162,CHEMBL1984191,CHEMBL1984206,CHEMBL1984274,CHEMBL1984363,CHEMBL1984367,CHEMBL1984432,CHEMBL1984541,CHEMBL1984586,CHEMBL1984633,CHEMBL1984700,CHEMBL1984711,CHEMBL1984788,CHEMBL1984842,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985311,CHEMBL1985406,CHEMBL1985566,CHEMBL1985580,CHEMBL1986139,CHEMBL1986186,CHEMBL1986263,CHEMBL1986328,CHEMBL1986499,CHEMBL1986530,CHEMBL1986597,CHEMBL1986603,CHEMBL1986781,CHEMBL1986869,CHEMBL1986943,CHEMBL1986970,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987054,CHEMBL1987359,CHEMBL1987533,CHEMBL1987648,CHEMBL1987679,CHEMBL1987756,CHEMBL1987793,CHEMBL1987910,CHEMBL1988075,CHEMBL1988153,CHEMBL1988163,CHEMBL1988173,CHEMBL1988300,CHEMBL1988370,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988594,CHEMBL1988608,CHEMBL1988717,CHEMBL1988838,CHEMBL1988995,CHEMBL1989029,CHEMBL1989069,CHEMBL1989265,CHEMBL1989474,CHEMBL1989518,CHEMBL1989569,CHEMBL1989646,CHEMBL1989708,CHEMBL1989805,CHEMBL1989856,CHEMBL1990212,CHEMBL1990254,CHEMBL1990288,CHEMBL1990346,CHEMBL1990415,CHEMBL1990482,CHEMBL1990496,CHEMBL1990583,CHEMBL1990821,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991063,CHEMBL1991078,CHEMBL1991138,CHEMBL1991143,CHEMBL1991180,CHEMBL1991188,CHEMBL1991285,CHEMBL1991356,CHEMBL1991395,CHEMBL1991429,CHEMBL1991434,CHEMBL1991577,CHEMBL1991640,CHEMBL1991674,CHEMBL1991678,CHEMBL1991725,CHEMBL1991728,CHEMBL1991800,CHEMBL1991846,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,CHEMBL1994321,CHEMBL1994361,CHEMBL1994526,CHEMBL1994538,CHEMBL1994693,CHEMBL1994830,CHEMBL1994864,CHEMBL1994938,CHEMBL1995172,CHEMBL1995391,CHEMBL1995448,CHEMBL1995592,CHEMBL1995736,CHEMBL1995740,CHEMBL1995813,CHEMBL1995832,CHEMBL1995927,CHEMBL1996048,CHEMBL1996066,CHEMBL1996111,CHEMBL1996155,CHEMBL1996208,CHEMBL1996234,CHEMBL1996282,CHEMBL1996390,CHEMBL1996500,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,CHEMBL1998975,CHEMBL1999112,CHEMBL1999126,CHEMBL1999321,CHEMBL1999428,CHEMBL1999496,CHEMBL1999556,CHEMBL1999590,CHEMBL1999714,CHEMBL1999718,CHEMBL1999749,CHEMBL1999774,CHEMBL1999811,CHEMBL1999918,CHEMBL1999931,CHEMBL2000071,CHEMBL2000104,CHEMBL2000114,CHEMBL2000271,CHEMBL2000335,CHEMBL2000354,CHEMBL2000393,CHEMBL2000408,CHEMBL2000429,CHEMBL2000433,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000685,CHEMBL2000801,CHEMBL2000832,CHEMBL2000894,CHEMBL2001224,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001485,CHEMBL2001547,CHEMBL2001668,CHEMBL2001751,CHEMBL2001920,CHEMBL2001923,CHEMBL2001957,CHEMBL2001998,CHEMBL2002165,CHEMBL2002240,CHEMBL2002322,CHEMBL2002323,CHEMBL2002373,CHEMBL2002407,CHEMBL2002446,CHEMBL2002479,CHEMBL2002553,CHEMBL2002635,CHEMBL2002649,CHEMBL2002682,CHEMBL2002702,CHEMBL2002726,CHEMBL2002992,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003524,CHEMBL2003638,CHEMBL2003657,CHEMBL2003768,CHEMBL2003817,CHEMBL2004290,CHEMBL2004311,CHEMBL2004355,CHEMBL2004365,CHEMBL2004419,CHEMBL2004438,CHEMBL2004447,CHEMBL2004544,CHEMBL2004615,CHEMBL2004692,CHEMBL2004716,CHEMBL2004771,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2004934,CHEMBL2005112,CHEMBL2005186,CHEMBL2005375,CHEMBL2005475,CHEMBL2005528,CHEMBL2005548,CHEMBL2005631,CHEMBL2005792,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006010,CHEMBL2006156,CHEMBL2006188,CHEMBL2006237,CHEMBL2006263,CHEMBL2006276,CHEMBL2006439,CHEMBL2006481,CHEMBL2006493,CHEMBL2006567,CHEMBL2006580,CHEMBL2006581,CHEMBL2006715,CHEMBL2006778,CHEMBL2006785,CHEMBL2006836,CHEMBL2006933,CHEMBL2007002,CHEMBL2007044,CHEMBL2007064,CHEMBL2007138,CHEMBL2007151,CHEMBL2007296,CHEMBL2007372,CHEMBL2007592,CHEMBL2048144,CHEMBL2062555,CHEMBL2062556,CHEMBL2062557,CHEMBL2062558,CHEMBL2062559,CHEMBL2062560,CHEMBL2062561,CHEMBL2062562,CHEMBL2062563,CHEMBL2062564,CHEMBL2062565,CHEMBL2062566,CHEMBL2062567,CHEMBL2062568,CHEMBL2062569,CHEMBL2062570,CHEMBL2062571,CHEMBL2062572,CHEMBL2062573,CHEMBL2062574,CHEMBL2062575,CHEMBL2062576,CHEMBL2062577,CHEMBL2062578,CHEMBL2062579,CHEMBL2062580,CHEMBL2062581,CHEMBL2062582,CHEMBL2062583,CHEMBL2062584,CHEMBL2062585,CHEMBL207400,CHEMBL207995,CHEMBL208637,CHEMBL2087004,CHEMBL2087005,CHEMBL2087006,CHEMBL2087007,CHEMBL2087008,CHEMBL2087009,CHEMBL2087010,CHEMBL2087011,CHEMBL2087012,CHEMBL2087013,CHEMBL2087014,CHEMBL2087015,CHEMBL2087016,CHEMBL2087017,CHEMBL2087018,CHEMBL2087019,CHEMBL2087020,CHEMBL2087021,CHEMBL2087022,CHEMBL2087023,CHEMBL2087024,CHEMBL2087025,CHEMBL2087026,CHEMBL209534,CHEMBL210032,CHEMBL210618,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL213505,CHEMBL215152,CHEMBL2177299,CHEMBL219722,CHEMBL220057,CHEMBL220241,CHEMBL2205766,CHEMBL221959,CHEMBL223082,CHEMBL223257,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL225519,CHEMBL226403,CHEMBL226471,CHEMBL230011,CHEMBL230135,CHEMBL230136,CHEMBL230137,CHEMBL230246,CHEMBL230248,CHEMBL230347,CHEMBL230352,CHEMBL230353,CHEMBL230354,CHEMBL230455,CHEMBL230456,CHEMBL230462,CHEMBL230463,CHEMBL230568,CHEMBL230569,CHEMBL230673,CHEMBL230674,CHEMBL230779,CHEMBL230781,CHEMBL230886,CHEMBL2309006,CHEMBL2309609,CHEMBL230987,CHEMBL231209,CHEMBL231492,CHEMBL231590,CHEMBL231591,CHEMBL234085,CHEMBL243088,CHEMBL244378,CHEMBL246970,CHEMBL24828,CHEMBL248757,CHEMBL249282,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL259084,CHEMBL259850,CHEMBL259922,CHEMBL260092,CHEMBL260135,CHEMBL261849,CHEMBL262433,CHEMBL270512,CHEMBL271381,CHEMBL272453,CHEMBL274064,CHEMBL278041,CHEMBL28,CHEMBL288441,CHEMBL289277,CHEMBL296468,CHEMBL296586,CHEMBL300138,CHEMBL302449,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL326282,CHEMBL332551,CHEMBL336961,CHEMBL340384,CHEMBL340921,CHEMBL361708,CHEMBL362558,CHEMBL363648,CHEMBL371206,CHEMBL373598,CHEMBL373937,CHEMBL375230,CHEMBL375284,CHEMBL375530,CHEMBL376505,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379835,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL387971,CHEMBL388042,CHEMBL389604,CHEMBL389765,CHEMBL389767,CHEMBL389802,CHEMBL392642,CHEMBL394619,CHEMBL394790,CHEMBL395968,CHEMBL395969,CHEMBL396230,CHEMBL396523,CHEMBL397923,CHEMBL398149,CHEMBL398170,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL410659,CHEMBL411903,CHEMBL412142,CHEMBL413779,CHEMBL41783,CHEMBL422897,CHEMBL424872,CHEMBL428690,CHEMBL437747,CHEMBL438303,CHEMBL440084,CHEMBL443962,CHEMBL445813,CHEMBL450786,CHEMBL451155,CHEMBL451964,CHEMBL453336,CHEMBL453937,CHEMBL456634,CHEMBL458997,CHEMBL459343,CHEMBL459345,CHEMBL459346,CHEMBL459577,CHEMBL461876,CHEMBL462120,CHEMBL464552,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL485556,CHEMBL489344,CHEMBL491473,CHEMBL491758,CHEMBL493937,CHEMBL494089,CHEMBL494104,CHEMBL497151,CHEMBL50,CHEMBL502728,CHEMBL504950,CHEMBL505637,CHEMBL507936,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL512747,CHEMBL513846,CHEMBL513909,CHEMBL519697,CHEMBL521851,CHEMBL522892,CHEMBL523823,CHEMBL52387,CHEMBL523938,CHEMBL525191,CHEMBL526133,CHEMBL53418,CHEMBL535,CHEMBL535331,CHEMBL539474,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL565612,CHEMBL572878,CHEMBL572879,CHEMBL572881,CHEMBL573339,CHEMBL574060,CHEMBL574284,CHEMBL574285,CHEMBL574738,CHEMBL576982,CHEMBL578061,CHEMBL583144,CHEMBL584384,CHEMBL590109,CHEMBL592030,CHEMBL593153,CHEMBL594575,CHEMBL595730,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL610448,CHEMBL6246,CHEMBL7064,CHEMBL75680,CHEMBL91829,CHEMBL92361,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute StN numeric
@attribute n135.Triazines numeric
@attribute N. numeric
@attribute MAXDP numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute nArCN numeric
@attribute SpDiam_EA.dm. numeric
@attribute NtN numeric
@attribute Eig01_EA.dm. numeric
@attribute SpMax_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute SM10_EA.dm. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SM08_EA.dm. numeric
@attribute SM06_EA.dm. numeric
@attribute SM04_EA.dm. numeric
@attribute StsC numeric
@attribute SpMAD_AEA.dm. numeric
@attribute nArNHR numeric
@attribute GATS3v numeric
@attribute nCsp numeric
@attribute nTB numeric
@attribute NtsC numeric
@attribute ATSC3v numeric
@attribute P_VSA_LogP_3 numeric
@attribute MATS7e numeric
@attribute ATSC5p numeric
@attribute N.074 numeric
@attribute ATSC1v numeric
@attribute AECC numeric
@attribute N.073 numeric
@attribute Mp numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin3_Bh.m. numeric
@attribute ATSC3p numeric
@attribute AMW numeric
@attribute P_VSA_m_2 numeric
@attribute SM02_EA.dm. numeric
@attribute ICR numeric
@attribute Mv numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute ATSC5v numeric
@attribute nH numeric
@attribute ATSC4p numeric
@attribute ATSC4v numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute Eta_sh_p numeric
@attribute D.Dtr06 numeric
@attribute ATSC2p numeric
@attribute HVcpx numeric
@attribute CATS2D_04_AA numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_MR_8 numeric
@attribute SpMin4_Bh.m. numeric
@attribute GATS8p numeric
@attribute ATSC1p numeric
@attribute ATSC7p numeric
@attribute Eta_alpha_A numeric
@attribute X0Av numeric
@attribute DECC numeric
@attribute Eig01_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute GATS3p numeric
@attribute SpMax2_Bh.i. numeric
@attribute CATS2D_03_LL numeric
@attribute SpDiam_EA.ri. numeric
@attribute pXC50 numeric

@data
{3 7,4 5.338,5 4.698,6 6.698,7 4.698,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.975,17 9.348,18 7.185,19 5.027,21 1.602,23 1.008,27 8.97,28 113.895,29 0.218,30 7.981,32 4.237,33 10.037,34 1,35 0.73,36 1.928,37 1.921,38 8.268,39 8.778,40 198.474,41 2.913,42 2.75,43 0.699,44 1.923,45 0.098,46 9.967,47 16,48 7.928,49 8.824,50 0.157,51 0.085,52 265.59,53 6.738,54 3.291,56 191.527,57 19.133,58 1.552,59 0.948,60 3.94,61 7.987,62 0.487,63 0.568,64 1.451,65 3.103,66 3.103,67 1.01,68 3.916,69 5,70 5.103,71 5.1}
{0 CHEMBL101253,3 10,4 1.836,5 3.258,6 5.258,7 3.258,9 1.36,11 0.68,12 0.68,13 0.019,14 0.009,15 0.042,16 1.033,17 0.089,18 0.187,19 0.391,21 1.499,22 1,23 1.035,27 8.915,28 94.762,29 0.141,30 6.324,32 3.852,33 10.4,34 1,35 0.736,36 1.939,37 1.943,38 7.031,39 8.671,40 203.188,41 0.809,42 2.953,43 0.702,44 1.929,45 0.024,46 8.142,47 15,48 7.228,49 9.299,50 0.116,51 0.058,52 266.179,53 5.141,54 3.346,56 164.795,58 1.52,59 1.158,60 3.065,61 6.574,62 0.493,63 0.564,64 1.856,65 3.096,66 3.096,67 1.045,68 3.913,69 10,70 5.096,71 5.1}
{0 CHEMBL103667,3 6.6,4 6.244,5 3.613,6 5.613,7 3.613,9 2.912,11 1.656,12 1.656,13 6.093,14 7.084,15 5.117,16 1.211,17 4.177,18 3.315,19 2.627,21 1.537,23 1.101,27 20.619,28 104.239,29 0.049,30 14.355,32 9.626,33 15.333,34 1,35 0.652,36 1.977,37 1.992,38 14.363,39 6.944,40 245.668,41 2.274,42 3.329,43 0.614,44 1.982,45 0.039,46 21.162,47 37,48 16.419,49 24.524,50 0.084,51 0.126,52 481.223,53 11.499,54 3.818,55 1,56 411.989,58 1.955,59 0.976,60 7.024,61 14.686,62 0.474,63 0.594,64 2.479,65 3.316,66 3.316,67 1.094,68 4.073,69 14,70 5.316,71 5.1}
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{0 CHEMBL1336,3 8.3,4 5.121,5 4.475,6 6.475,7 4.475,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.937,17 10.736,18 8.067,19 5.479,21 1.535,23 0.982,27 8.02,28 85.286,29 0.46,30 7.271,32 3.787,33 14.281,35 0.691,36 1.924,37 1.896,38 8.178,39 9.685,40 215.731,41 3.38,42 3.254,43 0.696,44 1.931,45 0.113,46 7.605,47 16,48 8.848,49 8.205,50 0.132,51 0.187,52 372.995,53 6.648,54 3.763,55 1,56 197.905,58 1.674,59 0.973,60 4.001,61 6.854,62 0.458,63 0.538,64 2.451,65 2.944,66 2.944,67 0.987,68 3.946,69 6,70 4.944,71 5.1}
{0 CHEMBL1375418,3 12.2,4 1.625,5 3.177,6 5.177,7 3.177,9 1.315,11 0.657,12 0.657,13 0.013,14 0.006,15 0.03,16 0.942,17 0.067,18 0.149,19 0.317,21 1.494,22 1,23 1.085,27 9.501,28 104.239,29 -0.325,30 5.746,32 4.444,33 10.75,34 1,35 0.697,36 1.931,37 1.885,38 6.821,39 7.693,40 200.261,41 0.623,42 2.892,43 0.665,44 1.93,45 0.024,46 8.284,47 17,48 6.565,49 9.446,50 0.118,51 0.043,52 209.18,53 5.519,54 3.403,56 188.338,58 1.625,59 1.042,60 3.368,61 5.174,62 0.479,63 0.556,64 1.625,65 2.998,66 2.998,67 1.14,68 3.962,69 8,70 4.998,71 5.2}
{0 CHEMBL1375640,3 11.4,4 2.209,5 3.273,6 5.273,7 3.273,9 2.302,11 1.151,12 1.151,13 2.468,14 2.727,15 2.214,16 0.811,17 1.968,18 1.731,19 1.506,21 1.521,23 0.92,27 5.8,28 80.278,29 -0.223,30 5.906,32 3.133,33 9.5,35 0.737,36 1.692,37 1.695,38 6.013,39 9.51,40 171.545,41 1.294,42 2.704,43 0.699,44 1.687,45 0.048,46 6.471,47 13,48 6.743,49 6.778,50 0.136,51 0.147,52 150.66,53 5.123,54 3.243,55 1,56 129.482,57 31.278,58 1.526,59 0.769,60 2.908,61 4.835,62 0.499,63 0.607,64 1.545,65 2.83,66 2.83,67 1.074,68 3.899,69 5,70 4.83,71 5.2}
{0 CHEMBL1381197,3 13.2,4 1.796,5 3.178,6 5.178,7 3.178,9 1.315,11 0.657,12 0.657,13 0.013,14 0.006,15 0.03,16 0.93,17 0.067,18 0.149,19 0.317,21 1.512,22 1,23 1.039,27 8.315,28 104.239,29 -0.295,30 5.149,32 3.517,33 10.75,34 1,35 0.729,36 1.922,37 1.875,38 6.527,39 8.837,40 191.751,41 0.623,42 2.892,43 0.699,44 1.922,45 0.024,46 6.617,47 14,48 5.885,49 7.35,50 0.118,51 0.061,52 209.18,53 4.766,54 3.403,56 153.024,58 1.476,59 1.026,60 2.871,61 4.632,62 0.488,63 0.562,64 1.625,65 2.998,66 2.998,67 1.078,68 3.939,69 7,70 4.998,71 5.2}
{0 CHEMBL1419458,3 22,4 5.653,5 3.615,6 5.615,7 3.615,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.684,17 0.993,18 1.019,19 1.045,21 1.532,23 1.034,27 6.418,28 99.231,29 -0.126,30 4.245,31 1,32 2.935,33 10.607,34 1,35 0.695,36 1.716,37 1.595,38 5.244,39 9.156,40 273.128,41 1.072,42 2.727,43 0.699,44 1.757,45 0.032,46 4.699,47 13,48 4.953,49 6.014,50 0.117,51 0.057,52 189.575,53 4.306,54 3.332,55 6,56 117.711,58 1.49,59 0.818,60 2.757,61 4.549,62 0.456,63 0.511,64 1.592,65 3.177,66 3.177,67 1.071,68 3.921,69 3,70 5.177,71 5.2}
{0 CHEMBL1421,3 11.9,4 5.693,5 3.598,6 5.598,7 3.598,9 2.117,11 1.058,12 1.058,13 1.626,14 1.706,15 1.556,16 0.964,17 1.501,18 1.472,19 1.5,21 1.525,22 1,23 0.963,27 13.753,28 80.588,29 0.027,30 13.007,32 6.429,33 14.515,34 1,35 0.679,36 1.898,37 1.843,38 10.349,39 8.272,40 190.749,41 1.701,42 3.242,43 0.642,44 1.911,45 0.029,46 17.006,47 26,48 12.51,49 16.654,50 0.1,51 0.149,52 357.583,53 8.224,54 3.77,55 3,56 270.735,57 31.278,58 1.677,59 1.08,60 5.069,61 11.075,62 0.485,63 0.608,64 2.349,65 2.855,66 2.855,67 0.982,68 3.959,69 4,70 4.855,71 5.1}
{0 CHEMBL1461728,3 10.3,4 5.041,5 3.577,6 5.577,7 3.577,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.409,17 1.422,18 1.338,19 1.255,21 1.539,23 1.155,27 5.369,28 66.334,29 0.198,30 3.79,32 2.464,33 8.053,34 1,35 0.705,36 1.598,37 1.465,38 4.913,39 8.802,40 151.203,41 1.176,42 2.458,43 0.699,44 1.648,45 0.05,46 4.292,47 10,48 4.621,49 5.315,50 0.17,51 0.07,52 107.377,53 3.762,54 3.059,56 109.129,58 1.349,59 1.195,60 2.322,61 3.333,62 0.464,63 0.519,64 1.219,65 2.912,66 2.912,67 1.173,68 3.942,69 4,70 4.912,71 5.4}
{0 CHEMBL14762,3 11.5,4 3.474,5 3.293,6 5.293,7 3.293,9 1.315,11 0.657,12 0.657,13 0.013,14 0.006,15 0.03,16 1.148,17 0.069,18 0.157,19 0.354,21 1.487,22 2,23 0.953,27 13.299,28 90.065,29 -0.181,30 6.812,32 6.38,33 9.462,34 1,35 0.637,36 1.913,37 1.937,38 8.106,39 6.817,40 186.665,41 0.781,42 2.676,43 0.598,44 1.9,45 0.023,46 12.199,47 26,48 8.473,49 13.926,50 0.118,51 0.15,52 151.285,53 6.999,54 3.228,55 1,56 270.735,58 1.759,59 1.136,60 4.161,61 6.888,62 0.471,63 0.595,64 1.462,65 3.01,66 3.01,67 0.992,68 3.936,69 3,70 5.01,71 5}
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{0 CHEMBL162,3 6.6,4 6.322,5 4.031,6 6.031,7 4.031,9 2.315,11 1.157,12 1.157,13 2.888,14 3.12,15 2.668,16 1.166,17 2.465,18 2.286,19 2.149,21 1.636,23 0.782,27 17.155,28 93.821,29 -0.002,30 19.901,32 6.965,33 8.057,34 2,35 0.685,36 2.003,37 1.955,38 13.607,39 7.649,40 178.319,41 2.133,42 2.248,43 0.656,44 2.019,45 0.028,46 25.674,47 26,48 17.103,49 21.674,50 0.096,51 0.11,52 145.816,53 9.887,54 2.956,56 282.506,58 1.944,59 1.192,60 5.573,61 21.781,62 0.474,63 0.568,64 0.986,65 3.602,66 3.602,67 0.816,68 4.046,69 13,70 5.602,71 5.442}
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{0 CHEMBL1682341,3 14.7,4 1.245,5 3.134,6 5.134,7 3.134,9 1.36,11 0.68,12 0.68,13 0.019,14 0.009,15 0.041,16 0.791,17 0.087,18 0.18,19 0.356,21 1.49,23 1.153,27 7.285,28 84.857,29 -0.042,30 4.401,32 3.374,33 9.381,34 2,35 0.708,36 1.646,37 1.64,38 5.466,39 8.098,40 178.162,41 0.655,42 2.701,43 0.683,44 1.675,45 0.028,46 6.115,47 13,48 5.537,49 7.685,50 0.131,52 118.01,53 4.328,54 3.236,56 141.253,58 1.465,59 1.115,60 2.68,61 3.2,62 0.476,63 0.537,64 1.601,65 2.942,66 2.942,67 1.169,68 3.983,69 7,70 4.942,71 5.2}
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{0 CHEMBL1682359,3 10,4 1.848,5 3.041,6 5.041,7 3.041,16 0.683,21 1.486,23 0.988,27 7.169,28 37.905,29 0.08,30 3.732,32 3.448,33 7.765,34 1,35 0.676,36 1.602,37 1.55,38 5.171,39 7.576,40 129.878,42 2.498,43 0.647,44 1.652,46 5.038,47 13,48 4.772,49 6.521,50 0.16,51 0.062,52 38.527,53 4.398,54 2.977,56 141.253,58 1.464,59 1.312,60 2.663,61 2.745,62 0.473,63 0.565,64 1.308,65 2.998,66 2.998,67 1.031,68 3.895,69 5,70 4.998,71 5.2}
{0 CHEMBL1682360,3 10.3,4 2.01,5 3.086,6 5.086,7 3.086,9 1.605,11 0.916,12 0.916,13 0.309,14 0.262,15 0.366,16 0.93,17 0.438,18 0.533,19 0.671,21 1.488,23 1.081,27 11.22,28 37.905,29 -0.197,30 5.871,32 4.781,33 9.381,34 1,35 0.662,36 1.671,37 1.683,38 7.73,39 7.241,40 133.028,41 0.918,42 2.701,43 0.628,44 1.666,45 0.038,46 8.669,47 18,48 7.736,49 11.455,50 0.129,52 118.01,53 5.739,54 3.236,55 1,56 200.109,58 1.513,59 1.239,60 3.496,61 3.938,62 0.473,63 0.566,64 1.601,65 2.999,66 2.999,67 1.1,68 3.955,69 4,70 4.999,71 5.2}
{0 CHEMBL1682540,3 18.5,4 1.495,5 3.091,6 5.091,7 3.091,16 0.537,21 1.527,23 1.114,27 4.834,28 56,29 0.059,30 3.15,32 2.114,33 7.222,34 2,35 0.724,36 1.604,37 1.475,38 3.953,39 8.714,40 154.224,42 2.281,43 0.71,44 1.653,46 4.103,47 9,48 3.776,49 4.688,50 0.147,52 76.941,53 2.999,54 2.924,56 94.169,58 1.44,59 1.009,60 1.885,61 2.341,62 0.472,63 0.523,64 1.136,65 2.985,66 2.985,67 1.168,68 4.065,69 2,70 4.985,71 6.2}
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{0 CHEMBL1727312,3 7.7,4 4.917,5 3.62,6 5.62,7 3.62,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.339,17 1.423,18 1.34,19 1.27,21 1.545,22 1,23 0.965,27 6.06,28 75.81,29 0.026,30 4.543,32 2.491,33 5.75,34 1,35 0.712,36 1.432,37 1.349,38 4.82,39 8.087,40 127.992,41 1.27,42 1.805,43 0.687,44 1.465,45 0.059,46 5.602,47 10,48 4.652,49 5.778,50 0.201,51 0.044,52 51.96,53 3.508,54 2.594,56 94.169,58 1.254,59 0.98,60 2.074,61 2.328,62 0.477,63 0.533,64 0.781,65 3.031,66 3.031,67 1.031,68 3.824,69 3,70 5.031,71 5.2}
{0 CHEMBL17370,3 7.1,4 5.329,5 4.327,6 6.327,7 4.327,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.973,17 9.348,18 7.185,19 5.027,21 1.615,23 1.005,27 8.947,28 94.762,29 0.129,30 7.717,32 4.236,33 9.923,34 1,35 0.736,36 1.924,37 1.92,38 7.772,39 8.606,40 198.474,41 2.913,42 2.724,43 0.698,44 1.918,45 0.102,46 9.953,47 16,48 7.564,49 8.808,50 0.149,51 0.061,52 251.944,53 6.505,54 3.259,56 191.527,57 32.22,58 1.525,59 0.943,60 3.602,61 7.839,62 0.493,63 0.574,64 1.402,65 3.102,66 3.102,67 1.028,68 3.894,69 7,70 5.102,71 5.2}
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{0 CHEMBL1928907,3 6.5,4 3.53,5 4.439,6 6.439,7 4.439,9 5.9,11 2.95,12 2.95,13 13.706,14 15.858,15 11.56,16 0.768,17 9.427,18 7.313,19 5.242,21 1.73,23 0.663,27 7.031,29 0.287,30 8.278,32 2.246,33 8.857,34 1,35 0.856,36 1.684,37 1.595,38 9.251,39 18.255,40 51.161,41 3.295,42 2.529,43 0.772,44 1.683,45 0.134,46 5.329,47 10,48 9.51,49 6.176,50 0.202,51 0.477,52 56.757,53 5.411,54 3.077,56 105.94,57 216.036,58 1.339,59 1.262,60 2.005,61 6.526,62 0.649,63 0.855,64 1.401,65 3.012,66 3.012,67 0.66,68 3.724,69 4,70 5.012,71 6.3}
{0 CHEMBL1928908,3 7.4,4 3.556,5 3.683,6 5.683,7 3.683,9 3.925,11 2.341,12 2.341,13 10.216,14 11.912,15 8.526,16 0.658,17 6.849,18 5.201,19 3.628,21 1.624,23 0.633,27 6.138,29 -0.309,30 6.817,32 1.727,33 7.842,34 1,35 0.857,36 1.595,37 1.504,38 8.178,39 19.252,40 51.897,41 2.258,42 2.484,43 0.785,44 1.63,45 0.117,46 5.262,47 8,48 7.613,49 5.693,50 0.184,51 0.488,52 47.147,53 3.617,54 2.931,56 82.398,57 183.816,58 1.195,59 1.988,60 1.635,61 5.246,62 0.647,63 0.832,64 1.235,65 2.983,66 2.983,67 0.536,68 3.712,69 3,70 4.983,71 6.38}
{0 CHEMBL1928909,3 8.6,4 3.764,5 3.704,6 5.704,7 3.704,9 3.925,11 2.341,12 2.341,13 10.216,14 11.912,15 8.526,16 0.87,17 6.849,18 5.203,19 3.641,21 1.636,23 0.718,27 7.83,29 0.014,30 8.256,32 2.939,33 7.818,34 1,35 0.79,36 1.783,37 1.734,38 9.73,39 16.083,40 65.094,41 2.353,42 2.431,43 0.722,44 1.779,45 0.102,46 7.71,47 13,48 10.015,49 7.845,50 0.161,51 0.511,52 57.325,53 5.746,54 2.923,56 141.253,57 183.816,58 1.42,59 2.025,60 2.772,61 14.618,62 0.623,63 0.826,64 1.124,65 3.066,66 3.066,67 0.614,68 3.714,69 3,70 5.066,71 6.204}
{0 CHEMBL1929238,3 7.2,4 6.616,5 3.767,6 5.767,7 3.767,9 3.348,11 1.94,12 1.94,13 8.121,14 9.397,15 6.869,16 1.152,17 5.658,18 4.52,19 3.515,21 1.614,23 1.122,27 19.791,28 37.905,29 -0.225,30 14.837,32 8.399,33 13.083,35 0.669,36 1.941,37 1.926,38 15.67,39 8.038,40 168.547,41 2.793,42 3.093,43 0.623,44 1.919,45 0.051,46 19.716,47 33,48 19.818,49 25.137,50 0.099,51 0.277,52 134.951,53 10.671,54 3.628,55 1,56 364.904,57 31.278,58 1.86,59 0.876,60 6.381,61 16.549,62 0.493,63 0.656,64 1.991,65 3.263,66 3.263,67 1.113,68 3.922,69 11,70 5.263,71 4.523}
{0 CHEMBL1958401,3 10.5,4 4.775,5 3.549,6 5.549,7 3.549,9 2.416,11 1.305,12 1.305,13 3.401,14 3.87,15 2.962,16 0.827,17 2.565,18 2.224,19 1.956,21 1.501,23 0.952,27 11.002,28 46.439,29 -0.107,30 5.069,31 1,32 4.627,33 8.5,35 0.653,36 1.773,37 1.684,38 7.14,39 7.115,40 141.335,41 1.798,42 2.522,43 0.618,44 1.801,45 0.059,46 7.995,47 18,48 6.549,49 10.365,50 0.161,51 0.035,52 189.175,53 5.798,54 3.106,55 1,56 188.338,58 1.513,59 1.171,60 3.24,61 5.193,62 0.472,63 0.565,64 1.3,65 2.865,66 2.865,67 0.956,68 3.904,69 4,70 4.865,71 5.4}
{0 CHEMBL196363,3 11.4,4 5.173,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.872,17 4.156,18 3.244,19 2.415,21 1.528,23 1.04,27 8.876,28 116.356,29 -0.318,30 8.659,32 4.155,33 11.852,35 0.72,36 1.886,37 1.789,38 7.435,39 8.534,40 227.956,41 1.758,42 2.94,43 0.686,44 1.903,45 0.055,46 9.681,47 17,48 8.869,49 11.042,50 0.119,51 0.094,52 262.4,53 6.293,54 3.514,56 153.024,57 31.278,58 1.56,59 0.987,60 3.604,61 5.301,62 0.488,63 0.57,64 1.953,65 3.118,66 3.118,67 0.961,68 3.966,69 10,70 5.118,71 5.2}
{0 CHEMBL1964290,3 12.5,4 4.848,5 3.561,6 5.561,7 3.561,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.748,17 0.993,18 1.019,19 1.045,21 1.559,23 1.042,27 8.421,28 80.278,29 -0.202,30 8.479,32 4.125,33 7.957,34 1,35 0.676,36 1.706,37 1.655,38 6.3,39 7.685,40 217.846,41 1.072,42 2.442,43 0.65,44 1.733,45 0.039,46 12.175,47 17,48 7.358,49 10.143,50 0.142,51 0.197,52 148.964,53 5.549,54 3.023,56 141.253,58 1.56,59 0.936,60 3.105,61 6.434,62 0.471,63 0.562,64 1.187,65 3.196,66 3.196,67 1.073,68 3.909,69 12,70 5.196,71 6.1}
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{0 CHEMBL1964399,3 8.6,4 4.068,5 3.623,6 5.623,7 3.623,9 1.72,11 0.86,12 0.86,13 0.509,14 0.397,15 0.647,16 0.932,17 0.818,18 1.034,19 1.324,21 1.556,22 1,23 1.203,27 12.606,28 37.905,29 -0.102,30 10.175,31 2,32 6.637,33 12.581,34 1,35 0.642,36 1.914,37 1.86,38 8.674,39 7.337,40 212.156,41 1.744,42 3.071,43 0.617,44 1.919,45 0.026,46 15.099,47 27,48 10.812,49 16.495,50 0.11,51 0.256,52 222.969,53 7.609,54 3.62,55 1,56 282.506,58 1.729,59 0.837,60 4.991,61 8.303,62 0.462,63 0.596,64 2.008,65 3.281,66 3.281,67 1.277,68 3.936,69 4,70 5.281,71 6.5}
{0 CHEMBL1964413,3 12.5,4 5.286,5 4.489,6 6.489,7 4.489,9 5.335,11 3.825,12 3.825,13 16.793,14 19.476,15 14.11,16 0.791,17 11.427,18 8.751,19 6.112,21 1.514,23 1.289,27 6.745,28 65.905,29 -0.049,30 6.7,32 2.963,33 11.172,34 2,35 0.681,36 1.694,37 1.617,38 7.09,39 10.283,40 181.099,41 3.719,42 2.867,43 0.714,44 1.734,45 0.12,46 6.025,47 11,48 8.044,49 7.556,50 0.14,51 0.135,52 179.477,53 5.949,54 3.421,56 207.472,58 1.465,59 1.094,60 3.604,61 4.716,62 0.438,63 0.496,64 1.696,65 3.104,66 3.104,67 1.258,68 4.031,69 5,70 5.104,71 5.2}
{0 CHEMBL1964444,3 10.5,4 5.108,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.793,17 10.736,18 8.065,19 5.464,21 1.523,23 1.047,27 6.551,28 66.334,29 0.428,30 5.731,32 3.211,33 9.76,35 0.68,36 1.714,37 1.725,38 5.737,39 9.114,40 181.578,41 3.244,42 2.661,43 0.687,44 1.715,45 0.142,46 6.476,47 13,48 6.693,49 7.713,50 0.165,51 0.15,52 214.494,53 5.367,54 3.289,55 1,56 174.362,58 1.445,59 0.747,60 3.18,61 4.594,62 0.452,63 0.522,64 1.488,65 3.011,66 3.011,67 1.009,68 3.949,69 5,70 5.011,71 6.6}
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{0 CHEMBL1964687,3 9.8,4 5.495,5 3.566,6 5.566,7 3.566,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.937,17 4.156,18 3.244,19 2.415,21 1.556,23 1.071,27 12.47,28 89.755,29 -0.485,30 10.19,32 5.413,33 11.867,35 0.71,36 1.896,37 1.787,38 10.321,39 8.148,40 222.979,41 1.758,42 2.966,43 0.671,44 1.915,45 0.049,46 12.221,47 21,48 12.209,49 15.528,50 0.105,51 0.118,52 264.805,53 8.077,54 3.511,56 200.109,57 31.278,58 1.695,59 0.802,60 4.423,61 7.397,62 0.489,63 0.585,64 1.951,65 3.261,66 3.261,67 1.094,68 3.985,69 17,70 5.261,71 5.2}
{0 CHEMBL1964692,3 12.5,4 5.179,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.967,17 10.736,18 8.065,19 5.464,21 1.549,23 1.051,27 8.811,28 108.707,29 0.401,30 7.687,32 4.092,33 12.839,34 1,35 0.68,36 1.896,37 1.861,38 7.787,39 8.884,40 240.596,41 3.244,42 3.039,43 0.681,44 1.907,45 0.113,46 9.102,47 17,48 9.104,49 10.505,50 0.131,51 0.148,52 309.999,53 6.505,54 3.605,55 1,56 197.905,58 1.664,59 1.03,60 3.856,61 6.462,62 0.455,63 0.524,64 2.069,65 3.214,66 3.214,67 1.058,68 3.982,69 8,70 5.214,71 5.2}
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{0 CHEMBL1964937,3 8.2,4 5.605,5 3.706,6 5.706,7 3.706,9 2.988,11 1.709,12 1.709,13 6.462,14 7.52,15 5.417,16 1.015,17 4.397,18 3.427,19 2.575,21 1.528,23 1.023,27 13.507,28 127.541,29 -0.105,30 10.008,32 5.634,33 11.667,34 1,35 0.669,36 1.945,37 1.912,38 9.605,39 7.397,40 173.478,41 2.019,42 2.911,43 0.638,44 1.954,45 0.057,46 14.082,47 22,48 9.76,49 13.44,50 0.124,51 0.052,52 267.241,53 7.162,54 3.5,56 223.651,58 1.677,59 0.969,60 4.255,61 8.67,62 0.473,63 0.553,64 1.877,65 3.103,66 3.103,67 1.058,68 3.974,69 7,70 5.103,71 5.2}
{0 CHEMBL1965131,3 5.6,4 5.503,5 3.662,6 5.662,7 3.662,9 2.117,11 1.058,12 1.058,13 1.874,14 1.935,15 1.817,16 0.741,17 1.766,18 1.719,19 1.677,21 1.63,23 0.981,27 6.704,28 56.857,29 -0.094,30 6.719,32 2.802,33 8.833,35 0.774,36 1.71,37 1.6,38 6.908,39 10.536,40 146.806,41 1.641,42 2.48,43 0.735,44 1.723,45 0.041,46 6.283,47 12,48 8.28,49 7.967,50 0.141,51 0.245,52 137.672,53 5.021,54 3.085,56 105.94,57 31.278,58 1.516,59 1.161,60 2.698,61 6.396,62 0.51,63 0.619,64 1.208,65 3.109,66 3.109,67 1.085,68 3.948,69 11,70 5.109,71 5.6}
{0 CHEMBL1965423,3 10.2,4 5.451,5 3.349,6 5.349,7 3.349,16 1.054,21 1.558,23 0.953,27 11.685,28 115.927,29 0.202,30 9.704,32 5.198,33 10,34 2,35 0.708,36 1.911,37 1.936,38 9.413,39 8.276,40 199.633,42 2.715,43 0.671,44 1.899,46 12.29,47 20,48 9.901,49 12.884,50 0.101,51 0.119,52 138.802,53 7.501,54 3.287,56 226.84,57 31.278,58 1.616,59 1.047,60 4.321,61 12.031,62 0.487,63 0.584,64 1.379,65 3.179,66 3.179,67 0.931,68 4.085,69 4,70 5.179,71 5.2}
{0 CHEMBL1965495,1 9.247,3 14.3,4 3.247,5 4.073,6 6.073,7 4.073,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.694,17 6.378,18 4.962,19 3.563,20 2.199,21 1.634,23 0.943,24 1,25 1,26 1,27 5.423,28 47.381,29 -0.304,30 4.13,31 1,32 2.526,33 5.889,34 1,35 0.725,36 1.737,37 1.681,38 4.259,39 8.367,40 179.628,41 2.228,42 1.891,43 0.702,44 1.766,45 0.102,46 5.188,47 10,48 4.548,49 5.855,50 0.204,51 0.105,52 84.91,53 3.51,54 2.582,55 1,56 105.94,58 1.215,59 0.708,60 2.091,61 3.563,62 0.478,63 0.545,64 0.815,65 3.251,66 3.251,67 0.985,68 3.868,69 10,70 5.251,71 5.2}
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{0 CHEMBL1965570,3 8.2,4 5.715,5 3.574,6 5.574,7 3.574,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.043,17 4.156,18 3.244,19 2.415,21 1.539,23 0.967,27 9.387,28 149.311,29 -0.01,30 11.182,32 4.108,33 13.313,35 0.732,36 1.93,37 1.891,38 8.828,39 9.072,40 248.465,41 1.758,42 3.102,43 0.71,44 1.926,45 0.046,46 11.135,47 17,48 9.984,49 10.561,50 0.099,51 0.066,52 307.539,53 7.082,54 3.664,56 167.984,57 31.278,58 1.581,59 1.019,60 4.057,61 7.37,62 0.481,63 0.545,64 2.125,65 3.206,66 3.206,67 0.905,68 3.959,69 11,70 5.206,71 5.2}
{0 CHEMBL1965589,3 12.5,4 6.621,5 3.592,6 5.592,7 3.592,9 0.8,11 0.4,12 0.4,16 0.987,17 0.001,18 0.008,19 0.05,21 1.555,22 1,23 0.908,27 8.979,28 89.636,29 -0.05,30 7.751,32 4.514,33 10.067,34 1,35 0.681,36 1.897,37 1.83,38 7.817,39 8.509,40 203.556,41 0.278,42 2.689,43 0.673,44 1.921,45 0.012,46 9.826,47 18,48 7.422,49 9.317,50 0.106,51 0.102,52 243.309,53 6.494,54 3.248,55 1,56 218.258,58 1.654,59 1.136,60 3.984,61 9.103,62 0.46,63 0.537,64 1.413,65 3.255,66 3.255,67 0.912,68 3.977,69 1,70 5.255,71 5.2}
{0 CHEMBL1965631,3 14.3,4 5.07,5 3.625,6 5.625,7 3.625,9 3.43,11 1.959,12 1.959,13 8.101,14 9.432,15 6.781,16 0.992,17 5.481,18 4.223,19 3.064,21 1.518,23 1.223,27 11.039,28 84.857,29 0.024,30 5.922,32 5.287,33 12.214,34 2,35 0.67,36 1.886,37 1.856,38 7.886,39 7.663,40 216.18,41 2.208,42 3.084,43 0.644,44 1.898,45 0.063,46 8.532,47 21,48 8.483,49 13.095,50 0.117,51 0.102,52 170.182,53 6.038,54 3.574,56 223.651,58 1.618,59 1.091,60 3.918,61 5.983,62 0.469,63 0.563,64 2.031,65 3.059,66 3.059,67 1.246,68 4.001,69 5,70 5.059,71 5.5}
{0 CHEMBL1965660,3 14.7,4 4.761,5 3.565,6 5.565,7 3.565,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.67,17 0.993,18 1.019,19 1.045,21 1.57,23 0.977,27 5.394,28 80.278,29 -0.219,30 6.042,32 2.201,33 8.435,34 1,35 0.742,36 1.683,37 1.614,38 5.337,39 10.241,40 200.826,41 1.072,42 2.546,43 0.723,44 1.711,45 0.039,46 6.844,47 11,48 5.376,49 5.522,50 0.143,51 0.227,52 149.772,53 4.051,54 3.072,56 70.627,58 1.447,59 1.124,60 2.272,61 5.358,62 0.49,63 0.573,64 1.323,65 3.141,66 3.141,67 0.959,68 3.876,69 6,70 5.141,71 6.7}
{0 CHEMBL1965836,3 7.5,4 4.402,5 4.437,6 6.437,7 4.437,9 5.542,11 4.032,12 4.032,13 16.732,14 19.52,15 13.943,16 0.965,17 11.156,18 8.374,19 5.638,21 1.51,23 1.127,27 12.047,28 75.81,29 -0.146,30 10.376,32 5.369,33 13.625,34 1,35 0.667,36 1.865,37 1.846,38 9.691,39 8.349,40 230.2,41 3.236,42 3.093,43 0.659,44 1.872,45 0.115,46 12.436,47 21,48 11.027,49 14.336,50 0.127,51 0.12,52 320.493,53 8.009,54 3.725,56 256.76,58 1.758,59 1.018,60 4.893,61 9.038,62 0.457,63 0.537,64 2.148,65 3.059,66 3.059,67 1.074,68 3.973,69 10,70 5.059,71 5.3}
{0 CHEMBL1965845,3 7.7,4 5.68,5 3.703,6 5.703,7 3.703,9 2.988,11 1.709,12 1.709,13 6.463,14 7.52,15 5.419,16 1.015,17 4.404,18 3.452,19 2.655,21 1.535,23 1.036,27 13.726,28 75.381,29 0.208,30 10.972,32 6.19,33 12.393,34 1,35 0.664,36 1.945,37 1.912,38 9.799,39 7.24,40 188.953,41 2.198,42 3.053,43 0.63,44 1.955,45 0.055,46 15.736,47 24,48 10.541,49 14.706,50 0.119,51 0.101,52 278.41,53 7.656,54 3.589,56 258.964,58 1.728,59 0.913,60 4.588,61 9.581,62 0.474,63 0.575,64 2.008,65 3.103,66 3.103,67 1.072,68 3.978,69 8,70 5.103,71 5.2}
{0 CHEMBL1965910,3 7.4,4 2.606,5 3.39,6 5.39,7 3.39,9 2.302,11 1.151,12 1.151,13 2.473,14 2.73,15 2.225,16 1.16,17 1.991,18 1.778,19 1.603,21 1.514,23 1.005,27 21.552,28 127.231,29 0.158,30 16.535,32 8.832,33 13.514,34 1,35 0.664,36 1.987,37 2.002,38 14.791,39 6.877,40 219.871,41 1.528,42 3.194,43 0.621,44 1.977,45 0.029,46 24.103,47 33,48 16.063,49 23.245,50 0.085,51 0.024,52 411.631,53 11.02,54 3.686,55 1,56 364.904,58 1.86,59 0.981,60 6.308,61 14.127,62 0.481,63 0.576,64 2.245,65 3.234,66 3.234,67 1.03,68 3.975,69 10,70 5.234,71 5.2}
{0 CHEMBL1965988,3 9.6,4 5.283,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.112,16 1.01,17 4.159,18 3.26,19 2.476,20 5.925,21 1.524,23 0.969,24 2,25 1,26 2,27 11.317,28 116.356,29 -0.248,30 10.391,32 5.147,33 13.742,35 0.716,36 1.928,37 1.885,38 9.202,39 8.222,40 284.278,41 1.944,42 3.272,43 0.677,44 1.927,45 0.049,46 12.009,47 21,48 10.267,49 12.85,50 0.105,51 0.108,52 305.053,53 7.679,54 3.71,56 176.567,57 31.278,58 1.677,59 1.023,60 4.279,61 8.122,62 0.489,63 0.571,64 2.219,65 3.176,66 3.176,67 0.927,68 3.968,69 13,70 5.176,71 5.2}
{0 CHEMBL1966035,3 8.1,4 3.826,5 3.616,6 5.616,7 3.616,9 1.59,11 0.795,12 0.795,13 0.124,14 0.079,15 0.194,16 0.862,17 0.302,18 0.469,19 0.722,21 1.522,23 0.976,27 7.643,28 66.334,29 -0.193,30 6.1,31 2,32 3.784,33 9.227,35 0.689,36 1.831,37 1.791,38 5.697,39 7.928,40 155.066,41 1.093,42 2.698,43 0.666,44 1.847,45 0.033,46 8.007,47 15,48 5.804,49 7.657,50 0.151,51 0.113,52 152.625,53 4.684,54 3.222,55 1,56 153.024,58 1.652,59 1.019,60 3.204,61 5.563,62 0.471,63 0.546,64 1.43,65 3.161,66 3.161,67 0.975,68 3.917,69 5,70 5.161,71 5.2}
{0 CHEMBL1966068,3 3,4 4.993,5 4.207,6 6.207,7 4.207,9 5.225,11 2.612,12 2.612,13 12.217,14 14.137,15 10.298,16 0.651,17 8.382,18 6.481,19 4.638,21 1.644,23 1.129,27 6.109,28 75.81,29 0.214,30 5.379,31 1,32 2.537,33 9.217,35 0.757,36 1.551,37 1.52,38 6.143,39 11.278,40 134.907,41 3.036,42 2.703,43 0.744,44 1.575,45 0.1,46 5.464,47 10,48 6.189,49 5.925,50 0.162,51 0.144,52 121.547,53 4.686,54 3.199,56 117.711,57 45.954,58 1.434,59 1.244,60 2.668,61 4.526,62 0.503,63 0.581,64 1.463,65 3.096,66 3.096,67 1.116,68 3.915,69 11,70 5.096,71 5.8}
{0 CHEMBL1966069,3 22.2,4 1.243,5 3.183,6 5.183,7 3.183,9 1.043,11 0.522,12 0.522,13 0.001,15 0.003,16 0.896,17 0.011,18 0.039,19 0.138,21 1.521,23 1.103,27 6.069,28 75.381,29 -0.099,30 4.184,32 2.962,33 10.208,34 3,35 0.71,36 1.76,37 1.715,38 4.931,39 8.788,40 204.339,41 0.434,42 2.757,43 0.701,44 1.781,45 0.019,46 5.501,47 12,48 4.776,49 6.049,50 0.114,52 118.138,53 4.024,54 3.336,55 3,56 129.482,58 1.465,59 0.927,60 2.572,61 3.194,62 0.467,63 0.522,64 1.625,65 2.966,66 2.966,67 1.134,68 4.118,69 3,70 4.966,71 5.2}
{0 CHEMBL1966087,3 8.1,4 2.399,5 3.094,6 5.094,7 3.094,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.367,16 0.928,17 0.47,18 0.597,19 0.763,21 1.445,23 1.043,27 9.71,28 65.392,29 -0.015,30 5.264,32 4.42,33 9.4,35 0.67,36 1.751,37 1.792,38 7.082,39 7.226,40 153.513,41 1.029,42 2.733,43 0.634,44 1.726,45 0.039,46 7.409,47 17,48 6.361,49 8.982,50 0.141,52 135.428,53 5.232,54 3.252,56 188.338,58 1.68,59 0.963,60 3.295,61 5.04,62 0.477,63 0.56,64 1.6,65 2.653,66 2.653,67 1.001,68 3.891,69 4,70 4.601,71 5.2}
{0 CHEMBL1966279,3 8.8,4 5.726,5 4.684,6 6.684,7 4.684,9 2.117,11 1.058,12 1.058,13 1.874,14 1.935,15 1.817,16 1.132,17 1.766,18 1.719,19 1.677,21 1.576,23 0.96,27 14.416,28 135.927,29 -0.07,30 10.866,31 1,32 5.811,33 14.706,35 0.69,36 1.942,37 1.941,38 12.24,39 8.379,40 251.541,41 1.641,42 3.293,43 0.665,44 1.932,45 0.029,46 12.429,47 23,48 11.656,49 13.177,50 0.127,51 0.107,52 437.93,53 8.727,54 3.797,56 211.88,58 1.9,59 1.046,60 5.211,61 10.524,62 0.475,63 0.557,64 2.37,65 3.166,66 3.166,67 1.105,68 4.028,69 11,70 5.166,71 5.2}
{0 CHEMBL1966343,3 11.4,4 1.896,5 3.131,6 5.131,7 3.131,16 0.716,21 1.521,23 1.14,27 8.703,28 70.802,29 0.034,30 4.462,32 4.104,33 8,34 1,35 0.658,36 1.645,37 1.57,38 6.062,39 7.324,40 162.346,42 2.465,43 0.627,44 1.7,46 6.519,47 16,48 6.205,49 9.321,50 0.149,51 0.157,52 44.819,53 5.199,54 3.016,56 153.024,58 1.492,59 1.371,60 3.018,61 3.339,62 0.47,63 0.578,64 1.368,65 3.056,66 3.056,67 1.198,68 3.912,69 5,70 5.056,71 5.8}
{0 CHEMBL1966425,3 6.8,4 5.351,5 3.659,6 5.659,7 3.659,9 2.162,11 1.081,12 1.081,13 1.87,14 1.979,15 1.777,16 1.067,17 1.705,18 1.668,19 1.693,21 1.536,22 1,23 1.05,27 14.759,28 94.762,29 -0.129,30 11.253,32 6.733,33 13.758,34 1,35 0.674,36 1.932,37 1.937,38 11.28,39 7.501,40 215.844,41 1.878,42 3.245,43 0.644,44 1.925,45 0.029,46 15.298,47 26,48 12.169,49 16.564,50 0.099,51 0.085,52 288.577,53 8.68,54 3.702,55 1,56 282.506,58 1.856,59 1.189,60 5.27,61 10.008,62 0.473,63 0.567,64 2.296,65 3.216,66 3.216,67 1.09,68 4.049,69 12,70 5.216,71 5.2}
{0 CHEMBL1966514,3 8.2,4 5.279,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.043,17 4.156,18 3.244,19 2.415,21 1.531,23 0.982,27 9.234,28 149.311,29 -0.039,30 11.197,32 4.108,33 13.344,35 0.732,36 1.93,37 1.891,38 8.843,39 9.072,40 248.465,41 1.758,42 3.114,43 0.71,44 1.926,45 0.046,46 10.873,47 17,48 9.93,49 10.996,50 0.099,51 0.066,52 308.79,53 7.082,54 3.682,56 167.984,57 31.278,58 1.581,59 1.018,60 4.057,61 7.375,62 0.481,63 0.545,64 2.156,65 3.206,66 3.206,67 0.903,68 3.959,69 11,70 5.206,71 5.2}
{0 CHEMBL1966524,3 8.2,4 2.459,5 3.163,6 5.163,7 3.163,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 1.053,17 0.469,18 0.593,19 0.739,21 1.515,23 1.058,27 12.487,28 75.381,29 -0.04,30 9.458,32 5.191,33 12.621,34 1,35 0.719,36 1.946,37 1.906,38 10.281,39 8.174,40 222.96,41 0.908,42 3.069,43 0.678,44 1.943,45 0.026,46 12.029,47 20,48 11.25,49 13.837,50 0.096,51 0.028,52 258.902,53 7.538,54 3.63,56 200.109,57 31.278,58 1.851,59 1.004,60 4.308,61 9.363,62 0.492,63 0.57,64 1.936,65 3.03,66 3.03,67 1.079,68 4.087,69 9,70 5.03,71 6.4}
{0 CHEMBL1966628,3 14,4 1.963,5 3.162,6 5.162,7 3.162,9 0.8,11 0.4,12 0.4,16 0.835,17 0.001,18 0.008,19 0.05,21 1.498,22 1,23 0.98,27 12.398,28 37.476,29 0.148,30 6.381,32 5.044,33 10,34 1,35 0.66,36 1.895,37 1.827,38 7.883,39 7.173,40 195.889,41 0.278,42 2.736,43 0.624,44 1.915,45 0.015,46 10.245,47 20,48 7.626,49 12.176,50 0.122,51 0.037,52 196.7,53 6.328,54 3.308,56 188.338,58 1.556,59 1.134,60 3.425,61 5.643,62 0.474,63 0.559,64 1.478,65 3.086,66 3.086,67 1.013,68 3.963,69 4,70 5.086,71 5.6}
{0 CHEMBL1966703,3 6.8,4 6.569,5 3.835,6 5.835,7 3.835,9 2.346,11 1.36,12 1.36,13 3.757,14 4.341,15 3.201,16 0.925,17 2.696,18 2.278,19 2.004,21 1.585,23 1.214,27 12.799,28 37.905,29 -0.367,30 9.332,31 1,32 5.425,33 7.083,34 1,35 0.665,36 1.785,37 1.797,38 9.869,39 7.396,40 146.08,41 1.93,42 2.147,43 0.634,44 1.782,45 0.05,46 12.029,47 20,48 12.134,49 16.804,50 0.142,51 0.187,52 143.153,53 7.494,54 2.758,56 226.84,58 1.642,59 0.959,60 4.272,61 9.569,62 0.472,63 0.584,64 0.861,65 3.407,66 3.407,67 1.254,68 3.882,69 10,70 5.407,71 5.2}
{0 CHEMBL1966722,3 6.5,4 5.939,5 4.38,6 6.38,7 4.38,9 4.129,11 2.538,12 2.538,13 11.189,14 13.043,15 9.346,16 1.01,17 7.528,18 5.772,19 4.163,21 1.545,23 1.023,27 11.116,28 175.351,29 -0.004,30 9.897,32 4.357,33 11.214,35 0.729,36 1.926,37 1.961,38 9.488,39 8.955,40 204.072,41 2.898,42 2.843,43 0.69,44 1.905,45 0.085,46 10.275,47 18,48 9.83,49 10.694,50 0.146,51 0.159,52 326.896,53 6.045,54 3.414,56 164.795,57 45.192,58 1.513,59 1.138,60 3.73,61 9.681,62 0.497,63 0.582,64 1.571,65 3.56,66 3.56,67 1.059,68 3.932,69 14,70 5.56,71 5.8}
{0 CHEMBL1966808,3 13.9,4 5.349,5 3.74,6 5.74,7 3.74,9 2.86,11 1.629,12 1.629,13 5.892,14 6.852,15 4.946,16 0.91,17 4.023,18 3.143,19 2.344,21 1.594,23 0.921,27 9.343,28 18.952,29 -0.467,30 5.17,32 3.35,33 8.391,34 1,35 0.727,36 1.838,37 1.68,38 8.265,39 8.984,40 137.983,41 1.701,42 2.525,43 0.698,44 1.87,45 0.06,46 5.508,47 13,48 7.496,49 8.123,50 0.139,51 0.03,52 128.377,53 5.597,54 3.057,55 1,56 141.253,57 31.278,58 1.427,59 1.179,60 3.05,61 5.049,62 0.486,63 0.568,64 1.278,65 3.205,66 3.205,67 1.055,68 3.921,69 6,70 5.205,71 7}
{0 CHEMBL1966816,3 11.4,4 5.699,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.657,17 10.736,18 8.065,19 5.464,21 1.529,23 0.956,27 5.102,28 66.334,29 0.488,30 4.989,32 2.401,33 9.76,35 0.687,36 1.65,37 1.629,38 5.216,39 10.009,40 178.689,41 3.244,42 2.661,43 0.713,44 1.679,45 0.142,46 4.485,47 10,48 5.658,49 5.227,50 0.165,51 0.133,52 213.221,53 4.802,54 3.283,55 1,56 154.009,58 1.374,59 0.877,60 2.868,61 3.516,62 0.443,63 0.497,64 1.488,65 3.031,66 3.031,67 0.924,68 3.949,69 2,70 5.031,71 7.1}
{0 CHEMBL1967094,3 7.7,4 5.436,5 3.577,6 5.577,7 3.577,9 2.162,11 1.081,12 1.081,13 1.807,14 1.939,15 1.679,16 0.82,17 1.555,18 1.438,19 1.343,21 1.553,23 1.105,27 8.836,28 94.762,29 -0.334,30 7.177,32 3.524,33 11.48,34 1,35 0.758,36 1.723,37 1.681,38 7.745,39 9.433,40 169.786,41 1.331,42 2.953,43 0.717,44 1.732,45 0.039,46 8.152,47 14,48 7.617,49 8.164,50 0.128,51 0.083,52 164.075,53 5.324,54 3.491,56 141.253,57 31.278,58 1.521,59 1.209,60 3.081,61 5.822,62 0.503,63 0.588,64 1.821,65 3.078,66 3.078,67 1.207,68 3.944,69 10,70 5.078,71 5.2}
{0 CHEMBL1967116,3 10.9,4 5.348,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.059,17 4.156,18 3.244,19 2.415,21 1.537,23 1.026,27 11.678,28 125.404,29 -0.204,30 11.701,32 5.544,33 13.909,34 1,35 0.713,36 1.935,37 1.893,38 9.588,39 8.265,40 263.331,41 1.758,42 3.268,43 0.677,44 1.932,45 0.045,46 13.48,47 22,48 11.847,49 14.876,50 0.096,51 0.108,52 319.427,53 7.991,54 3.736,56 211.88,57 31.278,58 1.722,59 1.052,60 4.596,61 9.006,62 0.487,63 0.575,64 2.226,65 3.206,66 3.206,67 0.955,68 3.977,69 13,70 5.206,71 5.2}
{0 CHEMBL1967302,3 7.7,4 4.58,5 3.683,6 5.683,7 3.683,9 3.497,11 1.987,12 1.987,13 8.273,14 9.631,15 6.928,16 1.071,17 5.603,18 4.323,19 3.148,21 1.556,23 1.09,27 13.419,28 84.857,29 -0.036,30 9.979,32 5.674,33 13.233,34 1,35 0.688,36 1.899,37 1.889,38 10.297,39 7.663,40 227.257,41 2.246,42 3.111,43 0.659,44 1.898,45 0.058,46 13.575,47 22,48 11.127,49 15.159,50 0.108,51 0.051,52 263.076,53 7.859,54 3.684,56 211.88,58 1.794,59 0.985,60 4.494,61 8.836,62 0.476,63 0.546,64 2.033,65 3.03,66 3.03,67 1.069,68 4.064,69 13,70 5.03,71 5.2}
{0 CHEMBL1967531,3 12.2,4 5.061,5 3.562,6 5.562,7 3.562,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.872,17 4.156,18 3.244,19 2.415,21 1.524,23 0.977,27 7.942,28 125.832,29 -0.118,30 8.062,32 3.551,33 11.731,35 0.73,36 1.885,37 1.789,38 6.888,39 8.816,40 225.422,41 1.758,42 2.922,43 0.699,44 1.901,45 0.057,46 8.617,47 15,48 7.659,49 9.068,50 0.123,51 0.058,52 250.335,53 5.575,54 3.491,56 129.482,57 31.278,58 1.43,59 1.055,60 3.247,61 4.991,62 0.487,63 0.556,64 1.926,65 3.118,66 3.118,67 0.899,68 3.946,69 9,70 5.118,71 5.2}
{0 CHEMBL1967544,3 7.9,4 7.063,5 4.749,6 6.749,7 4.749,9 1.2,11 0.8,12 0.8,13 0.067,14 0.043,15 0.102,16 1.118,17 0.157,18 0.246,19 0.413,21 1.541,23 0.973,27 16.791,28 110.046,29 -0.053,30 16.307,32 7.102,33 12.333,35 0.698,36 1.975,37 1.911,38 13.961,39 7.9,40 256.271,41 0.824,42 3.063,43 0.659,44 1.972,45 0.02,46 19.613,47 27,48 16.45,49 19.332,50 0.119,51 0.118,52 493.19,53 9.397,54 3.583,56 294.278,58 1.774,59 0.81,60 5.855,61 16.734,62 0.486,63 0.583,64 1.852,65 3.323,66 3.323,67 1.098,68 4.098,69 16,70 5.323,71 5.2}
{0 CHEMBL1967560,3 10.5,4 6.06,5 3.876,6 5.876,7 3.876,9 2.972,11 1.701,12 1.701,13 6.416,14 7.46,15 5.391,16 1.211,17 4.407,18 3.512,19 2.802,21 1.55,22 1,23 0.989,27 21.339,28 28.429,29 -0.099,30 14.459,32 9.469,33 14.237,34 1,35 0.629,36 1.97,37 1.931,38 13.193,39 6.878,40 204.496,41 2.465,42 3.242,43 0.595,44 1.974,45 0.041,46 22.873,47 38,48 13.899,49 22.543,50 0.092,51 0.151,52 491.975,53 10.218,54 3.72,55 1,56 423.76,58 1.86,59 0.838,60 6.219,61 14.479,62 0.466,63 0.598,64 2.488,65 3.168,66 3.168,67 1.057,68 3.974,69 1,70 5.168,71 5.2}
{0 CHEMBL1967564,3 12.1,4 4.638,5 3.598,6 5.598,7 3.598,9 3.306,11 1.907,12 1.907,13 7.771,14 9.051,15 6.501,16 0.779,17 5.25,18 4.037,19 2.904,21 1.528,23 0.89,27 7.555,28 47.381,29 -0.24,30 3.863,32 3.567,33 8.316,34 1,35 0.675,36 1.701,37 1.664,38 5.392,39 7.707,40 145.436,41 1.953,42 2.55,43 0.65,44 1.715,45 0.091,46 5.281,47 14,48 4.696,49 6.723,50 0.171,51 0.093,52 73.679,53 4.666,54 3.049,56 141.253,58 1.484,59 1.056,60 2.72,61 3.342,62 0.47,63 0.558,64 1.385,65 3.058,66 3.058,67 0.929,68 3.834,69 5,70 5.058,71 5.2}
{0 CHEMBL1967720,3 11.3,4 5.356,5 4.036,6 6.036,7 4.036,9 3.388,11 1.934,12 1.934,13 8.094,14 9.362,15 6.847,16 1.052,17 5.634,18 4.472,19 3.395,21 1.569,23 1.015,27 12.585,28 125.404,29 -0.03,30 14.463,32 5.907,33 15.474,34 1,35 0.7,36 1.959,37 1.936,38 11.126,39 8.543,40 307.297,41 2.491,42 3.389,43 0.676,44 1.969,45 0.046,46 17.091,47 24,48 13.462,49 16.048,50 0.096,51 0.152,52 375.649,53 9.182,54 3.881,55 1,56 226.84,57 31.278,58 1.879,59 1.321,60 5.204,61 10.323,62 0.476,63 0.562,64 2.632,65 3.399,66 3.399,67 0.948,68 3.992,69 11,70 5.399,71 5.2}
{0 CHEMBL1967878,3 11.1,4 6.524,5 3.773,6 5.773,7 3.773,9 3.272,11 1.886,12 1.886,13 7.638,14 8.895,15 6.391,16 1.163,17 5.165,18 3.983,19 2.914,21 1.56,22 2,23 1.155,27 18.448,28 47.381,29 0.018,30 12.371,32 7.629,33 13.424,34 1,35 0.644,36 1.922,37 1.923,38 12.133,39 7.168,40 220.098,41 2.229,42 3.132,43 0.612,44 1.916,45 0.051,46 18.934,47 30,48 13.441,49 20.444,50 0.102,51 0.131,52 450.546,53 9.382,54 3.676,56 321.009,58 1.772,59 1.099,60 5.277,61 8.797,62 0.467,63 0.575,64 2.169,65 3.259,66 3.259,67 1.16,68 4.022,69 4,70 5.259,71 5.2}
{0 CHEMBL1967887,3 11.1,4 2.007,5 3.147,6 5.147,7 3.147,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.892,17 0.469,18 0.593,19 0.739,21 1.502,23 0.951,27 8.152,28 37.905,29 0.031,30 5.719,32 4.022,33 8.65,34 1,35 0.668,36 1.761,37 1.758,38 5.921,39 7.454,40 173.62,41 0.908,42 2.546,43 0.638,44 1.772,45 0.039,46 8.215,47 16,48 6.077,49 8.627,50 0.143,51 0.095,52 106.904,53 4.913,54 3.113,56 153.024,58 1.695,59 1.011,60 3.036,61 4.511,62 0.472,63 0.563,64 1.45,65 3.059,66 3.059,67 0.931,68 3.887,69 7,70 5.059,71 5.2}
{0 CHEMBL1968070,3 17.9,4 5.108,5 3.646,6 5.646,7 3.646,9 2.117,11 1.058,12 1.058,13 1.874,14 1.935,15 1.817,16 0.282,17 1.766,18 1.721,19 1.687,21 1.616,22 1,23 0.986,27 4.007,28 37.905,29 0.292,30 4.644,32 1.526,33 6.95,34 1,35 0.726,36 1.52,37 1.403,38 4.386,39 10.346,40 166.843,41 1.701,42 2.285,43 0.729,44 1.568,45 0.048,46 4.707,47 8,48 4.288,49 3.889,50 0.166,51 0.19,52 72.495,53 3.207,54 2.816,55 1,56 47.084,57 39.149,58 1.266,59 0.962,60 1.838,61 2.584,62 0.469,63 0.537,64 1.06,65 3.108,66 3.108,67 1.062,68 3.818,69 2,70 5.108,71 5.7}
{0 CHEMBL1968127,3 10.9,4 5.407,5 3.328,6 5.328,7 3.328,9 1.2,11 0.8,12 0.8,13 0.067,14 0.043,15 0.102,16 0.913,17 0.157,18 0.246,19 0.413,21 1.528,22 1,23 1.297,27 13.746,28 68.168,29 0.082,30 9.893,32 6.282,33 11.5,34 1,35 0.655,36 1.908,37 1.852,38 9.844,39 7.428,40 215.103,41 0.824,42 2.921,43 0.627,44 1.92,45 0.024,46 14.425,47 25,48 10.802,49 17.082,50 0.101,51 0.163,52 176.397,53 7.445,54 3.447,55 1,56 297.467,58 1.755,59 1.021,60 4.582,61 8.821,62 0.467,63 0.585,64 1.7,65 3.18,66 3.18,67 1.383,68 3.924,69 2,70 5.18,71 5.2}
{0 CHEMBL1968151,3 19.2,4 4.935,5 3.722,6 5.722,7 3.722,9 2.86,11 1.629,12 1.629,13 5.892,14 6.852,15 4.946,16 0.588,17 4.023,18 3.143,19 2.344,21 1.584,23 0.999,27 3.561,28 36.078,29 -0.25,30 2.889,32 1.528,33 7.158,34 1,35 0.765,36 1.517,37 1.416,38 4.191,39 10.358,40 140.426,41 1.701,42 2.26,43 0.751,44 1.499,45 0.074,46 2.414,47 7,48 3.25,49 2.273,50 0.169,51 0.036,52 81.385,53 3.226,54 2.865,55 1,56 70.627,57 31.278,58 1.181,59 1.419,60 1.896,61 2.544,62 0.482,63 0.547,64 1.114,65 3.092,66 3.092,67 1.076,68 3.869,70 5.028,71 6.9}
{0 CHEMBL1968245,3 8,4 2.379,5 3.272,6 5.272,7 3.272,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 1.059,17 0.469,18 0.593,19 0.739,21 1.503,23 1.051,27 12.675,28 94.334,29 -0.147,30 9.382,32 5.346,33 13.138,34 1,35 0.704,36 1.92,37 1.896,38 9.651,39 8.099,40 234.446,41 0.908,42 3.095,43 0.667,44 1.926,45 0.027,46 12.494,47 21,48 10.583,49 14.033,50 0.102,51 0.079,52 293.875,53 7.032,54 3.662,56 211.88,57 39.149,58 1.836,59 0.831,60 4.199,61 9.309,62 0.488,63 0.569,64 2.143,65 3.03,66 3.03,67 1.039,68 3.981,69 10,70 5.03,71 5.2}
{0 CHEMBL1968380,3 9.1,4 6.135,5 3.94,6 5.94,7 3.94,9 3.465,11 1.989,12 1.989,13 8.278,14 9.639,15 6.929,16 1.211,17 5.607,18 4.354,19 3.28,21 1.547,22 1,23 1.005,27 22.827,28 28.429,29 -0.1,30 15.761,32 9.87,33 14.237,34 1,35 0.631,36 1.976,37 1.967,38 14.58,39 6.776,40 202.475,41 2.653,42 3.242,43 0.594,44 1.976,45 0.047,46 24.678,47 39,48 15.746,49 24.541,50 0.094,51 0.15,52 491.975,53 11.066,54 3.72,55 1,56 435.531,58 1.86,59 0.848,60 6.578,61 14.967,62 0.468,63 0.602,64 2.488,65 3.179,66 3.179,67 1.064,68 3.976,69 1,70 5.179,71 5.2}
{0 CHEMBL1968406,3 9.8,4 5.472,5 3.565,6 5.565,7 3.565,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.938,17 4.156,18 3.244,19 2.415,21 1.541,23 0.954,27 13.129,28 99.231,29 -0.25,30 10.806,32 5.413,33 12.467,35 0.71,36 1.896,37 1.787,38 10.712,39 8.148,40 222.979,41 1.758,42 3.057,43 0.671,44 1.915,45 0.049,46 13.234,47 21,48 11.534,49 14.474,50 0.105,51 0.084,52 265.514,53 8.062,54 3.577,56 200.109,57 31.278,58 1.739,59 0.791,60 4.423,61 8.009,62 0.489,63 0.578,64 1.969,65 3.261,66 3.261,67 0.989,68 3.976,69 18,70 5.261,71 5.2}
{0 CHEMBL1968590,3 9.5,4 4.496,5 3.449,6 5.449,7 3.449,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.802,17 1.422,18 1.338,19 1.255,21 1.555,23 0.905,27 8.469,28 87.927,29 0.091,30 9.123,32 4.049,33 10.462,35 0.746,36 1.764,37 1.722,38 8.144,39 9.06,40 189.506,41 1.176,42 2.888,43 0.698,44 1.781,45 0.036,46 10.329,47 16,48 8.628,49 9.178,50 0.119,51 0.132,52 123.291,53 6.636,54 3.352,56 153.024,57 62.555,58 1.672,59 1.082,60 3.638,61 8.059,62 0.504,63 0.61,64 1.805,65 3.183,66 3.183,67 0.972,68 3.992,69 10,70 5.183,71 5.2}
{0 CHEMBL1968646,3 6.7,4 3.96,5 3.306,6 5.306,7 3.306,16 0.626,21 1.528,23 0.896,27 5.786,28 85.286,29 -0.274,30 3.63,32 2.462,33 7.7,35 0.732,36 1.605,37 1.552,38 5.083,39 8.743,40 137.293,42 2.409,43 0.719,44 1.625,46 3.723,47 10,48 4.428,49 4.729,50 0.144,51 0.035,52 123.269,53 3.853,54 2.951,55 1,56 105.94,58 1.3,59 1.178,60 2.43,61 3.554,62 0.473,63 0.522,64 1.16,65 3.181,66 3.181,67 0.984,68 3.912,69 5,70 5.181,71 5.7}
{0 CHEMBL1968705,3 9.6,4 5.174,5 3.59,6 5.59,7 3.59,9 3.306,11 1.907,12 1.907,13 7.771,14 9.051,15 6.502,16 1.179,17 5.254,18 4.056,19 2.988,21 1.506,22 1,23 0.963,27 19.252,28 94.762,29 0.099,30 12.796,32 8.593,33 14.2,34 2,35 0.669,36 1.976,37 1.977,38 13.468,39 7.338,40 272.463,41 2.283,42 3.295,43 0.636,44 1.975,45 0.042,46 17.806,47 33,48 13.328,49 19.361,50 0.08,51 0.044,52 441.387,53 10.715,54 3.762,56 353.133,58 1.918,59 1.056,60 6.371,61 13.95,62 0.474,63 0.565,64 2.27,65 3.038,66 3.038,67 0.972,68 4.08,69 6,70 5.038,71 5.3}
{0 CHEMBL1968791,3 7.4,4 2.626,5 3.53,6 5.53,7 3.53,9 2.302,11 1.151,12 1.151,13 2.473,14 2.73,15 2.225,16 1.171,17 1.991,18 1.778,19 1.603,21 1.504,23 1.011,27 20.057,28 118.183,29 0.124,30 15.353,32 8.832,33 13.429,34 1,35 0.664,36 1.988,37 2.005,38 13.821,39 6.877,40 219.442,41 1.528,42 3.161,43 0.621,44 1.978,45 0.029,46 22.245,47 33,48 15.478,49 22.296,50 0.088,51 0.053,52 315.549,53 10.782,54 3.654,55 1,56 364.904,58 1.86,59 0.927,60 6.308,61 15.221,62 0.481,63 0.582,64 2.286,65 3.338,66 3.338,67 1.035,68 3.967,69 10,70 5.338,71 5.2}
{0 CHEMBL1968850,3 16.7,4 4.943,5 3.627,6 5.627,7 3.627,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.278,17 1.423,18 1.34,19 1.27,21 1.577,22 1,23 0.988,27 3.833,28 47.381,29 -0.224,30 3.66,32 1.469,33 6.294,34 1,35 0.744,36 1.381,37 1.274,38 3.864,39 10.278,40 135.532,41 1.27,42 1.971,43 0.737,44 1.426,45 0.056,46 3.961,47 7,48 3.694,49 3.556,50 0.191,51 0.129,52 57.486,53 2.701,54 2.692,55 1,56 58.856,57 39.149,58 1.193,59 1.519,60 1.604,61 1.472,62 0.479,63 0.548,64 0.934,65 3.015,66 3.015,67 1.043,68 3.798,69 2,70 5.015,71 5.2}
{0 CHEMBL1968926,3 12.9,4 1.464,5 4.438,6 6.438,7 4.438,9 6.545,11 3.272,12 3.272,13 14.919,14 17.29,15 12.548,16 0.69,17 10.177,18 7.807,19 5.44,21 1.573,23 1.099,27 6.608,28 66.334,29 -0.345,30 4.703,32 3.08,33 9.316,34 1,35 0.733,36 1.536,37 1.42,38 5.34,39 8.657,40 161.617,41 3.11,42 2.695,43 0.69,44 1.586,45 0.156,46 5.26,47 12,48 5.747,49 6.453,50 0.211,52 128.074,53 4.45,54 3.231,56 129.482,57 32.22,58 1.339,59 0.749,60 2.603,61 2.692,62 0.496,63 0.577,64 1.562,65 2.778,66 2.778,67 1.064,68 3.922,69 5,70 4.778,71 5.2}
{0 CHEMBL1969042,3 6.8,4 3.611,5 3.276,6 5.276,7 3.276,9 0.8,11 0.4,12 0.4,16 1.031,17 0.001,18 0.008,19 0.05,21 1.497,22 1,23 1.068,27 9.251,28 113.715,29 0.263,30 7.059,32 4.111,33 9.852,34 2,35 0.698,36 1.945,37 1.957,38 7.753,39 8.168,40 182.45,41 0.278,42 2.732,43 0.679,44 1.939,45 0.013,46 9.449,47 17,48 8.01,49 10.249,50 0.109,51 0.079,52 257.447,53 5.984,54 3.269,56 141.253,58 1.493,59 1.121,60 3.749,61 8.732,62 0.47,63 0.527,64 1.435,65 3.178,66 3.178,67 1.08,68 3.908,69 11,70 5.178,71 5.2}
{0 CHEMBL1969049,3 4.2,4 5.631,5 3.59,6 5.59,7 3.59,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 0.883,17 1.674,18 1.614,19 1.594,21 1.519,23 1.044,27 12.045,28 85.286,29 0.153,30 11.017,32 5.856,33 11.538,35 0.678,36 1.858,37 1.85,38 9.034,39 7.218,40 192.587,41 1.661,42 2.95,43 0.64,44 1.859,45 0.039,46 15.014,47 22,48 10.324,49 13.882,50 0.128,51 0.147,52 287.198,53 7.236,54 3.504,56 247.193,58 1.725,59 0.961,60 4.49,61 8.344,62 0.479,63 0.584,64 1.846,65 3.048,66 3.048,67 1.061,68 3.953,69 16,70 5.048,71 5.2}
{0 CHEMBL1969102,3 11.5,4 5.323,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.056,17 4.156,18 3.244,19 2.415,21 1.528,23 1.028,27 10.953,28 125.404,29 -0.175,30 11.175,32 4.922,33 13.344,34 1,35 0.721,36 1.933,37 1.891,38 9.164,39 8.472,40 269.821,41 1.758,42 3.114,43 0.687,44 1.931,45 0.046,46 12.42,47 20,48 10.965,49 13.446,50 0.099,51 0.079,52 308.79,53 7.474,54 3.682,56 176.567,57 31.278,58 1.574,59 0.969,60 4.226,61 7.423,62 0.486,63 0.564,64 2.156,65 3.204,66 3.204,67 0.965,68 3.973,69 13,70 5.204,71 5.2}
{0 CHEMBL1969126,3 11.6,4 6.496,5 3.395,6 5.395,7 3.395,16 1.017,21 1.571,23 0.862,27 8.013,28 77.644,30 7.254,32 3.904,33 9.25,34 2,35 0.696,36 1.862,37 1.88,38 7.254,39 8.823,40 186.74,42 2.66,43 0.692,44 1.86,46 8.149,47 15,48 7.308,49 8.449,50 0.106,51 0.122,52 131.709,53 6.016,54 3.185,56 206.487,58 1.619,59 0.921,60 3.661,61 8.17,62 0.461,63 0.539,64 1.357,65 3.216,66 3.216,67 0.915,68 4.082,69 3,70 5.216,71 5.2}
{0 CHEMBL1969190,3 8.7,4 5.235,5 3.565,6 5.565,7 3.565,9 2.912,11 1.656,12 1.656,13 6.092,14 7.084,15 5.114,16 0.975,17 4.165,18 3.275,19 2.508,21 1.543,23 0.994,27 7.692,28 118.183,29 -0.158,30 8.199,32 3.833,33 12.6,35 0.687,36 1.88,37 1.867,38 7.684,39 8.922,40 234.068,41 1.985,42 3.073,43 0.689,44 1.887,45 0.05,46 8.855,47 16,48 8.37,49 9.512,50 0.108,51 0.132,52 296.692,53 6.535,54 3.562,55 1,56 171.173,58 1.574,59 1.063,60 3.841,61 6.29,62 0.456,63 0.523,64 2.053,65 3.241,66 3.241,67 1,68 3.962,69 10,70 5.241,71 5.2}
{0 CHEMBL1969264,3 9.5,4 5.364,5 3.631,6 5.631,7 3.631,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 1.1,17 1.422,18 1.338,19 1.255,21 1.597,23 1.11,27 9.893,28 66.334,29 0.109,30 5.912,32 4.699,33 9.333,34 1,35 0.686,36 1.939,37 1.962,38 7.257,39 7.581,40 181.932,41 1.176,42 2.705,43 0.654,44 1.926,45 0.039,46 7.396,47 18,48 9.087,49 12.995,50 0.134,51 0.16,52 129.129,53 6.153,54 3.211,56 188.338,58 1.607,59 0.983,60 3.573,61 7.083,62 0.476,63 0.577,64 1.583,65 3.14,66 3.14,67 1.122,68 3.95,69 3,70 5.14,71 8.2}
{0 CHEMBL1969301,1 9.137,3 7.7,4 6.023,5 4.058,6 6.058,7 4.058,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.472,14 10.869,15 8.078,16 1.124,17 6.695,18 5.333,19 4.029,20 2.063,21 1.612,23 0.94,24 1,25 1,26 1,27 19.311,28 66.334,29 -0.061,30 12.209,31 1,32 8.197,33 12.941,34 1,35 0.659,36 2.002,37 2.008,38 13.219,39 7.04,40 215.608,41 2.902,42 3.125,43 0.621,44 1.995,45 0.055,46 17.701,47 31,48 12.769,49 18.626,50 0.11,51 0.128,52 340.801,53 10.293,54 3.664,55 3,56 353.133,58 1.942,59 1.01,60 5.914,61 13.052,62 0.475,63 0.585,64 2.01,65 3.057,66 3.057,67 1.016,68 3.952,69 7,70 5.057,71 5.2}
{0 CHEMBL1969372,3 13.6,4 5.356,5 3.321,6 5.321,7 3.321,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.367,16 0.981,17 0.47,18 0.597,19 0.763,21 1.504,22 1,23 0.85,27 8.383,28 56.429,29 -0.057,30 6.394,32 4.157,33 10.519,34 1,35 0.682,36 1.905,37 1.841,38 6.646,39 8.282,40 211.783,41 1.029,42 2.834,43 0.668,44 1.926,45 0.029,46 8.621,47 17,48 6.596,49 8.657,50 0.111,51 0.063,52 217.014,53 5.492,54 3.303,55 1,56 203.298,58 1.742,59 1.056,60 3.463,61 7.347,62 0.464,63 0.542,64 1.501,65 3.16,66 3.16,67 0.837,68 3.885,69 2,70 5.16,71 5.2}
{0 CHEMBL1969502,3 9.5,4 5.616,5 3.815,6 5.815,7 3.815,9 3.306,11 1.907,12 1.907,13 7.772,14 9.051,15 6.504,16 0.847,17 5.259,18 4.068,19 3,21 1.595,23 0.988,27 9.992,28 75.381,29 0.163,30 7.6,31 1,32 4.107,33 10.385,34 1,35 0.702,36 1.741,37 1.687,38 8.027,39 8.2,40 182.75,41 2.194,42 2.724,43 0.683,44 1.759,45 0.064,46 9.776,47 16,48 8.365,49 10.451,50 0.127,51 0.054,52 130.878,53 5.954,54 3.329,56 153.024,58 1.55,59 1.035,60 3.471,61 5.554,62 0.472,63 0.532,64 1.586,65 3.26,66 3.26,67 1.036,68 4.054,69 12,70 5.26,71 6}
{0 CHEMBL1969506,3 8.6,4 5.361,5 4.661,6 6.661,7 4.661,9 3.872,11 2.172,12 2.172,13 9.359,14 10.891,15 7.84,16 1.117,17 6.339,18 4.871,19 3.476,21 1.665,22 1,23 1.172,27 12.282,28 121.443,29 -0.03,30 9.085,32 5.751,33 14.743,34 1,35 0.677,36 1.925,37 1.945,38 10.899,39 8.579,40 224.468,41 2.342,42 3.24,43 0.661,44 1.944,45 0.057,46 10.314,47 23,48 11.94,49 15.526,50 0.123,51 0.218,52 227.278,53 8.721,54 3.804,56 223.651,58 1.813,59 0.832,60 5.348,61 9.747,62 0.467,63 0.571,64 2.493,65 3.323,66 3.323,67 1.127,68 4.049,69 4,70 5.323,71 5.2}
{0 CHEMBL1969523,3 9.4,4 4.018,5 3.623,6 5.623,7 3.623,9 1.2,11 0.6,12 0.6,13 0.009,14 0.003,15 0.024,16 0.933,17 0.066,18 0.178,19 0.451,21 1.551,22 1,23 1.263,27 12.7,28 47.381,29 -0.335,30 8.479,31 2,32 6.315,33 11.143,34 1,35 0.652,36 1.921,37 1.866,38 8.508,39 7.161,40 201.39,41 1.015,42 2.91,43 0.619,44 1.92,45 0.02,46 12.887,47 25,48 10.261,49 16.047,50 0.121,51 0.241,52 196.901,53 7.307,54 3.467,55 1,56 258.964,58 1.733,59 0.953,60 4.603,61 7.012,62 0.47,63 0.597,64 1.796,65 3.281,66 3.281,67 1.315,68 3.945,69 6,70 5.281,71 6.5}
{0 CHEMBL1969537,3 21.4,4 1.293,5 3.936,6 5.936,7 3.936,16 0.928,21 1.708,23 0.784,27 5.522,29 -0.705,30 4.204,32 2.029,33 5.95,34 2,35 0.812,36 1.615,37 1.557,38 6.309,39 11.445,40 88.65,42 1.766,43 0.758,44 1.592,46 2.357,47 8,48 6.54,49 4.543,50 0.164,51 0.16,52 22.946,53 4.002,54 2.593,55 4,56 92.263,57 108.405,58 1.198,59 1.779,60 2.539,61 5.888,62 0.52,63 0.636,64 0.67,65 3.244,66 3.244,67 0.841,68 3.872,69 4,70 5.217,71 7.1}
{0 CHEMBL1969561,3 12,4 6.273,5 3.754,6 5.754,7 3.754,9 2.293,11 1.2,12 1.2,13 2.551,14 2.851,15 2.264,16 1.131,17 1.994,18 1.746,19 1.543,21 1.552,23 1.062,27 12.068,28 75.81,29 -0.131,30 7.984,32 5.74,33 9.214,34 2,35 0.672,36 1.926,37 1.939,38 8.505,39 7.49,40 205.747,41 1.487,42 2.683,43 0.641,44 1.92,45 0.039,46 11.626,47 22,48 9.423,49 13.578,50 0.121,51 0.139,52 162.576,53 6.654,54 3.192,55 4,56 247.193,58 1.64,59 1.148,60 4.269,61 9.28,62 0.473,63 0.576,64 1.444,65 3.182,66 3.182,67 1.121,68 4.016,69 5,70 5.182,71 5.2}
{0 CHEMBL1969588,3 10.3,4 2.112,5 3.202,6 5.202,7 3.202,9 1.315,11 0.657,12 0.657,13 0.013,14 0.006,15 0.03,16 0.907,17 0.067,18 0.149,19 0.317,21 1.501,22 1,23 1.02,27 9.057,28 94.334,29 0.063,30 7.145,32 3.728,33 10.042,34 1,35 0.729,36 1.911,37 1.859,38 6.945,39 8.585,40 193.099,41 0.623,42 2.736,43 0.694,44 1.92,45 0.024,46 9.356,47 15,48 6.861,49 9.018,50 0.119,51 0.06,52 211.858,53 4.989,54 3.304,56 153.024,57 39.149,58 1.57,59 1.074,60 2.981,61 5.453,62 0.492,63 0.566,64 1.545,65 3.11,66 3.11,67 1.025,68 3.959,69 8,70 5.11,71 5.8}
{0 CHEMBL1969664,1 9.106,3 9.3,4 4.281,5 4.058,6 6.058,7 4.058,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 1.014,17 6.38,18 4.973,19 3.62,20 2.13,21 1.599,23 1.05,24 1,25 1,26 1,27 10.77,28 47.381,29 0.162,30 7.953,31 1,32 4.579,33 10.76,34 1,35 0.681,36 1.889,37 1.869,38 8.155,39 7.777,40 173.318,41 2.507,42 2.919,43 0.656,44 1.897,45 0.073,46 10.786,47 18,48 9.001,49 12.706,50 0.145,51 0.062,52 223.534,53 6.094,54 3.375,55 1,56 188.338,58 1.548,59 1.034,60 3.711,61 6.088,62 0.471,63 0.548,64 1.728,65 3.192,66 3.192,67 1.045,68 3.934,69 6,70 5.192,71 5.2}
{0 CHEMBL1969735,3 12,4 5.454,5 3.402,6 5.402,7 3.402,9 0.8,11 0.4,12 0.4,16 0.984,17 0.001,18 0.008,19 0.05,21 1.557,22 1,23 1.119,27 11.525,28 99.112,29 -0.065,30 8.256,32 4.95,33 10.733,34 1,35 0.688,36 1.97,37 1.903,38 9.051,39 8.538,40 207.982,41 0.278,42 2.857,43 0.665,44 1.966,45 0.012,46 11.135,47 20,48 10.435,49 14.013,50 0.103,51 0.164,52 248.232,53 6.803,54 3.334,55 1,56 226.84,57 39.149,58 1.772,59 1.196,60 4.091,61 9.425,62 0.474,63 0.574,64 1.551,65 3.168,66 3.168,67 1.169,68 3.901,69 2,70 5.168,71 5.2}
{0 CHEMBL1969755,3 4.4,4 6.428,5 3.624,6 5.624,7 3.624,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.964,17 1.422,18 1.338,19 1.255,21 1.516,23 1.022,27 11.546,28 137.446,29 -0.022,30 9.033,32 4.997,33 11.5,35 0.682,36 1.859,37 1.836,38 9.091,39 7.787,40 176.756,41 1.176,42 2.95,43 0.658,44 1.867,45 0.038,46 11.165,47 19,48 9.595,49 12.156,50 0.129,51 0.078,52 294.007,53 6.737,54 3.493,56 215.069,58 1.763,59 0.885,60 4.166,61 7.749,62 0.471,63 0.542,64 1.885,65 2.997,66 2.997,67 1.036,68 3.952,69 12,70 4.997,71 5.2}
{0 CHEMBL1969843,3 13.2,4 1.891,5 3.038,6 5.038,7 3.038,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.825,17 0.469,18 0.593,19 0.739,21 1.5,23 1.112,27 10.537,28 37.476,29 0.193,30 4.752,32 4.466,33 9.381,34 2,35 0.659,36 1.675,37 1.612,38 7.207,39 7.457,40 141.849,41 0.908,42 2.701,43 0.631,44 1.705,45 0.036,46 7.839,47 17,48 6.609,49 10.54,50 0.127,52 118.01,53 5.502,54 3.236,56 188.338,58 1.513,59 1.339,60 3.355,61 3.792,62 0.468,63 0.557,64 1.601,65 2.974,66 2.974,67 1.125,68 3.981,69 2,70 4.974,71 5.5}
{0 CHEMBL1969879,3 11.6,4 4.776,5 3.735,6 5.735,7 3.735,9 3.579,11 2.035,12 2.035,13 8.56,14 9.966,15 7.166,16 0.813,17 5.792,18 4.458,19 3.221,21 1.548,23 1.084,27 11.881,28 61.207,29 -0.05,30 9.451,32 5.117,33 7.955,34 1,35 0.629,36 1.705,37 1.66,38 7.425,39 7.056,40 119.036,41 2.284,42 2.461,43 0.599,44 1.724,45 0.085,46 14.987,47 21,48 8.679,49 13.722,50 0.156,51 0.164,52 124.694,53 5.547,54 3.018,55 1,56 223.651,58 1.641,59 0.837,60 3.318,61 7.131,62 0.462,63 0.585,64 1.236,65 3.045,66 3.045,67 1.138,68 3.949,70 4.984,71 5.2}
{0 CHEMBL1970074,3 8.5,4 5.167,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.997,17 10.736,18 8.065,19 5.464,21 1.537,23 1.055,27 9.451,28 104.239,29 0.428,30 8.399,32 4.335,33 12.267,34 1,35 0.689,36 1.885,37 1.894,38 8.225,39 8.733,40 216.991,41 3.244,42 2.881,43 0.684,44 1.88,45 0.116,46 9.674,47 17,48 9.456,49 10.852,50 0.135,51 0.123,52 300.446,53 6.978,54 3.55,56 209.676,58 1.72,59 0.949,60 4.072,61 6.849,62 0.46,63 0.528,64 2.049,65 3.19,66 3.19,67 1.052,68 3.982,69 14,70 5.19,71 5.2}
{0 CHEMBL1970083,3 9.3,4 5.937,5 4.461,6 6.461,7 4.461,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 1.082,17 10.736,18 8.065,19 5.464,21 1.55,23 0.989,27 9.657,28 125.832,29 0.288,30 12.433,32 4.181,33 14.919,35 0.722,36 1.975,37 1.965,38 9.904,39 9.695,40 270.812,41 3.244,42 3.264,43 0.718,44 1.972,45 0.093,46 12.066,47 17,48 11.999,49 11.387,50 0.109,51 0.108,52 482.276,53 8.112,54 3.83,56 212.865,57 31.278,58 1.759,59 0.956,60 4.583,61 8.154,62 0.468,63 0.53,64 2.362,65 3.205,66 3.205,67 0.929,68 3.985,69 11,70 5.205,71 5.2}
{0 CHEMBL1970104,3 10,4 1.753,5 3.548,6 5.548,7 3.548,16 0.967,21 1.562,23 1.22,27 10.781,28 66.334,29 -0.458,30 7.203,32 4.787,33 8.636,34 2,35 0.684,36 1.816,37 1.835,38 7.642,39 7.26,40 176.982,42 2.556,43 0.644,44 1.819,46 10.667,47 18,48 8.881,49 13.157,50 0.142,51 0.142,52 103.444,53 6.063,54 3.106,55 1,56 188.338,58 1.603,59 1.043,60 3.484,61 4.564,62 0.482,63 0.588,64 1.397,65 3.327,66 3.327,67 1.268,68 4.043,69 10,70 5.327,71 5.9}
{0 CHEMBL1970142,3 10.8,4 5.396,5 3.741,6 5.741,7 3.741,9 3.416,11 1.953,12 1.953,13 8.196,14 9.487,15 6.928,16 1.082,17 5.693,18 4.513,19 3.423,21 1.559,23 0.967,27 14.461,28 125.404,29 0.029,30 14.385,32 6.799,33 16.553,34 1,35 0.696,36 1.944,37 1.904,38 11.601,39 8.088,40 294.871,41 2.517,42 3.517,43 0.662,44 1.95,45 0.047,46 17.757,47 27,48 13.528,49 16.849,50 0.089,51 0.14,52 377.829,53 9.56,54 3.965,55 1,56 258.964,57 31.278,58 1.857,59 1.16,60 5.526,61 11.193,62 0.482,63 0.578,64 2.711,65 3.208,66 3.208,67 0.917,68 3.984,69 14,70 5.208,71 5.2}
{0 CHEMBL1970189,1 9.396,3 12.9,4 3.396,5 4.156,6 6.156,7 4.156,9 4.525,10 1,11 2.278,12 2.278,13 10.494,14 12.128,15 8.862,16 0.716,17 7.233,18 5.62,19 4.07,20 2.117,21 1.652,23 0.96,24 1,25 1,26 1,27 6.054,28 37.905,29 -0.47,30 5.978,31 1,32 2.568,33 5.95,34 1,35 0.722,36 1.726,37 1.664,38 5.381,39 9.25,40 186.058,41 2.759,42 1.857,43 0.701,44 1.757,45 0.104,46 6.97,47 11,48 6.178,49 7.113,50 0.189,51 0.209,52 96.405,53 4.257,54 2.565,55 1,56 94.169,58 1.253,59 0.535,60 2.35,61 4.826,62 0.482,63 0.57,64 0.77,65 3.276,66 3.276,67 0.989,68 3.862,69 10,70 5.276,71 5.2}
{0 CHEMBL1970203,3 11.8,4 5.667,5 3.621,6 5.621,7 3.621,9 2.912,11 1.656,12 1.656,13 6.1,14 7.087,15 5.132,16 0.949,17 4.204,18 3.348,19 2.617,21 1.555,23 1.117,27 9.878,28 106.88,29 -0.142,30 8.935,32 4.836,33 13.516,35 0.704,36 1.928,37 1.839,38 8.383,39 8.481,40 252.778,41 2.084,42 3.084,43 0.675,44 1.95,45 0.049,46 10.272,47 20,48 10.026,49 12.663,50 0.106,51 0.139,52 323.852,53 7.332,54 3.681,56 176.567,57 31.278,58 1.639,59 1.011,60 4.188,61 7.487,62 0.481,63 0.571,64 2.273,65 3.108,66 3.108,67 1.059,68 3.995,69 6,70 5.108,71 5.2}
{0 CHEMBL1970217,3 4.2,4 5.545,5 3.586,6 5.586,7 3.586,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 0.945,17 1.674,18 1.614,19 1.594,21 1.518,23 1.057,27 12.049,28 85.286,29 0.194,30 10.723,32 5.856,33 11.654,35 0.678,36 1.871,37 1.873,38 9.028,39 7.218,40 192.587,41 1.661,42 2.936,43 0.64,44 1.87,45 0.039,46 14.611,47 22,48 10.076,49 13.615,50 0.128,51 0.147,52 287.029,53 7.236,54 3.504,56 247.193,58 1.721,59 0.954,60 4.49,61 8.016,62 0.479,63 0.584,64 1.911,65 3.006,66 3.006,67 1.086,68 3.954,69 15,70 5.006,71 5.2}
{0 CHEMBL1970314,3 9.1,4 4.623,5 3.549,6 5.549,7 3.549,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.652,17 0.993,18 1.019,19 1.045,21 1.541,23 1.039,27 7.311,28 108.707,29 -0.125,30 5.948,32 3.194,33 7.15,35 0.705,36 1.632,37 1.615,38 5.779,39 7.979,40 189.173,41 1.072,42 2.253,43 0.679,44 1.649,45 0.045,46 7.832,47 13,48 6.165,49 8.126,50 0.161,51 0.119,52 144.768,53 4.478,54 2.87,55 1,56 105.94,58 1.384,59 1.15,60 2.609,61 4.982,62 0.477,63 0.535,64 1.065,65 3.145,66 3.145,67 1.064,68 3.896,69 14,70 5.145,71 5.2}
{0 CHEMBL1970317,3 11.5,4 5.297,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.043,17 4.156,18 3.244,19 2.415,21 1.54,23 0.984,27 9.886,28 125.404,29 -0.072,30 11.152,32 4.664,33 13.909,34 1,35 0.719,36 1.932,37 1.893,38 9.087,39 8.818,40 260.441,41 1.758,42 3.268,43 0.694,44 1.929,45 0.045,46 11.805,47 19,48 10.673,49 12.454,50 0.096,51 0.096,52 319.427,53 7.349,54 3.736,56 191.527,57 31.278,58 1.722,59 1.095,60 4.269,61 8.75,62 0.48,63 0.556,64 2.226,65 3.206,66 3.206,67 0.905,68 3.97,69 11,70 5.206,71 5.2}
{0 CHEMBL1970340,3 7.4,4 3.496,5 3.244,6 5.244,7 3.244,16 0.359,21 1.511,23 0.984,27 5.372,28 99.231,29 0.452,30 4.171,32 2.422,33 5.882,35 0.702,36 1.56,37 1.434,38 4.625,39 8.38,40 134.936,42 1.904,43 0.688,44 1.621,46 5.024,47 10,48 4.751,49 5.632,50 0.171,51 0.092,52 81.571,53 3.769,54 2.645,56 82.398,58 1.169,59 0.644,60 2.252,61 3.07,62 0.469,63 0.525,64 0.858,65 3.199,66 3.199,67 0.997,68 3.851,69 10,70 5.199,71 5.2}
{0 CHEMBL1970369,3 11.9,4 5.62,5 3.728,6 5.728,7 3.728,9 3.272,11 1.886,12 1.886,13 7.643,14 8.897,15 6.405,16 0.828,17 5.198,18 4.057,19 3.042,21 1.578,23 1.103,27 10.625,28 37.905,29 -0.178,30 6.499,32 4.285,33 10.24,34 1,35 0.666,36 1.647,37 1.587,38 8.007,39 8.081,40 170.695,41 2.263,42 2.793,43 0.653,44 1.683,45 0.067,46 8.843,47 17,48 7.845,49 10.506,50 0.133,51 0.093,52 148.464,53 5.928,54 3.37,55 3,56 164.795,58 1.551,59 1.13,60 3.474,61 4.289,62 0.46,63 0.537,64 1.69,65 3.039,66 3.039,67 1.162,68 3.969,69 4,70 5.039,71 5.2}
{0 CHEMBL1970522,3 5.4,4 5.039,5 4.69,6 6.69,7 4.69,9 7.134,11 3.655,12 3.655,13 15.994,14 18.553,15 13.438,16 0.63,17 10.885,18 8.334,19 5.8,21 1.594,23 1.061,27 7.052,28 85.286,29 0.146,30 7.26,31 1,32 3.489,33 10.087,35 0.719,36 1.613,37 1.586,38 6.837,39 8.822,40 149.1,41 3.442,42 2.773,43 0.69,44 1.653,45 0.146,46 7.225,47 14,48 6.546,49 7.08,50 0.188,51 0.105,52 160.774,53 5.371,54 3.329,55 1,56 141.253,57 32.22,58 1.489,59 1.337,60 3.374,61 5.33,62 0.484,63 0.571,64 1.743,65 2.817,66 2.817,67 1.156,68 3.914,69 5,70 4.817,71 7.5}
{0 CHEMBL1970709,3 11.8,4 4.872,5 3.551,6 5.551,7 3.551,9 2.921,11 1.659,12 1.659,13 6.114,14 7.11,15 5.131,16 0.686,17 4.173,18 3.261,19 2.443,21 1.515,23 1.173,27 7.562,28 66.334,29 0.197,30 5.039,32 3.079,33 10.238,34 1,35 0.725,36 1.652,37 1.551,38 6.577,39 10.154,40 164.825,41 1.848,42 2.761,43 0.69,44 1.694,45 0.072,46 6.177,47 13,48 6.494,49 7.689,50 0.154,51 0.155,52 130.452,53 4.543,54 3.338,56 117.711,57 45.954,58 1.464,59 1.042,60 2.638,61 4.212,62 0.513,63 0.602,64 1.583,65 2.889,66 2.889,67 1.128,68 3.946,69 6,70 4.889,71 5.2}
{0 CHEMBL1970735,1 8.934,3 12.9,4 3.907,5 4.087,6 6.087,7 4.087,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.429,14 10.824,15 8.039,16 0.711,17 6.658,18 5.295,19 3.982,20 1.928,21 1.615,23 0.836,24 1,25 1,26 1,27 5.504,28 42.373,29 -0.269,30 3.045,31 1,32 3.241,33 7.059,35 0.637,36 1.7,37 1.699,38 3.56,39 7.558,40 167.398,41 2.822,42 2.257,43 0.618,44 1.706,45 0.12,46 4.641,47 14,48 3.953,49 5.884,50 0.24,51 0.275,52 60.335,53 3.778,54 2.832,55 3,56 129.482,58 1.345,59 0.987,60 2.312,61 3.511,62 0.457,63 0.575,64 1.017,65 2.917,66 2.917,67 0.909,68 3.661,70 4.863,71 5.2}
{0 CHEMBL1970806,3 13.9,4 5.346,5 3.74,6 5.74,7 3.74,9 2.86,11 1.629,12 1.629,13 5.892,14 6.852,15 4.946,16 0.91,17 4.023,18 3.143,19 2.344,21 1.594,23 0.938,27 9.375,28 18.952,29 -0.337,30 5.045,32 3.35,33 8.391,34 1,35 0.727,36 1.838,37 1.68,38 8.278,39 8.984,40 137.983,41 1.701,42 2.525,43 0.698,44 1.871,45 0.06,46 5.34,47 13,48 7.474,49 8.119,50 0.139,51 0.03,52 128.377,53 5.597,54 3.057,55 3,56 141.253,57 31.278,58 1.427,59 1.294,60 3.05,61 4.926,62 0.486,63 0.568,64 1.278,65 3.205,66 3.205,67 1.08,68 3.921,69 6,70 5.205,71 5.2}
{0 CHEMBL1970879,3 10.6,4 6.336,5 3.67,6 5.67,7 3.67,9 3.348,11 1.94,12 1.94,13 7.978,14 9.292,15 6.675,16 1.153,17 5.4,18 4.192,19 3.157,21 1.576,23 0.962,27 23.28,28 108.707,29 -0.028,30 20.379,32 10.019,33 17.304,34 2,35 0.657,36 2.022,37 2.003,38 15.982,39 7.316,40 279.602,41 2.515,42 3.537,43 0.626,44 2.021,45 0.037,46 30.386,47 39,48 19.123,49 27.59,50 0.071,51 0.119,52 727.312,53 12.018,54 4.019,55 2,56 423.76,58 1.94,59 1.033,60 7.221,61 16.641,62 0.47,63 0.575,64 3.07,65 3.227,66 3.227,67 0.975,68 4.154,69 9,70 5.227,71 5.2}
{0 CHEMBL1970903,3 9.4,4 2.471,5 3.164,6 5.164,7 3.164,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 1.071,17 0.469,18 0.593,19 0.739,21 1.525,23 1.072,27 13.486,28 84.857,29 -0.012,30 10.186,32 5.951,33 12.733,34 2,35 0.686,36 1.905,37 1.893,38 9.928,39 7.5,40 245.69,41 0.908,42 3.07,43 0.652,44 1.907,45 0.025,46 14.291,47 23,48 11.001,49 15.287,50 0.093,51 0.063,52 261.777,53 7.775,54 3.63,56 223.651,58 1.816,59 0.956,60 4.55,61 8.967,62 0.478,63 0.557,64 1.969,65 3.059,66 3.059,67 1.073,68 4.14,69 12,70 5.059,71 5.2}
{0 CHEMBL1970913,3 9.8,4 5.136,5 3.729,6 5.729,7 3.729,9 3.306,11 1.907,12 1.907,13 8.399,14 9.669,15 7.14,16 1.026,17 5.898,18 4.689,19 3.545,21 1.57,23 0.775,27 9.313,28 47.381,29 -0.051,30 5.244,32 4.673,33 8.435,34 1,35 0.665,36 1.856,37 1.865,38 6.56,39 7.57,40 146.614,41 2.548,42 2.512,43 0.639,44 1.856,45 0.076,46 7.315,47 18,48 5.509,49 7.773,50 0.149,51 0.155,52 94.892,53 5.913,54 3.06,55 2,56 200.109,58 1.65,59 1.21,60 3.551,61 6.13,62 0.468,63 0.572,64 1.285,65 3.157,66 3.157,67 0.827,68 3.851,69 5,70 5.157,71 5.2}
{0 CHEMBL1971017,3 7.1,4 5.294,5 3.52,6 5.52,7 3.52,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.685,17 0.993,18 1.019,19 1.045,21 1.558,23 1.066,27 5.088,28 47.381,29 -0.117,30 4.957,32 2.227,33 7.105,35 0.753,36 1.68,37 1.538,38 5.586,39 9.726,40 140.033,41 1.072,42 2.249,43 0.73,44 1.696,45 0.047,46 5.297,47 9,48 5.318,49 5.37,50 0.168,51 0.11,52 96.311,53 3.98,54 2.885,56 97.358,57 31.278,58 1.193,59 1.076,60 2.307,61 4.105,62 0.487,63 0.557,64 1.08,65 3.097,66 3.097,67 1.215,68 3.859,69 7,70 5.097,71 5.4}
{0 CHEMBL1971021,3 5.8,4 5.905,5 4.471,6 6.471,7 4.471,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 1.016,17 10.736,18 8.067,19 5.476,21 1.569,23 1.139,27 11.712,28 85.286,29 0.061,30 10.401,32 5.201,33 11.813,35 0.68,36 1.876,37 1.878,38 10.115,39 8.451,40 203.627,41 3.347,42 2.945,43 0.671,44 1.876,45 0.109,46 11.435,47 20,48 11.668,49 13.827,50 0.128,51 0.171,52 317.988,53 8.269,54 3.497,56 244.989,58 1.639,59 0.77,60 4.734,61 8.437,62 0.46,63 0.542,64 1.887,65 3.263,66 3.263,67 1.154,68 3.981,69 17,70 5.263,71 5.2}
{0 CHEMBL1971029,3 10.8,4 5.444,5 4.704,6 6.704,7 4.704,9 3.348,11 1.94,12 1.94,13 7.976,14 9.292,15 6.67,16 1.05,17 5.385,18 4.149,19 3.049,21 1.545,22 2,23 0.969,27 14.72,28 88.546,29 -0.058,30 14.593,32 6.857,33 13.973,34 2,35 0.681,36 1.931,37 1.892,38 12.099,39 9.086,40 231.206,41 2.377,42 3.221,43 0.646,44 1.943,45 0.049,46 19.48,47 28,48 14.543,49 17.271,50 0.118,51 0.209,52 512.146,53 9.608,54 3.74,56 294.278,57 45.954,58 1.714,59 1.04,60 5.799,61 11.886,62 0.495,63 0.623,64 2.137,65 3.114,66 3.114,67 1.084,68 4.009,69 2,70 5.114,71 5.7}
{0 CHEMBL1971141,3 6.7,4 5.094,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.094,14 7.085,15 5.121,16 0.966,17 4.182,18 3.31,19 2.567,21 1.533,23 1.121,27 10.424,28 113.715,29 -0.276,30 7.733,32 4.806,33 11.846,35 0.689,36 1.89,37 1.893,38 8.064,39 7.676,40 218.695,41 2.044,42 2.969,43 0.66,44 1.889,45 0.059,46 10.183,47 19,48 8.723,49 11.785,50 0.127,51 0.127,52 287.045,53 6.471,54 3.548,56 176.567,58 1.56,59 0.994,60 3.791,61 5.806,62 0.476,63 0.551,64 2.024,65 2.948,66 2.948,67 1.121,68 3.954,69 16,70 4.948,71 5.2}
{0 CHEMBL1971149,3 11.5,4 6.662,5 3.982,6 5.982,7 3.982,9 3.925,11 2.341,12 2.341,13 10.216,14 11.912,15 8.526,16 1.026,17 6.849,18 5.201,19 3.63,21 1.579,22 1,23 1.094,27 10.423,28 46.952,29 -0.047,30 8.907,32 4.965,33 10.875,34 1,35 0.671,36 1.96,37 1.944,38 8.89,39 8.432,40 217.047,41 2.291,42 2.871,43 0.664,44 1.964,45 0.067,46 11.75,47 20,48 9.324,49 11.585,50 0.114,51 0.187,52 268.303,53 7.092,54 3.353,55 1,56 241.8,58 1.805,59 1.175,60 4.313,61 9.69,62 0.457,63 0.55,64 1.578,65 3.32,66 3.32,67 1.186,68 3.901,69 1,70 5.32,71 5.2}
{0 CHEMBL1971186,3 12.8,4 5.368,5 3.328,6 5.328,7 3.328,9 0.8,11 0.4,12 0.4,16 0.91,17 0.003,18 0.016,19 0.097,21 1.515,22 1,23 0.898,27 11.635,28 86.179,29 0.06,30 6.875,32 4.737,33 10.607,34 1,35 0.676,36 1.901,37 1.845,38 8.512,39 8.052,40 200.615,41 0.495,42 2.856,43 0.658,44 1.915,45 0.013,46 9.601,47 19,48 7.842,49 11.039,50 0.104,51 0.022,52 236.896,53 6.542,54 3.354,55 1,56 215.069,58 1.598,59 1.036,60 3.812,61 7.907,62 0.465,63 0.539,64 1.536,65 3.167,66 3.167,67 0.918,68 3.943,69 2,70 5.167,71 5.2}
{0 CHEMBL1971245,3 14.3,4 5.028,5 3.578,6 5.578,7 3.578,9 1.96,11 0.98,12 0.98,13 0.994,14 0.952,15 1.046,16 1.051,17 1.111,18 1.199,19 1.339,21 1.522,22 1,23 0.971,27 13.329,28 84.857,29 0.08,30 10.243,32 5.871,33 12.531,34 2,35 0.671,36 1.935,37 1.915,38 9.262,39 7.653,40 241.626,41 1.641,42 3.028,43 0.645,44 1.946,45 0.027,46 15.215,47 24,48 10.915,49 16.011,50 0.099,51 0.082,52 381.615,53 6.904,54 3.578,55 2,56 247.193,58 1.822,59 0.755,60 4.228,61 9.076,62 0.47,63 0.555,64 1.873,65 3.147,66 3.147,67 0.958,68 4.016,69 1,70 5.147,71 5.2}
{0 CHEMBL1971430,3 8.5,4 6.467,5 3.812,6 5.812,7 3.812,9 2.522,11 1.399,12 1.399,13 4.142,14 4.769,15 3.544,16 1.014,17 2.993,18 2.512,19 2.131,21 1.52,23 1.054,27 15.635,28 122.249,29 -0.068,30 11.601,31 1,32 7.007,33 11.844,35 0.676,36 1.947,37 1.944,38 11.064,39 7.213,40 257.087,41 1.899,42 2.93,43 0.638,44 1.939,45 0.04,46 16.301,47 27,48 11.663,49 16.859,50 0.109,51 0.113,52 451.329,53 8.539,54 3.497,55 1,56 282.506,58 1.829,59 1.061,60 5.103,61 13.13,62 0.479,63 0.573,64 1.738,65 3.23,66 3.23,67 1.113,68 3.957,69 15,70 5.23,71 5.2}
{0 CHEMBL1971463,3 2.9,4 4.913,5 4.207,6 6.207,7 4.207,9 5.225,11 2.612,12 2.612,13 12.217,14 14.137,15 10.296,16 0.672,17 8.376,18 6.46,19 4.572,21 1.611,23 1.065,27 6.783,28 85.286,29 -0.202,30 6.014,31 1,32 3.087,33 9.773,35 0.744,36 1.605,37 1.602,38 6.357,39 10.535,40 143.372,41 2.883,42 2.686,43 0.716,44 1.618,45 0.109,46 6.865,47 12,48 6.476,49 6.847,50 0.175,51 0.193,52 137.792,53 4.881,54 3.248,56 141.253,57 45.954,58 1.497,59 1.131,60 2.847,61 4.478,62 0.511,63 0.606,64 1.409,65 3.093,66 3.093,67 1.083,68 3.898,69 13,70 5.093,71 5.4}
{0 CHEMBL1971649,3 10.6,4 5.794,5 3.575,6 5.575,7 3.575,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.998,17 4.156,18 3.244,19 2.415,21 1.54,23 1.036,27 9.554,28 118.183,29 -0.127,30 8.106,32 4.422,33 12.552,35 0.697,36 1.945,37 1.931,38 7.871,39 8.244,40 250.208,41 1.758,42 3.095,43 0.679,44 1.945,45 0.052,46 10.325,47 18,48 8.824,49 11.047,50 0.112,51 0.112,52 367.434,53 6.329,54 3.596,56 179.756,58 1.558,59 1.067,60 3.747,61 6.103,62 0.47,63 0.538,64 2.081,65 3.112,66 3.112,67 1.052,68 3.976,69 9,70 5.112,71 5.2}
{0 CHEMBL1971694,3 11.8,4 4.802,5 3.113,6 5.113,7 3.113,9 0.8,11 0.4,12 0.4,16 0.773,17 0.003,18 0.016,19 0.097,21 1.465,22 2,23 0.887,27 7.698,28 55.644,29 -0.226,30 4.939,32 3.663,33 9,34 1,35 0.666,36 1.644,37 1.628,38 5.548,39 8.305,40 136.412,41 0.495,42 2.695,43 0.633,44 1.646,45 0.02,46 6.273,47 15,48 5.47,49 7.161,50 0.156,51 0.124,52 62.42,53 5.016,54 3.165,56 167.984,57 17.739,58 1.382,59 1.291,60 2.865,61 4.758,62 0.476,63 0.597,64 1.368,65 2.818,66 2.818,67 0.85,68 3.871,69 2,70 4.818,71 5.2}
{0 CHEMBL1971801,3 16.7,4 4.849,5 3.62,6 5.62,7 3.62,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.278,17 1.423,18 1.34,19 1.27,21 1.545,22 1,23 0.959,27 4.311,28 47.381,29 -0.209,30 3.373,32 1.826,33 5.75,34 1,35 0.708,36 1.39,37 1.287,38 3.737,39 8.843,40 141.508,41 1.27,42 1.805,43 0.702,44 1.435,45 0.059,46 4.059,47 8,48 3.461,49 3.969,50 0.201,51 0.045,52 51.96,53 2.827,54 2.594,55 1,56 70.627,58 1.228,59 1.079,60 1.705,61 1.339,62 0.465,63 0.517,64 0.781,65 3.01,66 3.01,67 1.042,68 3.799,69 1,70 5.01,71 5.2}
{0 CHEMBL1971943,3 14.6,4 6.573,5 3.495,6 5.495,7 3.495,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.367,16 0.775,17 0.47,18 0.597,19 0.763,21 1.545,22 1,23 0.965,27 5.567,28 79.85,29 -0.055,30 7.071,32 2.831,33 10.464,34 2,35 0.708,36 1.843,37 1.752,38 6.205,39 9.825,40 229.133,41 1.029,42 2.691,43 0.709,44 1.871,45 0.028,46 6.605,47 13,48 6.658,49 6.98,50 0.113,51 0.168,52 264.681,53 5.292,54 3.322,55 1,56 135.86,57 39.149,58 1.738,59 1.041,60 3.045,61 6.431,62 0.465,63 0.542,64 1.969,65 3.072,66 3.072,67 0.995,68 3.981,69 1,70 5.072,71 5.2}
{0 CHEMBL1971947,3 8.9,4 5.366,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.015,17 4.156,18 3.244,19 2.415,20 6.333,21 1.52,23 1.005,24 2,25 1,26 2,27 11.423,28 135.309,29 -0.194,30 10.768,32 5.201,33 15.257,35 0.736,36 1.968,37 1.957,38 9.611,39 8.493,40 306.294,41 1.758,42 3.386,43 0.7,44 1.964,45 0.042,46 11.992,47 21,48 11.099,49 13.648,50 0.091,51 0.072,52 462.001,53 7.762,54 3.864,56 200.109,57 31.278,58 1.844,59 1.109,60 4.452,61 8.983,62 0.49,63 0.563,64 2.622,65 3.176,66 3.176,67 0.954,68 3.968,69 16,70 5.176,71 5.2}
{0 CHEMBL1972119,3 10.4,4 5.457,5 4.47,6 6.47,7 4.47,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.918,17 10.736,18 8.066,19 5.471,21 1.524,23 0.929,27 9.819,28 66.334,29 -0.157,30 8.491,32 4.441,33 11.933,35 0.663,36 1.847,37 1.831,38 7.947,39 8.696,40 188.845,41 3.335,42 2.949,43 0.665,44 1.856,45 0.116,46 10.057,47 18,48 8.588,49 10.477,50 0.135,51 0.088,52 350.796,53 6.795,54 3.537,55 1,56 233.218,58 1.64,59 0.751,60 4.059,61 6.576,62 0.451,63 0.525,64 1.747,65 3.155,66 3.155,67 0.931,68 3.977,69 3,70 5.155,71 7.3}
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{0 CHEMBL1972142,3 7.1,4 5.441,5 3.564,6 5.564,7 3.564,9 2.162,11 1.081,12 1.081,13 1.807,14 1.939,15 1.679,16 0.952,17 1.555,18 1.438,19 1.343,21 1.527,23 1.105,27 10.49,28 113.286,29 -0.03,30 7.272,32 4.417,33 10.88,34 1,35 0.71,36 1.876,37 1.854,38 7.927,39 7.795,40 197.756,41 1.331,42 2.923,43 0.678,44 1.885,45 0.039,46 9.721,47 17,48 7.715,49 9.998,50 0.127,51 0.028,52 230.821,53 5.781,54 3.44,56 176.567,58 1.639,59 1.085,60 3.481,61 6.058,62 0.481,63 0.543,64 1.814,65 2.995,66 2.995,67 1.161,68 3.968,69 12,70 4.995,71 5.2}
{0 CHEMBL1972158,3 13,4 2.02,5 3.293,6 5.293,7 3.293,9 1.043,11 0.522,12 0.522,13 0.001,15 0.003,16 1.071,17 0.011,18 0.039,19 0.138,21 1.514,23 1.053,27 10.5,28 156.088,29 0.249,30 7.065,32 4.616,33 9.286,34 2,35 0.709,36 1.962,37 1.981,38 7.809,39 7.967,40 248.615,41 0.434,42 2.706,43 0.68,44 1.946,45 0.016,46 9.494,47 18,48 7.795,49 10.617,50 0.103,51 0.03,52 236.041,53 6.075,54 3.214,56 176.567,58 1.574,59 1.173,60 3.634,61 8.795,62 0.479,63 0.539,64 1.52,65 3.17,66 3.17,67 1.112,68 4.036,69 9,70 5.17,71 6.3}
{0 CHEMBL1972183,3 4.3,4 2.449,5 3.119,6 5.119,7 3.119,9 1.72,11 0.86,12 0.86,13 0.334,14 0.252,15 0.438,16 1.092,17 0.57,18 0.732,19 0.938,21 1.46,23 1.138,27 13.994,28 56.857,29 0.017,30 8.354,32 6.376,33 10.273,35 0.649,36 1.834,37 1.869,38 9.751,39 6.445,40 131.709,41 1.235,42 2.754,43 0.599,44 1.825,45 0.036,46 12.091,47 24,48 10.046,49 14.477,50 0.13,51 0.047,52 152.855,53 7.275,54 3.346,56 282.506,58 1.811,59 0.82,60 4.535,61 7.166,62 0.483,63 0.602,64 1.818,65 2.67,66 2.67,67 1.123,68 3.932,69 9,70 4.67,71 5.2}
{0 CHEMBL1972221,3 8.2,4 4.866,5 4.458,6 6.458,7 4.458,9 3.306,11 1.907,12 1.907,13 7.771,14 9.051,15 6.501,16 1.027,17 5.25,18 4.037,19 2.904,21 1.554,23 0.918,27 12.22,28 72.141,29 -0.066,30 9.18,32 5.721,33 12.185,34 1,35 0.671,36 1.867,37 1.885,38 9.801,39 7.888,40 178.572,41 1.953,42 3.087,43 0.636,44 1.855,45 0.066,46 11.613,47 22,48 9.699,49 11.825,50 0.154,51 0.155,52 164.946,53 8.229,54 3.54,55 1,56 223.651,58 1.854,59 1.035,60 4.74,61 7.738,62 0.479,63 0.595,64 1.97,65 3.065,66 3.065,67 0.921,68 4,69 12,70 5.065,71 5.2}
{0 CHEMBL1972250,1 8.869,3 11.1,4 2.869,5 4.057,6 6.057,7 4.057,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.847,17 6.379,18 4.969,19 3.606,20 4.682,21 1.63,23 1.042,24 3,25 2,26 2,27 6.232,28 37.905,29 0.076,30 6.518,31 1,32 2.976,33 9.917,34 1,35 0.737,36 1.642,37 1.643,38 5.44,39 8.676,40 227.936,41 2.458,42 2.757,43 0.72,44 1.654,45 0.075,46 8.091,47 12,48 6.08,49 6.975,50 0.15,51 0.122,52 117.334,53 4.608,54 3.284,55 1,56 129.482,58 1.565,59 0.867,60 2.696,61 4.67,62 0.476,63 0.538,64 1.59,65 3.286,66 3.286,67 1.117,68 3.903,69 11,70 5.286,71 5.2}
{0 CHEMBL1972258,3 8.3,4 2.053,5 2.928,6 4.928,7 2.928,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.909,17 0.469,18 0.593,19 0.739,21 1.402,23 0.981,27 8.745,28 47.381,29 0.03,30 5.138,32 4.288,33 9.895,35 0.661,36 1.837,37 1.848,38 6.222,39 7.093,40 170.886,41 0.908,42 2.76,43 0.624,44 1.82,45 0.043,46 7.325,47 17,48 5.812,49 8.329,50 0.146,51 0.044,52 133.418,53 4.881,54 3.312,56 176.567,58 1.453,59 0.922,60 3.14,61 4.675,62 0.475,63 0.563,64 1.69,65 2.641,66 2.641,67 0.973,68 3.856,69 4,70 4.588,71 5.2}
{0 CHEMBL1972276,3 11.3,4 4.592,5 3.546,6 5.546,7 3.546,9 1.96,11 0.98,12 0.98,13 0.969,14 0.935,15 1.007,16 1.053,17 1.054,18 1.114,19 1.211,21 1.489,22 1,23 0.867,27 13.245,28 56.857,29 0.077,30 9.95,32 6.426,33 11.852,34 1,35 0.643,36 1.943,37 1.932,38 8.342,39 6.915,40 209.445,41 1.435,42 2.954,43 0.606,44 1.936,45 0.034,46 15.56,47 26,48 8.938,49 14.067,50 0.122,51 0.136,52 169.274,53 6.953,54 3.53,55 1,56 258.964,58 1.784,59 1.093,60 4.261,61 7.227,62 0.472,63 0.586,64 2.016,65 3.091,66 3.091,67 0.877,68 3.914,69 1,70 5.091,71 5.2}
{0 CHEMBL1972362,3 5.9,4 4.509,5 5.18,6 7.18,7 5.18,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.78,17 9.348,18 7.186,19 5.039,21 1.658,23 1.047,27 6.486,28 53.427,29 -0.077,30 7.245,32 3.091,33 8.682,35 0.749,36 1.681,37 1.576,38 7.538,39 9.777,40 139.653,41 3.012,42 2.495,43 0.712,44 1.696,45 0.123,46 8.147,47 12,48 7.405,49 7.188,50 0.216,51 0.173,52 122.122,53 6.117,54 3.099,56 117.711,57 31.278,58 1.537,59 0.896,60 3.493,61 5.204,62 0.498,63 0.602,64 1.409,65 3.098,66 3.098,67 1.124,68 3.978,69 8,70 5.098,71 5.5}
{0 CHEMBL1972489,3 10.3,4 5.017,5 3.573,6 5.573,7 3.573,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.503,17 1.422,18 1.338,19 1.255,21 1.546,23 1.126,27 5.701,28 75.381,29 0.179,30 3.981,32 2.373,33 8.632,34 1,35 0.737,36 1.655,37 1.531,38 4.996,39 9.37,40 145.583,41 1.176,42 2.55,43 0.714,44 1.7,45 0.05,46 4.432,47 10,48 4.7,49 5.222,50 0.17,51 0.113,52 108.164,53 3.547,54 3.123,56 94.169,58 1.272,59 0.854,60 2.134,61 3.388,62 0.487,63 0.558,64 1.335,65 2.907,66 2.907,67 1.149,68 3.933,69 5,70 4.907,71 5.2}
{0 CHEMBL1972568,3 7.1,4 1.6,5 2.892,6 4.892,7 2.892,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.581,17 0.469,18 0.593,19 0.739,21 1.437,23 1.142,27 5.743,28 47.381,29 0.063,30 3.992,32 3.094,33 7.875,35 0.688,36 1.549,37 1.579,38 4.371,39 7.581,40 139.64,41 0.908,42 2.453,43 0.657,44 1.535,45 0.051,46 5.569,47 12,48 4.559,49 6.322,50 0.17,51 0.066,52 106.461,53 3.602,54 3.025,56 141.253,58 1.417,59 0.811,60 2.444,61 3.228,62 0.477,63 0.562,64 1.156,65 2.639,66 2.639,67 1.126,68 3.85,69 4,70 4.586,71 5.2}
{0 CHEMBL1972576,3 12.5,4 5.636,5 3.621,6 5.621,7 3.621,9 2.912,11 1.656,12 1.656,13 6.1,14 7.087,15 5.132,16 0.949,17 4.204,18 3.348,19 2.617,21 1.551,23 1.065,27 8.908,28 116.356,29 0.205,30 8.689,32 4.243,33 13.967,35 0.712,36 1.928,37 1.839,38 7.816,39 8.719,40 250.243,41 2.084,42 3.244,43 0.686,44 1.948,45 0.05,46 9.993,47 18,48 8.931,49 10.745,50 0.11,51 0.109,52 313.012,53 6.673,54 3.724,56 153.024,57 31.278,58 1.566,59 1.05,60 3.844,61 7.464,62 0.48,63 0.56,64 2.307,65 3.108,66 3.108,67 1.008,68 3.981,69 6,70 5.108,71 5.2}
{0 CHEMBL1972584,3 11.1,4 6.123,5 3.67,6 5.67,7 3.67,9 3.348,11 1.94,12 1.94,13 7.977,14 9.292,15 6.674,16 1.153,17 5.397,18 4.18,19 3.11,21 1.574,23 0.965,27 22.823,28 118.183,29 -0.093,30 19.287,32 9.578,33 17.341,34 2,35 0.662,36 2.024,37 2.021,38 15.58,39 7.306,40 272.952,41 2.388,42 3.519,43 0.63,44 2.021,45 0.039,46 28.704,47 37,48 18.417,49 26.738,50 0.073,51 0.1,52 693.538,53 11.539,54 4.016,55 2,56 400.217,58 1.94,59 1.023,60 6.842,61 15.5,62 0.472,63 0.571,64 3.175,65 3.222,66 3.222,67 0.968,68 4.154,69 10,70 5.222,71 5.2}
{0 CHEMBL1972659,3 4.1,4 5.474,5 3.623,6 5.623,7 3.623,9 3.473,11 1.969,12 1.969,13 8.167,14 9.505,15 6.84,16 0.985,17 5.533,18 4.267,19 3.096,21 1.54,23 1.001,27 13.714,28 85.286,29 -0.157,30 10.666,31 1,32 6.015,33 11.111,35 0.684,36 1.762,37 1.782,38 10.253,39 7.316,40 164.15,41 2.183,42 2.82,43 0.648,44 1.772,45 0.066,46 14.778,47 22,48 10.565,49 14.295,50 0.121,51 0.09,52 270.95,53 8.014,54 3.425,56 235.422,58 1.725,59 0.794,60 4.681,61 6.824,62 0.48,63 0.568,64 1.523,65 3.141,66 3.141,67 1.011,68 4.041,69 25,70 5.141,71 5.2}
{0 CHEMBL1972820,3 3.3,4 5.245,5 3.982,6 5.982,7 3.982,9 2.873,11 1.437,12 1.437,13 5.305,14 5.99,15 4.632,16 0.392,17 3.977,18 3.353,19 2.78,21 1.663,23 0.965,27 4.882,28 66.334,29 -0.061,30 4.885,32 2.087,33 7.905,35 0.711,36 1.521,37 1.367,38 5.288,39 9.442,40 92.091,41 2.295,42 2.439,43 0.723,44 1.599,45 0.062,46 3.563,47 9,48 5.388,49 4.768,50 0.173,51 0.174,52 115.058,53 3.938,54 2.974,55 1,56 82.398,58 1.157,59 1.061,60 2.537,61 3.423,62 0.456,63 0.505,64 1.166,65 3.299,66 3.299,67 1.113,68 3.886,69 4,70 5.299,71 5.2}
{0 CHEMBL1972840,3 8.2,4 2.459,5 3.163,6 5.163,7 3.163,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 1.045,17 0.469,18 0.593,19 0.739,21 1.515,23 1.055,27 12.533,28 75.381,29 -0.04,30 9.189,32 5.191,33 12.621,34 1,35 0.719,36 1.946,37 1.905,38 10.402,39 8.174,40 222.96,41 0.908,42 3.069,43 0.678,44 1.943,45 0.026,46 11.88,47 20,48 11.284,49 13.769,50 0.096,51 0.028,52 258.902,53 7.538,54 3.63,56 200.109,57 31.278,58 1.852,59 1.004,60 4.308,61 9.363,62 0.492,63 0.57,64 1.936,65 3.03,66 3.03,67 1.059,68 4.087,69 9,70 5.03,71 5.2}
{0 CHEMBL1972849,3 13,4 6.543,5 3.665,6 5.665,7 3.665,16 0.961,21 1.583,23 1.09,27 8.622,28 110.851,29 -0.006,30 6.664,32 3.994,33 10,34 2,35 0.682,36 1.882,37 1.868,38 7.813,39 8.922,40 192.763,42 2.689,43 0.684,44 1.877,46 7.757,47 16,48 7.73,49 9.451,50 0.108,51 0.14,52 143.809,53 6.33,54 3.272,55 2,56 206.487,58 1.615,59 0.882,60 3.859,61 8.318,62 0.455,63 0.535,64 1.333,65 3.368,66 3.368,67 1.21,68 4.087,69 1,70 5.368,71 5.2}
{0 CHEMBL1972937,3 5.6,4 5.021,5 4.69,6 6.69,7 4.69,9 7.134,11 3.655,12 3.655,13 15.994,14 18.553,15 13.438,16 0.644,17 10.885,18 8.334,19 5.8,21 1.593,23 1.052,27 7.229,28 94.762,29 0.161,30 6.942,31 1,32 3.614,33 9.955,35 0.726,36 1.614,37 1.587,38 6.712,39 8.622,40 158.576,41 3.442,42 2.754,43 0.689,44 1.651,45 0.152,46 7.242,47 14,48 6.22,49 7.222,50 0.195,51 0.077,52 152.095,53 5.257,54 3.309,55 1,56 153.024,57 32.22,58 1.503,59 1.193,60 3.23,61 5.248,62 0.491,63 0.58,64 1.69,65 2.782,66 2.782,67 1.139,68 3.914,69 6,70 4.782,71 7.2}
{0 CHEMBL1973142,3 7.7,4 4.374,5 3.653,6 5.653,7 3.653,9 3.306,11 1.907,12 1.907,13 7.772,14 9.051,15 6.504,16 0.65,17 5.259,18 4.068,19 3,21 1.646,23 0.788,27 3.419,28 18.952,29 -0.233,30 4.199,32 1.689,33 5.833,35 0.782,36 1.623,37 1.521,38 4.946,39 11.661,40 102.53,41 2.194,42 1.907,43 0.747,44 1.641,45 0.1,46 3.255,47 8,48 5.506,49 4.764,50 0.192,51 0.325,52 43.879,53 3.713,54 2.58,56 58.856,57 31.278,58 1.23,59 0.959,60 1.924,61 4.385,62 0.513,63 0.641,64 0.87,65 3.099,66 3.099,67 0.91,68 3.624,69 6,70 5.099,71 5.4}
{0 CHEMBL1973145,3 13,4 5.193,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.871,17 4.156,18 3.244,19 2.415,21 1.535,23 1.009,27 8.995,28 149.253,29 -0.278,30 9.139,32 4.263,33 12.429,35 0.711,36 1.895,37 1.785,38 7.483,39 8.489,40 254.134,41 1.758,42 3.098,43 0.678,44 1.916,45 0.053,46 10.048,47 18,48 8.897,49 11.364,50 0.115,51 0.12,52 273.301,53 6.66,54 3.569,56 141.253,57 31.278,58 1.56,59 1.03,60 3.684,61 5.53,62 0.485,63 0.567,64 2.041,65 3.125,66 3.125,67 0.926,68 3.967,69 10,70 5.125,71 5.2}
{0 CHEMBL1973211,3 8.1,4 5.373,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.096,14 7.085,15 5.124,16 1.131,17 4.186,18 3.315,19 2.573,20 6.613,21 1.531,23 1.016,24 2,25 1,26 2,27 16.171,28 116.356,29 -0.193,30 12.106,32 7.023,33 15.314,35 0.702,36 1.931,37 1.89,38 12.358,39 7.769,40 263.786,41 2.072,42 3.386,43 0.658,44 1.929,45 0.042,46 14.919,47 27,48 13.668,49 18.144,50 0.091,51 0.072,52 347.744,53 9.747,54 3.867,56 270.735,57 31.278,58 1.86,59 1.191,60 5.481,61 9.509,62 0.49,63 0.583,64 2.684,65 3.176,66 3.176,67 0.955,68 3.968,69 13,70 5.176,71 5.2}
{0 CHEMBL1973348,3 6.6,4 6.064,5 3.613,6 5.613,7 3.613,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 1.073,17 0.469,18 0.593,19 0.739,21 1.543,23 1.058,27 15.588,28 155.66,29 0.027,30 12.53,32 6.367,33 14.833,34 1,35 0.708,36 1.965,37 1.961,38 12.24,39 8.148,40 284.629,41 0.908,42 3.274,43 0.674,44 1.962,45 0.022,46 16.042,47 25,48 13.378,49 17.115,50 0.09,51 0.106,52 481.714,53 8.937,54 3.842,56 235.422,58 1.886,59 1.039,60 5.133,61 12.559,62 0.486,63 0.561,64 2.352,65 3.137,66 3.137,67 1.076,68 4.051,69 18,70 5.137,71 5.2}
{0 CHEMBL1973395,3 10,4 3.714,5 3.36,6 5.36,7 3.36,9 1.2,11 0.8,12 0.8,13 0.066,14 0.043,15 0.102,16 0.881,17 0.156,18 0.239,19 0.379,21 1.507,23 0.969,27 11.317,28 99.112,29 -0.168,30 7.133,32 4.641,33 8.364,34 1,35 0.67,36 1.868,37 1.783,38 7.965,39 7.36,40 140.796,41 0.673,42 2.441,43 0.637,44 1.889,45 0.032,46 10.586,47 18,48 7.793,49 11.234,50 0.134,51 0.032,52 166.8,53 5.917,54 3.051,55 1,56 188.338,58 1.571,59 1.111,60 3.44,61 6.497,62 0.474,63 0.556,64 1.157,65 3.19,66 3.19,67 1.009,68 3.89,69 7,70 5.19,71 5.2}
{0 CHEMBL1973483,3 10.5,4 5.069,5 4.461,6 6.461,7 4.461,9 5.335,11 3.825,12 3.825,13 16.793,14 19.476,15 14.11,16 0.706,17 11.428,18 8.755,19 6.134,21 1.509,23 1.05,27 5.324,28 66.334,29 0.156,30 5.577,32 2.474,33 11.179,35 0.676,36 1.685,37 1.638,38 5.858,39 10.534,40 180.513,41 3.817,42 2.856,43 0.717,44 1.724,45 0.128,46 5,47 10,48 6.892,49 5.878,50 0.149,51 0.169,52 246.163,53 5.575,54 3.441,55 1,56 183.929,58 1.376,59 0.881,60 3.273,61 4.192,62 0.434,63 0.489,64 1.776,65 3.052,66 3.052,67 1.006,68 3.95,69 3,70 5.052,71 5.2}
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{0 CHEMBL1974157,1 9.088,3 5.6,4 4.99,5 4.098,6 6.098,7 4.098,9 4.069,10 1,11 2.035,12 2.035,13 9.218,14 10.638,15 7.799,16 0.713,17 6.384,18 4.984,19 3.64,20 1.826,21 1.614,23 1.159,24 1,25 1,26 1,27 7.976,28 85.286,29 0.203,30 5.48,31 1,32 3.433,33 10.045,35 0.693,36 1.719,37 1.658,38 6.561,39 8.176,40 167.325,41 2.49,42 2.754,43 0.676,44 1.747,45 0.088,46 7.121,47 14,48 6.424,49 7.894,50 0.178,51 0.136,52 168.99,53 4.867,54 3.318,55 1,56 129.482,58 1.466,59 0.909,60 3.11,61 4.076,62 0.468,63 0.53,64 1.595,65 2.86,66 2.86,67 1.225,68 3.923,69 7,70 4.86,71 5.2}
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{0 CHEMBL1974288,3 4.8,4 5.403,5 3.589,6 5.589,7 3.589,9 2.162,11 1.081,12 1.081,13 1.807,14 1.939,15 1.679,16 0.872,17 1.555,18 1.438,19 1.343,21 1.506,23 1.013,27 10.921,28 146.922,29 -0.111,30 8.576,32 4.715,33 10.833,35 0.691,36 1.849,37 1.838,38 8.209,39 7.581,40 174.577,41 1.331,42 2.872,43 0.659,44 1.85,45 0.042,46 11.181,47 18,48 8.39,49 10.898,50 0.138,51 0.058,52 265.175,53 6.026,54 3.414,56 188.338,58 1.666,59 1.004,60 3.768,61 6.299,62 0.478,63 0.546,64 1.778,65 2.932,66 2.932,67 1.026,68 3.947,69 12,70 4.932,71 5.2}
{0 CHEMBL1974310,3 7.1,4 4.952,5 3.519,6 5.519,7 3.519,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.685,17 0.993,18 1.019,19 1.045,21 1.564,23 1.066,27 5.088,28 47.381,29 -0.035,30 4.918,32 2.227,33 7.684,35 0.753,36 1.68,37 1.538,38 5.586,39 9.726,40 140.033,41 1.072,42 2.42,43 0.73,44 1.696,45 0.047,46 5.579,47 9,48 5.326,49 5.295,50 0.168,51 0.11,52 97.273,53 3.98,54 2.951,56 97.358,57 31.278,58 1.19,59 1.119,60 2.307,61 4.057,62 0.487,63 0.557,64 1.175,65 3.094,66 3.094,67 1.215,68 3.859,69 8,70 5.094,71 5.3}
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{0 CHEMBL1974416,3 7.7,4 5.787,5 3.652,6 5.652,7 3.652,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.968,17 1.422,18 1.338,19 1.255,21 1.576,23 1.022,27 7.79,28 94.334,29 0.015,30 6.412,32 3.264,33 10.231,34 1,35 0.716,36 1.927,37 1.892,38 7.19,39 8.958,40 194.511,41 1.176,42 2.749,43 0.71,44 1.938,45 0.036,46 7.025,47 13,48 6.873,49 7.349,50 0.126,51 0.075,52 229.017,53 5.267,54 3.355,56 159.402,58 1.577,59 0.922,60 3.179,61 5.581,62 0.466,63 0.518,64 1.556,65 3.119,66 3.119,67 1.074,68 3.954,69 9,70 5.119,71 5.2}
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{0 CHEMBL1974664,3 11.6,4 1.8,5 3.272,6 5.272,7 3.272,9 1.72,11 0.86,12 0.86,13 0.504,14 0.395,15 0.634,16 0.903,17 0.787,18 0.963,19 1.159,21 1.51,23 1.02,27 8.018,28 66.334,29 0.003,30 6.558,31 1,32 4.171,33 11.154,34 1,35 0.686,36 1.944,37 1.839,38 6.392,39 8.079,40 215.679,41 1.376,42 2.855,43 0.667,44 1.971,45 0.03,46 8.671,47 17,48 6.541,49 8.5,50 0.113,51 0.082,52 200.193,53 5.559,54 3.45,56 176.567,58 1.58,59 0.799,60 3.499,61 5.225,62 0.468,63 0.552,64 1.55,65 3.153,66 3.153,67 1.097,68 3.949,69 3,70 5.153,71 5.2}
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{0 CHEMBL1974803,3 3.3,4 4.94,5 3.703,6 5.703,7 3.703,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.541,17 1.422,18 1.338,19 1.255,21 1.622,23 1.002,27 4.868,28 47.381,29 -0.026,30 5.759,32 1.709,33 7.045,35 0.792,36 1.551,37 1.464,38 5.303,39 11.886,40 92.912,41 1.176,42 2.17,43 0.776,44 1.58,45 0.044,46 5.236,47 8,48 5.569,49 5.11,50 0.154,51 0.285,52 154.577,53 3.18,54 2.793,56 58.856,58 1.153,59 1.438,60 2.028,61 5.6,62 0.502,63 0.595,64 0.88,65 3.268,66 3.268,67 0.99,68 3.85,69 9,70 5.268,71 5.4}
{0 CHEMBL1974870,3 8.2,4 2.39,5 3.148,6 5.148,7 3.148,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.964,17 0.469,18 0.593,19 0.739,21 1.51,23 1.091,27 12.321,28 75.81,29 0.031,30 9.366,32 5.435,33 12,34 1,35 0.698,36 1.864,37 1.845,38 9.415,39 8.019,40 218.64,41 0.908,42 2.955,43 0.661,44 1.868,45 0.028,46 12.575,47 21,48 10.541,49 14.203,50 0.102,51 0.118,52 269.919,53 7.242,54 3.566,56 211.88,58 1.754,59 0.915,60 4.23,61 8.368,62 0.487,63 0.581,64 1.929,65 3.059,66 3.059,67 1.071,68 3.967,69 12,70 5.059,71 5.4}
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{0 CHEMBL1975128,3 16.7,4 1.907,5 3.33,6 5.33,7 3.33,9 1.043,11 0.522,12 0.522,13 0.001,15 0.003,16 0.765,17 0.011,18 0.039,19 0.138,21 1.531,23 1.02,27 7.276,28 108.707,29 0.412,30 8.464,32 3.051,33 9.391,34 2,35 0.771,36 1.696,37 1.559,38 6.906,39 11.562,40 196.523,41 0.434,42 2.682,43 0.71,44 1.748,45 0.02,46 7.127,47 13,48 9.127,49 8.441,50 0.128,51 0.17,52 130.061,53 4.733,54 3.213,56 117.711,57 56.782,58 1.545,59 1.773,60 2.692,61 6.614,62 0.524,63 0.619,64 1.679,65 3.045,66 3.045,67 0.96,68 3.997,69 6,70 5.045,71 6.6}
{0 CHEMBL1975138,3 6.5,4 5.907,5 4.38,6 6.38,7 4.38,9 4.129,11 2.538,12 2.538,13 11.189,14 13.043,15 9.346,16 1.01,17 7.528,18 5.772,19 4.163,21 1.544,23 1.021,27 10.747,28 175.351,29 0.037,30 9.716,32 4.43,33 11.214,35 0.709,36 1.926,37 1.961,38 9.391,39 8.598,40 209.693,41 2.898,42 2.843,43 0.68,44 1.905,45 0.085,46 10.427,47 18,48 9.647,49 10.441,50 0.146,51 0.132,52 326.896,53 6.245,54 3.414,56 179.756,57 45.192,58 1.513,59 1.106,60 3.925,61 9.4,62 0.482,63 0.555,64 1.571,65 3.56,66 3.56,67 1.054,68 3.941,69 12,70 5.56,71 5.2}
{0 CHEMBL1975208,3 9.5,4 6.808,5 3.643,6 5.643,7 3.643,9 3.344,11 1.907,12 1.907,13 7.834,14 9.088,15 6.608,16 0.966,17 5.425,18 4.311,19 3.304,21 1.597,23 1.008,27 8.973,29 0.13,30 7.192,32 4.122,33 9.88,35 0.645,36 1.739,37 1.711,38 6.927,39 8.295,40 115.873,41 2.496,42 2.759,43 0.643,44 1.758,45 0.071,46 8.652,47 17,48 7.744,49 9.911,50 0.135,51 0.233,52 126.164,53 5.707,54 3.256,55 2,56 179.756,58 1.654,59 0.909,60 3.507,61 6.442,62 0.449,63 0.548,64 1.645,65 3.203,66 3.203,67 1.089,68 3.904,69 1,70 5.162,71 5.2}
{0 CHEMBL1975233,1 8.633,3 14.7,4 4.947,5 4.057,6 6.057,7 4.057,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.26,14 10.666,15 7.863,16 0.629,17 6.48,18 5.126,19 3.841,20 1.841,21 1.621,23 1.035,24 1,25 1,26 1,27 4.881,28 18.952,29 -0.14,30 4.982,31 1,32 2.674,33 10.136,35 0.701,36 1.591,37 1.599,38 4.651,39 9.346,40 198.056,41 2.745,42 2.754,43 0.69,44 1.619,45 0.088,46 5.707,47 12,48 5.622,49 6.494,50 0.176,51 0.236,52 160.458,53 4.12,54 3.294,55 2,56 117.711,58 1.519,59 0.792,60 2.486,61 4.725,62 0.472,63 0.573,64 1.512,65 2.837,66 2.837,67 1.018,68 3.898,69 4,70 4.837,71 5.2}
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{0 CHEMBL1976455,3 14.7,4 4.975,5 4.461,6 6.461,7 4.461,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.694,17 10.736,18 8.065,19 5.464,21 1.513,23 1.029,27 4.781,28 37.905,29 -0.362,30 4.937,32 2.305,33 9.583,35 0.687,36 1.676,37 1.637,38 4.947,39 9.803,40 185.495,41 3.244,42 2.685,43 0.708,44 1.71,45 0.147,46 4.828,47 10,48 5.632,49 5.398,50 0.172,51 0.111,52 201.03,53 4.262,54 3.238,55 1,56 139.049,58 1.364,59 0.767,60 2.596,61 4.194,62 0.445,63 0.5,64 1.451,65 3.062,66 3.062,67 1.018,68 3.894,69 3,70 5.062,71 6.8}
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{0 CHEMBL1978014,3 12.5,4 6.066,5 3.822,6 5.822,7 3.822,9 3.272,11 1.886,12 1.886,13 7.638,14 8.895,15 6.391,16 1.155,17 5.164,18 3.978,19 2.891,21 1.542,23 1.096,27 15.295,28 117.755,29 0.015,30 8.96,32 6.514,33 13.484,34 2,35 0.667,36 1.998,37 2.007,38 10.581,39 7.421,40 214.959,41 2.108,42 3.272,43 0.636,44 1.989,45 0.054,46 13.465,47 25,48 10.858,49 16.264,50 0.109,51 0.084,52 288.171,53 7.827,54 3.689,56 270.735,58 1.63,59 0.973,60 4.762,61 8.47,62 0.472,63 0.564,64 2.306,65 3.181,66 3.181,67 1.147,68 4.007,69 5,70 5.181,71 5.2}
{0 CHEMBL1978099,3 11.3,4 6.215,5 4.685,6 6.685,7 4.685,9 3.634,11 2.03,12 2.03,13 8.557,14 9.952,15 7.174,16 0.797,17 5.814,18 4.494,19 3.27,21 1.56,22 2,23 1.037,27 9.923,28 103.433,29 0.057,30 9.208,32 4.967,33 14.094,34 2,35 0.67,36 1.868,37 1.76,38 8.756,39 8.689,40 249.636,41 2.336,42 3.204,43 0.656,44 1.895,45 0.06,46 11.747,47 21,48 9.911,49 11.5,50 0.138,51 0.181,52 352.894,53 7.702,54 3.736,56 203.298,58 1.734,59 0.899,60 4.6,61 7.357,62 0.464,63 0.564,64 2.475,65 3.082,66 3.082,67 0.987,68 3.972,69 5,70 5.082,71 5.6}
{0 CHEMBL1978200,3 11.3,4 6.645,5 3.41,6 5.41,7 3.41,9 0.8,11 0.4,12 0.4,16 1.026,17 0.001,18 0.008,19 0.05,21 1.539,22 1,23 0.997,27 11.195,28 89.636,29 -0.117,30 8.639,32 5.531,33 10.839,34 1,35 0.664,36 1.958,37 1.945,38 9.11,39 8.009,40 218.671,41 0.278,42 2.845,43 0.648,44 1.957,45 0.012,46 11.934,47 22,48 9.644,49 13.668,50 0.1,51 0.168,52 257.598,53 7.385,54 3.322,55 1,56 265.342,58 1.813,59 1.194,60 4.477,61 8.879,62 0.461,63 0.561,64 1.596,65 3.201,66 3.201,67 0.99,68 3.895,69 1,70 5.201,71 5.2}
{0 CHEMBL1978448,3 7.5,4 4.982,5 4.387,6 6.387,7 4.387,9 2.117,11 1.058,12 1.058,13 1.602,14 1.691,15 1.516,16 0.825,17 1.439,18 1.379,19 1.356,21 1.642,23 0.888,27 9.541,28 62.236,29 0.16,30 10.089,32 4.489,33 8.13,34 1,35 0.684,36 1.668,37 1.661,38 8.366,39 8.286,40 108.383,41 1.412,42 2.442,43 0.652,44 1.665,45 0.041,46 12.341,47 17,48 9.514,49 10.816,50 0.169,51 0.136,52 93.843,53 6.638,54 2.987,56 188.338,58 1.564,59 0.839,60 3.956,61 6.632,62 0.48,63 0.587,64 1.353,65 3.185,66 3.185,67 0.914,68 4.031,69 1,70 5.185,71 7.8}
{0 CHEMBL1978656,3 9.5,4 5.714,5 3.621,6 5.621,7 3.621,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.883,17 1.422,18 1.338,19 1.255,21 1.556,23 0.995,27 8.446,28 85.286,29 -0.18,30 7.682,32 4.013,33 10.077,34 1,35 0.702,36 1.863,37 1.821,38 6.893,39 8.2,40 186.32,41 1.176,42 2.782,43 0.683,44 1.867,45 0.036,46 9.9,47 16,48 7.149,49 8.708,50 0.125,51 0.095,52 220.332,53 5.498,54 3.324,55 3,56 164.795,58 1.574,59 0.766,60 3.443,61 5.357,62 0.472,63 0.54,64 1.698,65 3.124,66 3.124,67 1.095,68 3.954,69 8,70 5.124,71 5.2}
{0 CHEMBL1979057,3 9.5,4 4.849,5 3.65,6 5.65,7 3.65,9 2.162,11 1.081,12 1.081,13 1.807,14 1.939,15 1.679,16 0.997,17 1.555,18 1.44,19 1.356,21 1.554,22 1,23 1.013,27 9.69,28 104.239,29 -0.041,30 7.306,32 4.009,33 11.038,34 2,35 0.715,36 1.877,37 1.883,38 7.595,39 8.105,40 202.328,41 1.412,42 2.903,43 0.69,44 1.876,45 0.036,46 9.646,47 16,48 7.641,49 9.722,50 0.122,51 0.027,52 214.678,53 5.789,54 3.424,56 153.024,58 1.575,59 1.034,60 3.31,61 5.938,62 0.478,63 0.535,64 1.808,65 3.194,66 3.194,67 1.037,68 4.062,69 14,70 5.194,71 5.2}
{0 CHEMBL1979093,3 8.2,4 5.352,5 3.564,6 5.564,7 3.564,9 2.912,11 1.656,12 1.656,13 6.092,14 7.084,15 5.114,16 0.976,17 4.165,18 3.275,19 2.508,21 1.553,23 1.023,27 9.435,28 118.183,29 -0.015,30 8.676,32 4.689,33 13.2,35 0.682,36 1.882,37 1.868,38 8.22,39 8.295,40 236.957,41 1.985,42 3.077,43 0.67,44 1.89,45 0.05,46 10.952,47 19,48 9.514,49 11.162,50 0.108,51 0.145,52 298.2,53 7.114,54 3.627,55 1,56 191.527,58 1.576,59 0.999,60 4.157,61 6.469,62 0.463,63 0.544,64 2.053,65 3.241,66 3.241,67 1.069,68 3.975,69 13,70 5.241,71 5.2}
{0 CHEMBL1979176,3 10.3,4 5.121,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.677,17 10.736,18 8.066,19 5.469,21 1.518,23 1.013,27 5.897,28 56.857,29 0.285,30 5.791,32 3.12,33 10.962,35 0.675,36 1.681,37 1.655,38 5.835,39 9.291,40 185.694,41 3.3,42 2.888,43 0.688,44 1.705,45 0.137,46 7.083,47 13,48 6.775,49 6.964,50 0.159,51 0.145,52 225.142,53 5.349,54 3.413,55 2,56 174.362,58 1.521,59 0.901,60 3.255,61 4.167,62 0.447,63 0.518,64 1.66,65 3,66 3,67 1.047,68 3.951,69 2,70 5,71 5.2}
{0 CHEMBL1979252,3 8.1,4 4.718,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.416,16 0.863,17 10.734,18 8.058,19 5.422,21 1.565,22 1,23 1.181,27 7.008,28 74.868,29 -0.231,30 6.086,32 2.997,33 10.32,35 0.684,36 1.856,37 1.794,38 6.245,39 9.387,40 162.533,41 3.092,42 2.774,43 0.697,44 1.878,45 0.142,46 6.222,47 12,48 6.857,49 7.347,50 0.165,51 0.136,52 176.652,53 5.084,54 3.362,56 162.591,58 1.462,59 1.038,60 3.196,61 4.78,62 0.449,63 0.509,64 1.613,65 3.322,66 3.322,67 1.181,68 3.939,69 3,70 5.322,71 5.2}
{0 CHEMBL1979318,1 9.437,3 12.9,4 3.437,5 4.156,6 6.156,7 4.156,9 4.525,10 1,11 2.278,12 2.278,13 10.494,14 12.128,15 8.862,16 0.716,17 7.233,18 5.62,19 4.07,20 2.172,21 1.648,23 0.928,24 1,25 1,26 1,27 6.381,28 37.905,29 -0.346,30 8.272,31 1,32 2.499,33 5.95,34 1,35 0.78,36 1.726,37 1.663,38 6.829,39 12.2,40 184.217,41 2.759,42 1.857,43 0.717,44 1.757,45 0.104,46 7.526,47 11,48 9.376,49 7.907,50 0.189,51 0.278,52 96.405,53 4.589,54 2.565,55 1,56 94.169,57 56.782,58 1.253,59 0.189,60 2.366,61 9.893,62 0.529,63 0.64,64 0.77,65 3.268,66 3.268,67 0.889,68 3.859,69 10,70 5.268,71 5.2}
{0 CHEMBL1979357,3 8.2,4 2.19,5 3.475,6 5.475,7 3.475,9 1.36,11 0.68,12 0.68,13 0.019,14 0.009,15 0.041,16 1.03,17 0.087,18 0.18,19 0.356,21 1.488,23 1.064,27 13.525,28 94.334,29 -0.058,30 10.559,32 5.797,33 10.889,34 1,35 0.691,36 1.946,37 1.936,38 9.65,39 7.234,40 226.852,41 0.655,42 2.876,43 0.65,44 1.946,45 0.023,46 15.081,47 22,48 10.699,49 15.197,50 0.116,51 0.069,52 250.62,53 6.873,54 3.399,56 235.422,58 1.774,59 0.759,60 4.219,61 10.025,62 0.485,63 0.566,64 1.687,65 3.213,66 3.213,67 1.09,68 3.977,69 13,70 5.213,71 5.2}
{0 CHEMBL1979516,3 9.6,4 5.361,5 3.605,6 5.605,7 3.605,9 2.912,11 1.656,12 1.656,13 6.1,14 7.087,15 5.132,16 1.036,17 4.204,18 3.348,19 2.617,21 1.542,23 0.873,27 10.8,28 116.356,29 -0.138,30 10.792,32 4.911,33 13.813,35 0.704,36 1.938,37 1.894,38 9.6,39 8.645,40 245.971,41 2.084,42 3.269,43 0.679,44 1.939,45 0.047,46 11.306,47 20,48 10.105,49 11.506,50 0.103,51 0.121,52 315.489,53 7.833,54 3.719,55 1,56 191.527,57 31.278,58 1.808,59 1.078,60 4.433,61 8.813,62 0.478,63 0.56,64 2.211,65 3.202,66 3.202,67 0.842,68 3.955,69 9,70 5.202,71 5.2}
{0 CHEMBL1979554,3 10.5,4 4.941,5 3.967,6 5.967,7 3.967,9 1.315,11 0.657,12 0.657,13 0.013,14 0.006,15 0.03,16 0.917,17 0.069,18 0.157,19 0.354,21 1.61,22 1,23 1.155,27 7.239,28 74.868,29 -0.107,30 6.231,32 2.708,33 10.846,34 1,35 0.749,36 1.875,37 1.805,38 6.546,39 10.191,40 170.799,41 0.781,42 2.907,43 0.732,44 1.893,45 0.023,46 6.858,47 12,48 7.134,49 7.817,50 0.137,51 0.165,52 158.273,53 4.59,54 3.409,56 105.94,58 1.464,59 0.921,60 2.701,61 4.916,62 0.488,63 0.568,64 1.716,65 3.323,66 3.323,67 1.121,68 3.979,69 5,70 5.323,71 5.2}
{0 CHEMBL1979577,3 8.6,4 5.329,5 3.714,6 5.714,7 3.714,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.112,16 1.046,17 4.159,18 3.26,19 2.476,20 6.189,21 1.543,23 1.098,24 2,25 1,26 2,27 13.541,28 116.356,29 -0.296,30 10.899,32 6.33,33 14,35 0.702,36 1.947,37 1.942,38 10.6,39 7.856,40 299.823,41 1.944,42 3.257,43 0.66,44 1.939,45 0.046,46 13.091,47 25,48 13.027,49 17.249,50 0.103,51 0.163,52 327.961,53 9.041,54 3.731,56 223.651,57 31.278,58 1.829,59 1.17,60 5.002,61 11.208,62 0.49,63 0.591,64 2.303,65 3.18,66 3.18,67 1.017,68 3.968,69 15,70 5.18,71 5.2}
{0 CHEMBL1979718,3 11.1,4 5.438,5 3.585,6 5.585,7 3.585,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.97,17 1.425,18 1.348,19 1.297,21 1.546,23 1.081,27 10.31,28 75.81,29 -0.126,30 10.09,32 4.857,33 10.577,34 2,35 0.685,36 1.83,37 1.844,38 7.694,39 7.676,40 197.84,41 1.331,42 2.969,43 0.656,44 1.818,45 0.036,46 14.222,47 19,48 8.883,49 12.115,50 0.124,51 0.108,52 147.357,53 6.261,54 3.367,55 2,56 200.109,58 1.568,59 0.96,60 3.701,61 8.159,62 0.474,63 0.564,64 1.962,65 3.228,66 3.228,67 1.112,68 3.941,69 10,70 5.228,71 5.2}
{0 CHEMBL1979855,1 8.733,3 9.8,4 6.003,5 4.045,6 6.045,7 4.045,9 4.874,10 1,11 2.437,12 2.437,13 11.388,14 13.167,15 9.613,16 1.115,17 7.846,18 6.103,19 4.433,20 1.892,21 1.637,23 1.132,24 1,25 1,26 1,27 14.671,28 113.715,29 -0.064,30 10.168,31 1,32 6.663,33 12.829,34 1,35 0.681,36 1.946,37 1.992,38 10.881,39 7.649,40 290.339,41 2.99,42 3.072,43 0.653,44 1.919,45 0.064,46 14.015,47 26,48 12.159,49 17.215,50 0.106,51 0.155,52 312.54,53 8.687,54 3.593,55 1,56 270.735,58 1.682,59 0.814,60 5.121,61 11.255,62 0.473,63 0.566,64 1.995,65 3.316,66 3.316,67 1.17,68 4.074,69 14,70 5.316,71 5.2}
{0 CHEMBL1979883,3 8.6,4 5.331,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.096,14 7.085,15 5.124,16 1.022,17 4.186,18 3.315,19 2.573,20 6.375,21 1.537,23 1.105,24 2,25 1,26 2,27 13.308,28 116.356,29 -0.195,30 10.914,32 6.358,33 14.545,35 0.702,36 1.935,37 1.903,38 10.45,39 7.856,40 271.298,41 2.072,42 3.294,43 0.66,44 1.932,45 0.046,46 13.13,47 25,48 13.027,49 17.249,50 0.099,51 0.138,52 328.77,53 8.62,54 3.794,56 247.193,57 31.278,58 1.815,59 1.232,60 5.013,61 9.15,62 0.49,63 0.593,64 2.441,65 3.176,66 3.176,67 1.054,68 3.968,69 13,70 5.176,71 5.2}
{0 CHEMBL1979970,3 13.9,4 5.888,5 3.598,6 5.598,7 3.598,9 3.306,11 1.907,12 1.907,13 7.771,14 9.051,15 6.501,16 0.896,17 5.25,18 4.037,19 2.904,21 1.56,23 0.872,27 6.88,28 37.905,29 0.094,30 4.293,32 3.254,33 9.304,34 1,35 0.671,36 1.813,37 1.783,38 5.819,39 8.815,40 171.967,41 1.953,42 2.703,43 0.673,44 1.823,45 0.076,46 4.723,47 13,48 5.016,49 5.9,50 0.144,51 0.135,52 126.112,53 4.983,54 3.205,56 159.402,58 1.514,59 1.023,60 2.99,61 3.653,62 0.452,63 0.532,64 1.535,65 3.056,66 3.056,67 0.963,68 3.909,69 3,70 5.056,71 5.3}
{0 CHEMBL1980142,3 10.5,4 5.094,5 4.47,6 6.47,7 4.47,9 5.335,11 3.825,12 3.825,13 16.793,14 19.476,15 14.11,16 0.688,17 11.428,18 8.755,19 6.134,21 1.507,23 1,27 5.395,28 66.334,29 0.045,30 6.228,32 2.474,33 10.571,35 0.676,36 1.672,37 1.641,38 5.851,39 10.534,40 180.513,41 3.817,42 2.727,43 0.717,44 1.707,45 0.128,46 4.997,47 10,48 6.648,49 5.7,50 0.149,51 0.169,52 240.846,53 5.575,54 3.374,55 1,56 183.929,58 1.376,59 0.779,60 3.273,61 4.435,62 0.434,63 0.489,64 1.602,65 3.155,66 3.155,67 0.986,68 3.95,69 3,70 5.155,71 5.2}
{0 CHEMBL1980144,3 12.5,4 5.644,5 3.621,6 5.621,7 3.621,9 2.912,11 1.656,12 1.656,13 6.1,14 7.087,15 5.132,16 0.949,17 4.204,18 3.348,19 2.617,21 1.552,23 1.034,27 8.946,28 116.356,29 0.165,30 9.279,32 4.243,33 13.367,35 0.712,36 1.928,37 1.839,38 7.827,39 8.719,40 250.243,41 2.084,42 3.044,43 0.686,44 1.948,45 0.05,46 10.877,47 18,48 8.662,49 10.222,50 0.11,51 0.109,52 310.395,53 6.673,54 3.66,56 153.024,57 31.278,58 1.553,59 1.18,60 3.844,61 7.454,62 0.48,63 0.56,64 2.209,65 3.108,66 3.108,67 0.993,68 3.983,69 6,70 5.108,71 5.2}
{0 CHEMBL1980163,3 7.1,4 2.314,5 3.112,6 5.112,7 3.112,9 2.302,11 1.151,12 1.151,13 2.468,14 2.727,15 2.214,16 1.044,17 1.968,18 1.732,19 1.517,21 1.474,22 1,23 1.059,27 9.562,28 123.191,29 0.102,30 6.906,32 4.425,33 11.72,34 1,35 0.71,36 1.948,37 1.962,38 7.411,39 7.795,40 206.215,41 1.378,42 2.885,43 0.678,44 1.937,45 0.041,46 9.317,47 17,48 7.438,49 9.652,50 0.111,52 299.023,53 5.774,54 3.493,56 188.338,58 1.503,59 1.098,60 3.539,61 6.414,62 0.481,63 0.544,64 2.016,65 2.951,66 2.951,67 1.117,68 3.955,69 7,70 4.951,71 5.2}
{0 CHEMBL1980297,3 10.7,4 5.319,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.046,17 4.156,18 3.244,19 2.415,21 1.527,23 0.914,27 11.445,28 168.087,29 -0.05,30 11.977,32 5.133,33 15.143,34 1,35 0.707,36 1.934,37 1.895,38 10.174,39 8.725,40 254.15,41 1.758,42 3.4,43 0.685,44 1.931,45 0.042,46 12.989,47 21,48 11.25,49 13.265,50 0.091,51 0.081,52 341.994,53 8.125,54 3.847,56 203.298,57 31.278,58 1.8,59 1.204,60 4.748,61 9.383,62 0.477,63 0.549,64 2.498,65 3.207,66 3.207,67 0.832,68 3.973,69 11,70 5.207,71 5.2}
{0 CHEMBL1980391,3 10.3,4 6.373,5 3.476,6 5.476,7 3.476,9 1.72,11 0.86,12 0.86,13 0.286,14 0.218,15 0.375,16 0.858,17 0.491,18 0.647,19 0.877,21 1.564,22 1,23 0.87,27 7.036,28 56.857,29 0.139,30 7.641,31 1,32 3.455,33 7.72,34 2,35 0.714,36 1.735,37 1.748,38 6.491,39 9.149,40 182.279,41 1.258,42 2.337,43 0.697,44 1.73,45 0.031,46 8.694,47 14,48 7.008,49 7.774,50 0.124,51 0.168,52 104.43,53 5.46,54 2.906,56 156.213,58 1.572,59 1.232,60 3.167,61 7.92,62 0.477,63 0.571,64 1.034,65 3.149,66 3.149,67 0.887,68 3.894,69 7,70 5.149,71 5.6}
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{0 CHEMBL1980540,3 11.4,4 5.075,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.662,17 10.736,18 8.065,19 5.464,21 1.53,23 0.947,27 5.245,28 66.334,29 0.496,30 5.329,32 2.332,33 9.76,35 0.713,36 1.646,37 1.625,38 5.411,39 10.479,40 173.068,41 3.244,42 2.661,43 0.726,44 1.67,45 0.142,46 4.771,47 10,48 5.882,49 5.512,50 0.165,51 0.166,52 213.221,53 4.721,54 3.283,55 1,56 139.049,58 1.374,59 0.877,60 2.742,61 3.699,62 0.46,63 0.528,64 1.488,65 3.006,66 3.006,67 0.897,68 3.949,69 4,70 5.006,71 7.3}
{0 CHEMBL1980704,3 12.5,4 1.653,5 4.463,6 6.463,7 4.463,9 6.545,11 3.272,12 3.272,13 14.919,14 17.29,15 12.548,16 0.927,17 10.177,18 7.807,19 5.44,21 1.635,23 0.941,27 8.267,28 93.905,29 0.043,30 7.529,32 3.905,33 9.68,34 2,35 0.737,36 1.708,37 1.716,38 6.922,39 8.636,40 171.097,41 3.11,42 2.661,43 0.698,44 1.689,45 0.113,46 8.54,47 15,48 7.853,49 9.239,50 0.154,51 0.041,52 157.443,53 5.886,54 3.267,56 176.567,57 32.22,58 1.659,59 0.797,60 3.298,61 6.04,62 0.493,63 0.578,64 1.398,65 3.129,66 3.129,67 0.96,68 4.148,69 6,70 5.129,71 6}
{0 CHEMBL1980715,3 9.5,4 2.339,5 3.212,6 5.212,7 3.212,9 2.129,11 1.2,12 1.2,13 2.676,14 2.958,15 2.419,16 1.15,17 2.197,18 2.026,19 1.927,21 1.365,22 1,23 0.947,27 16.579,28 28.429,29 0.023,30 10.423,31 2,32 8.401,33 14.926,35 0.602,36 1.918,37 1.962,38 10.248,39 5.978,40 246.907,41 1.951,42 3.264,43 0.552,44 1.883,45 0.044,46 16.727,47 36,48 10.947,49 17.114,50 0.119,51 0.165,52 111.109,53 9.407,54 3.803,56 329.591,58 1.839,59 0.979,60 5.394,61 9.219,62 0.472,63 0.615,64 2.236,65 2.8,66 2.8,67 0.943,68 3.876,69 9,70 4.8,71 5.2}
{0 CHEMBL1980802,1 9.064,3 12.2,4 5.22,5 4.073,6 6.073,7 4.073,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.26,14 10.666,15 7.863,16 0.757,17 6.481,18 5.131,19 3.864,20 1.788,21 1.616,23 0.959,24 1,25 1,26 1,27 7.313,28 113.795,29 -0.134,30 7.62,31 1,32 2.983,33 9.259,35 0.682,36 1.831,37 1.776,38 7.167,39 9.556,40 189.59,41 2.835,42 2.416,43 0.686,44 1.846,45 0.07,46 8.387,47 14,48 7.665,49 8.399,50 0.14,51 0.171,52 101.29,53 5.352,54 3.192,55 3,56 117.711,58 1.452,59 0.989,60 3.189,61 8.482,62 0.459,63 0.536,64 1.215,65 2.77,66 2.77,67 0.94,68 3.892,69 2,70 4.77,71 5.2}
{0 CHEMBL1980896,3 9.5,4 5.287,5 3.629,6 5.629,7 3.629,9 3.497,11 1.987,12 1.987,13 8.273,14 9.631,15 6.927,16 0.873,17 5.601,18 4.312,19 3.1,21 1.546,23 0.947,27 7.797,28 108.707,29 -0.044,30 10.169,32 3.213,33 11.893,35 0.783,36 1.884,37 1.787,38 7.474,39 11.281,40 198.407,41 2.076,42 2.918,43 0.738,44 1.899,45 0.064,46 9.475,47 14,48 8.972,49 9.941,50 0.117,51 0.188,52 270.969,53 5.926,54 3.499,56 129.482,57 77.232,58 1.561,59 0.936,60 3.032,61 5.648,62 0.529,63 0.629,64 1.916,65 3.135,66 3.135,67 0.815,68 3.956,69 14,70 5.135,71 5.2}
{0 CHEMBL1980995,3 6.6,4 6.322,5 4.031,6 6.031,7 4.031,9 2.315,11 1.157,12 1.157,13 2.888,14 3.12,15 2.668,16 1.166,17 2.465,18 2.286,19 2.149,21 1.636,23 0.782,27 17.155,28 93.821,29 -0.002,30 19.901,32 6.965,33 8.057,34 2,35 0.685,36 2.003,37 1.955,38 13.607,39 7.649,40 178.319,41 2.133,42 2.248,43 0.656,44 2.019,45 0.028,46 25.674,47 26,48 17.103,49 21.674,50 0.096,51 0.11,52 145.816,53 9.887,54 2.956,56 282.506,58 1.944,59 1.192,60 5.573,61 21.781,62 0.474,63 0.568,64 0.986,65 3.602,66 3.602,67 0.816,68 4.046,69 13,70 5.602,71 5.8}
{0 CHEMBL1981045,3 3.7,4 6.204,5 3.624,6 5.624,7 3.624,9 2.117,11 1.058,12 1.058,13 1.845,14 1.862,15 1.857,16 1.203,17 1.904,18 1.991,19 2.128,21 1.53,22 1,23 0.957,27 21.432,28 208.558,29 -0.043,30 19.519,32 9.543,33 20.111,34 1,35 0.66,36 2.012,37 2.009,38 16.543,39 7.46,40 242.54,41 2.345,42 3.764,43 0.634,44 2.01,45 0.021,46 26.412,47 37,48 18.349,49 24.345,50 0.072,51 0.071,52 720.424,53 12.724,54 4.232,56 388.446,58 1.869,59 1.047,60 7.815,61 15.954,62 0.467,63 0.558,64 3.536,65 3.09,66 3.09,67 0.94,68 3.98,69 13,70 5.09,71 5.2}
{0 CHEMBL1981047,3 9.2,4 6.151,5 3.951,6 5.951,7 3.951,9 3.862,11 2.245,12 2.245,13 9.727,14 11.335,15 8.13,16 1.066,17 6.559,18 5.053,19 3.731,21 1.562,23 1.142,27 17.238,28 85.286,29 0.029,30 12.881,32 7.658,33 15.257,34 1,35 0.654,36 1.918,37 1.915,38 12.223,39 7.302,40 204.717,41 2.872,42 3.337,43 0.625,44 1.917,45 0.058,46 18.48,47 30,48 13.776,49 19.74,50 0.101,51 0.102,52 379.13,53 8.831,54 3.86,55 2,56 329.591,58 1.712,59 1.068,60 5.582,61 11.52,62 0.469,63 0.572,64 2.493,65 3.087,66 3.087,67 1.184,68 3.997,69 5,70 5.087,71 5.2}
{0 CHEMBL1981079,3 14.7,4 6.153,5 3.564,6 5.564,7 3.564,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.67,17 0.993,18 1.019,19 1.045,21 1.568,23 1.001,27 5.247,28 80.278,29 -0.185,30 5.895,32 2.303,33 8.435,34 1,35 0.715,36 1.683,37 1.614,38 5.357,39 9.758,40 206.446,41 1.072,42 2.546,43 0.71,44 1.713,45 0.039,46 6.46,47 11,48 5.319,49 5.323,50 0.143,51 0.197,52 149.772,53 4.265,54 3.072,56 85.587,58 1.447,59 1.167,60 2.399,61 5.112,62 0.471,63 0.541,64 1.323,65 3.154,66 3.154,67 1.028,68 3.881,69 5,70 5.154,71 6.4}
{0 CHEMBL1981107,3 9.5,4 4.246,5 3.658,6 5.523,7 3.658,9 2.555,11 1.277,12 1.277,13 3.658,14 4.138,15 3.184,16 0.535,17 2.72,18 2.271,19 1.845,21 1.599,23 0.975,27 5.196,29 0.411,30 2.25,32 2.633,33 4.091,34 1,35 0.643,36 1.402,37 1.417,38 3.519,39 7.152,40 54.563,41 1.45,42 1.435,43 0.613,44 1.382,45 0.106,46 3.639,47 10,48 3.168,49 4.733,50 0.305,51 0.162,52 21.236,53 2.97,54 2.186,55 2,56 117.711,58 1.309,60 1.914,61 0.414,62 0.467,63 0.591,64 0.496,65 3.085,66 3.085,67 0.997,68 3.571,69 1,70 5.085,71 4.8}
{0 CHEMBL1981410,3 13.2,4 5.226,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 1.013,17 10.736,18 8.066,19 5.473,21 1.499,22 2,23 0.975,27 11.175,28 75.81,29 0.32,30 8.671,31 1,32 4.799,33 13.636,35 0.668,36 1.937,37 1.843,38 8.827,39 8.594,40 253.954,41 3.34,42 3.11,43 0.665,44 1.963,45 0.106,46 10.946,47 20,48 9.406,49 11.374,50 0.124,51 0.113,52 328.167,53 7.154,54 3.715,56 233.218,58 1.775,59 0.961,60 4.179,61 7.895,62 0.454,63 0.53,64 2.237,65 2.932,66 2.932,67 1.021,68 3.967,69 6,70 4.932,71 5.2}
{0 CHEMBL1981720,3 16.1,4 4.915,5 3.569,6 5.569,7 3.569,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.666,17 4.156,18 3.244,19 2.415,21 1.499,23 0.944,27 5.176,28 47.381,29 -0.283,30 3.995,32 2.519,33 8.7,35 0.702,36 1.647,37 1.641,38 4.279,39 8.558,40 184.027,41 1.758,42 2.485,43 0.69,44 1.659,45 0.075,46 4.857,47 11,48 4.294,49 5.467,50 0.162,51 0.036,52 160.239,53 3.433,54 3.118,55 1,56 105.94,58 1.364,59 0.96,60 2.191,61 2.885,62 0.467,63 0.522,64 1.26,65 2.979,66 2.979,67 0.917,68 3.893,69 3,70 4.979,71 5.7}
{0 CHEMBL1981725,3 10.1,4 6.209,5 3.586,6 5.586,7 3.586,9 2.117,11 1.058,12 1.058,13 1.626,14 1.706,15 1.556,16 1.079,17 1.501,18 1.472,19 1.5,21 1.529,22 1,23 0.914,27 19.527,28 160.667,29 0.006,30 16.916,32 8.507,33 18,34 2,35 0.688,36 2.025,37 1.999,38 14.442,39 7.757,40 323.333,41 1.701,42 3.593,43 0.66,44 2.031,45 0.02,46 23.385,47 33,48 16.116,49 21.546,50 0.069,51 0.051,52 858.771,53 10.832,54 4.057,55 1,56 379.864,58 1.968,59 1.027,60 6.593,61 15.167,62 0.474,63 0.552,64 2.783,65 3.172,66 3.172,67 0.921,68 4.021,69 6,70 5.172,71 5.2}
{0 CHEMBL1981782,3 11.8,4 4.907,5 3.552,6 5.552,7 3.552,9 2.921,11 1.659,12 1.659,13 6.114,14 7.11,15 5.131,16 0.665,17 4.173,18 3.261,19 2.443,21 1.545,23 1.13,27 6.878,28 56.857,29 0.407,30 5.181,32 2.737,33 10.318,34 1,35 0.735,36 1.647,37 1.54,38 6.153,39 9.859,40 159.295,41 1.848,42 2.754,43 0.709,44 1.692,45 0.069,46 6.019,47 12,48 6.253,49 7.285,50 0.148,51 0.162,52 137.982,53 4.261,54 3.354,56 105.94,58 1.464,59 1.057,60 2.471,61 3.996,62 0.494,63 0.585,64 1.591,65 2.889,66 2.889,67 1.075,68 3.947,69 8,70 4.889,71 5.5}
{0 CHEMBL1982122,3 6.7,4 3.416,5 3.196,6 5.196,7 3.196,9 1.315,11 0.657,12 0.657,13 0.013,14 0.006,15 0.03,16 0.966,17 0.067,18 0.149,19 0.317,21 1.479,22 1,23 0.95,27 12.05,28 137.446,29 -0.113,30 10.526,32 5.03,33 10.846,35 0.716,36 1.828,37 1.812,38 9.613,39 8.033,40 179.921,41 0.623,42 2.874,43 0.671,44 1.827,45 0.023,46 12.685,47 19,48 9.955,49 12.418,50 0.11,51 0.026,52 244.327,53 6.751,54 3.414,56 200.109,57 31.278,58 1.793,59 0.997,60 4.111,61 8.448,62 0.495,63 0.576,64 1.793,65 2.925,66 2.925,67 0.952,68 3.956,69 13,70 4.925,71 5.2}
{0 CHEMBL1982135,3 10.4,4 5.425,5 3.57,6 5.57,7 3.57,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.937,17 4.156,18 3.244,19 2.415,21 1.556,23 0.997,27 11.515,28 99.231,29 -0.18,30 10.553,32 4.815,33 11.724,35 0.718,36 1.896,37 1.787,38 9.732,39 8.365,40 220.444,41 1.758,42 2.922,43 0.681,44 1.914,45 0.05,46 12.712,47 19,48 10.725,49 13.087,50 0.108,51 0.087,52 250.759,53 7.371,54 3.483,56 176.567,57 31.278,58 1.693,59 0.955,60 4.058,61 7.441,62 0.489,63 0.574,64 1.891,65 3.261,66 3.261,67 1.038,68 3.967,69 17,70 5.261,71 5.2}
{0 CHEMBL1982167,3 8.7,4 5.904,5 3.622,6 5.622,7 3.622,9 2.117,11 1.058,12 1.058,13 1.723,14 1.776,15 1.688,16 0.882,17 1.676,18 1.692,19 1.74,21 1.544,23 0.948,27 8.477,28 85.286,29 -0.18,30 8.346,32 4.523,33 10.821,34 1,35 0.689,36 1.863,37 1.82,38 7.038,39 8.14,40 206.562,41 1.824,42 2.867,43 0.672,44 1.866,45 0.034,46 10.876,47 18,48 7.63,49 9.34,50 0.117,51 0.102,52 241.879,53 6.095,54 3.41,55 3,56 200.109,58 1.595,59 1.108,60 3.895,61 6.494,62 0.468,63 0.551,64 1.704,65 3.123,66 3.123,67 1.036,68 3.94,69 6,70 5.123,71 5.2}
{0 CHEMBL1982361,3 8.8,4 5.549,5 3.967,6 5.967,7 3.967,9 1.315,11 0.657,12 0.657,13 0.013,14 0.006,15 0.03,16 0.856,17 0.069,18 0.157,19 0.354,21 1.587,22 1,23 1.089,27 6.654,28 74.868,29 0.103,30 5.167,32 2.956,33 9.318,35 0.696,36 1.853,37 1.794,38 5.622,39 8.744,40 160.709,41 0.781,42 2.681,43 0.692,44 1.874,45 0.027,46 5.834,47 12,48 5.645,49 6.497,50 0.165,51 0.094,52 151.6,53 4.301,54 3.221,56 132.671,58 1.462,59 0.893,60 2.779,61 4.156,62 0.461,63 0.521,64 1.5,65 3.322,66 3.322,67 1.121,68 3.922,69 2,70 5.322,71 5.2}
{0 CHEMBL1982383,3 12.1,4 5.562,5 3.372,6 5.372,7 3.372,9 0.8,11 0.4,12 0.4,16 1.102,17 0.001,18 0.008,19 0.05,21 1.532,22 1,23 1.078,27 14.625,28 99.112,29 -0.02,30 9.501,32 6.467,33 10.906,34 1,35 0.656,36 1.975,37 1.97,38 10.284,39 7.51,40 245.204,41 0.278,42 2.88,43 0.63,44 1.967,45 0.011,46 14.195,47 26,48 10.453,49 15.978,50 0.096,51 0.135,52 268.357,53 8.003,54 3.386,55 1,56 273.924,58 1.827,59 1.218,60 4.748,61 11.127,62 0.466,63 0.565,64 1.605,65 3.187,66 3.187,67 1.154,68 3.903,69 2,70 5.187,71 5.2}
{0 CHEMBL1982465,3 7.9,4 5.384,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.096,14 7.085,15 5.126,16 1.131,17 4.195,18 3.344,19 2.653,20 6.565,21 1.531,23 1.002,24 2,25 1,26 2,27 15.307,28 116.356,29 -0.155,30 13.116,32 6.921,33 15.944,35 0.698,36 1.975,37 1.952,38 12.108,39 7.9,40 267.902,41 2.243,42 3.396,43 0.659,44 1.976,45 0.041,46 16.22,47 27,48 14.072,49 18.61,50 0.089,51 0.07,52 483.712,53 9.784,54 3.923,56 270.735,57 31.278,58 1.862,59 1.204,60 5.594,61 9.606,62 0.486,63 0.578,64 2.833,65 3.176,66 3.176,67 0.917,68 3.968,69 13,70 5.176,71 5.2}
{0 CHEMBL1982466,3 10.9,4 5.322,5 3.562,6 5.562,7 3.562,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.059,17 4.156,18 3.244,19 2.415,21 1.54,23 1.026,27 11.678,28 125.404,29 -0.011,30 11.985,32 5.544,33 14.515,34 1,35 0.713,36 1.935,37 1.894,38 9.588,39 8.265,40 263.331,41 1.758,42 3.253,43 0.677,44 1.932,45 0.045,46 13.99,47 22,48 11.836,49 14.846,50 0.096,51 0.108,52 320.871,53 7.991,54 3.779,56 211.88,57 31.278,58 1.722,59 1.043,60 4.596,61 9.29,62 0.487,63 0.575,64 2.257,65 3.206,66 3.206,67 0.955,68 3.976,69 14,70 5.206,71 5.2}
{0 CHEMBL1982476,3 10.2,4 5.23,5 3.601,6 5.601,7 3.601,9 2.912,11 1.656,12 1.656,13 6.1,14 7.087,15 5.132,16 1.021,17 4.204,18 3.348,19 2.617,21 1.556,23 0.943,27 9.722,28 116.356,29 -0.139,30 10.506,32 4.232,33 13.226,35 0.73,36 1.932,37 1.877,38 8.855,39 9.224,40 237.816,41 2.084,42 3.112,43 0.699,44 1.931,45 0.049,46 10.962,47 18,48 9.643,49 10.451,50 0.106,51 0.15,52 304.035,53 6.949,54 3.662,55 1,56 153.024,57 31.278,58 1.672,59 0.928,60 3.904,61 7.352,62 0.491,63 0.58,64 2.104,65 3.202,66 3.202,67 0.915,68 3.948,69 10,70 5.202,71 5.2}
{0 CHEMBL1982506,3 6.9,4 4.8,5 3.818,6 5.818,7 3.818,9 2.4,11 1.2,12 1.2,13 2.977,14 3.305,15 2.673,16 0.575,17 2.41,18 2.21,19 2.099,21 1.633,23 0.909,27 4.181,28 18.952,29 0.344,30 5.155,32 2.407,33 6.947,35 0.685,36 1.561,37 1.576,38 4.494,39 8.905,40 115.547,41 2.094,42 2.249,43 0.69,44 1.626,45 0.057,46 5.547,47 10,48 4.842,49 5.002,50 0.182,51 0.193,52 66.888,53 4.009,54 2.805,55 2,56 105.94,58 1.409,59 1.016,60 2.482,61 3.418,62 0.454,63 0.543,64 1.014,65 3.29,66 3.29,67 1.025,68 3.71,69 2,70 5.29,71 5.2}
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{0 CHEMBL1982866,3 10.8,4 1.856,5 3.193,6 5.193,7 3.193,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.871,17 0.469,18 0.593,19 0.739,21 1.495,23 0.969,27 7.674,28 56.429,29 0.159,30 5.672,32 3.808,33 8.318,34 1,35 0.7,36 1.842,37 1.805,38 5.963,39 8.508,40 159.072,41 0.908,42 2.517,43 0.67,44 1.854,45 0.036,46 7.59,47 15,48 6.199,49 8.31,50 0.133,51 0.114,52 137.389,53 4.825,54 3.069,55 3,56 176.567,58 1.554,59 1.045,60 3.078,61 7.026,62 0.484,63 0.585,64 1.256,65 3.102,66 3.102,67 0.949,68 3.853,69 6,70 5.102,71 5.2}
{0 CHEMBL1982874,3 10.6,4 5.456,5 3.35,6 5.35,7 3.35,16 1.023,21 1.557,23 0.858,27 10.631,28 115.927,29 0.196,30 9.181,32 4.678,33 10,34 2,35 0.722,36 1.799,37 1.752,38 8.852,39 8.586,40 187.052,42 2.715,43 0.689,44 1.822,46 11.26,47 18,48 8.428,49 10.222,50 0.099,51 0.049,52 137.924,53 7.03,54 3.287,56 203.298,57 31.278,58 1.612,59 1.039,60 4.051,61 11.091,62 0.487,63 0.564,64 1.379,65 3.18,66 3.18,67 0.85,68 4.097,69 4,70 5.18,71 5.2}
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{0 CHEMBL1983006,1 8.63,3 14.7,4 4.965,5 4.057,6 6.057,7 4.057,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.275,14 10.674,15 7.891,16 0.573,17 6.534,18 5.225,19 4.009,20 1.802,21 1.628,23 0.984,24 1,25 1,26 1,27 3.692,28 18.952,29 -0.564,30 5.082,31 1,32 1.952,33 10.833,35 0.706,36 1.554,37 1.566,38 4.536,39 10.228,40 190.141,41 2.98,42 2.872,43 0.717,44 1.617,45 0.081,46 5.136,47 10,48 5.148,49 4.556,50 0.162,51 0.237,52 179.081,53 3.819,54 3.373,55 2,56 82.398,58 1.404,59 0.793,60 2.41,61 4.138,62 0.46,63 0.54,64 1.611,65 2.928,66 2.928,67 0.981,68 3.898,69 2,70 4.928,71 5.2}
{0 CHEMBL1983025,3 7.8,4 5.372,5 3.802,6 5.802,7 3.802,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.112,16 1.131,17 4.159,18 3.26,19 2.476,20 6.465,21 1.514,23 0.97,24 2,25 1,26 2,27 16.566,28 116.356,29 -0.249,30 14.362,32 7.486,33 14.743,35 0.692,36 1.974,37 1.997,38 12.466,39 7.558,40 304.892,41 1.944,42 3.283,43 0.646,44 1.958,45 0.044,46 18.529,47 29,48 14.177,49 19.065,50 0.1,51 0.153,52 351.679,53 10.346,54 3.811,56 270.735,57 31.278,58 1.851,59 1.329,60 5.723,61 12.246,62 0.49,63 0.598,64 2.493,65 3.202,66 3.202,67 0.926,68 3.968,69 19,70 5.202,71 5.2}
{0 CHEMBL1983111,3 10.2,4 5.7,5 4.47,6 6.47,7 4.47,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.419,16 0.985,17 10.744,18 8.098,19 5.58,21 1.552,22 2,23 0.971,27 14.773,28 28.429,29 -0.249,30 10.496,32 6.425,33 13.235,34 1,35 0.646,36 1.887,37 1.807,38 10.582,39 8.043,40 185.517,41 3.579,42 3.12,43 0.636,44 1.907,45 0.101,46 14.286,47 25,48 10.471,49 14.609,50 0.118,51 0.131,52 288.237,53 9.102,54 3.641,56 303.845,58 1.797,59 0.986,60 5.168,61 10.464,62 0.454,63 0.546,64 2.131,65 3.314,66 3.314,67 0.973,68 4,69 6,70 5.314,71 5.8}
{0 CHEMBL1983195,3 8.3,4 5.325,5 3.684,6 5.684,7 3.684,9 2.972,11 1.701,12 1.701,13 6.409,14 7.458,15 5.372,16 0.869,17 4.358,18 3.388,19 2.511,21 1.509,23 0.778,27 9.885,28 89.813,29 0.037,30 8.409,32 5.052,33 10.321,35 0.677,36 1.717,37 1.725,38 7.376,39 7.843,40 194.113,41 1.863,42 2.758,43 0.655,44 1.727,45 0.055,46 10.797,47 20,48 7.375,49 9.483,50 0.119,51 0.102,52 146.974,53 6.53,54 3.333,55 2,56 223.651,58 1.712,59 1.108,60 4.121,61 9.407,62 0.468,63 0.56,64 1.727,65 3.106,66 3.106,67 0.787,68 3.879,69 1,70 5.106,71 5.8}
{0 CHEMBL1983268,3 8,4 6.673,5 3.613,6 5.613,7 3.613,9 2.117,11 1.058,12 1.058,13 1.692,14 1.751,15 1.653,16 1.264,17 1.644,18 1.68,19 1.792,21 1.53,22 1,23 1.07,27 20.85,28 85.286,29 -0.127,30 16.21,32 8.879,33 14.756,34 1,35 0.657,36 1.989,37 1.988,38 15.372,39 7.476,40 239.552,41 2.065,42 3.264,43 0.63,44 1.984,45 0.023,46 22.522,47 34,48 17.33,49 24.784,50 0.079,51 0.073,52 676.821,53 11.357,54 3.822,56 394.824,58 1.916,59 0.961,60 6.838,61 14.873,62 0.467,63 0.562,64 2.213,65 3.065,66 3.065,67 1.056,68 4.029,69 10,70 5.065,71 5.2}
{0 CHEMBL1983309,3 5.6,4 5.446,5 3.616,6 5.616,7 3.616,9 2.117,11 1.058,12 1.058,13 1.723,14 1.776,15 1.688,16 0.587,17 1.676,18 1.692,19 1.74,21 1.554,23 0.994,27 5.929,28 56.857,29 -0.142,30 6.545,32 3.201,33 10,35 0.735,36 1.607,37 1.591,38 6.455,39 9.69,40 138.688,41 1.824,42 2.736,43 0.705,44 1.631,45 0.042,46 6.896,47 13,48 6.759,49 6.384,50 0.145,51 0.18,52 141.857,53 5.453,54 3.305,55 3,56 141.253,57 31.278,58 1.554,59 1.008,60 3.187,61 5.529,62 0.493,63 0.608,64 1.391,65 2.964,66 2.964,67 1.097,68 3.937,69 4,70 4.964,71 5.2}
{0 CHEMBL1983449,3 7.5,4 3.807,5 3.602,6 5.602,7 3.602,9 1.59,11 0.795,12 0.795,13 0.124,14 0.079,15 0.194,16 0.871,17 0.302,18 0.469,19 0.722,21 1.523,23 1.173,27 8.342,28 47.381,29 -0.13,30 6.874,31 2,32 4.359,33 10.087,35 0.681,36 1.838,37 1.785,38 6.259,39 7.684,40 153.416,41 1.093,42 2.752,43 0.655,44 1.855,45 0.032,46 9.543,47 17,48 7.211,49 9.936,50 0.144,51 0.153,52 160.531,53 5.289,54 3.33,55 1,56 176.567,58 1.585,59 1.047,60 3.552,61 5.363,62 0.472,63 0.565,64 1.49,65 3.151,66 3.151,67 1.198,68 3.94,69 8,70 5.151,71 5.2}
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{0 CHEMBL1983923,3 13.2,4 1.785,5 3.179,6 5.179,7 3.179,9 1.2,11 0.8,12 0.8,13 0.129,14 0.084,15 0.195,16 0.9,17 0.292,18 0.438,19 0.679,21 1.464,22 1,23 1.083,27 13.043,28 85.286,29 -0.067,30 7.776,32 6.267,33 10.286,34 2,35 0.658,36 1.87,37 1.823,38 8.394,39 7.085,40 217.341,41 1.176,42 2.683,43 0.621,44 1.884,45 0.026,46 12.457,47 25,48 9.975,49 15.345,50 0.103,51 0.075,52 286.887,53 6.672,54 3.354,55 2,56 270.735,58 1.778,59 1.056,60 4.229,61 7.328,62 0.475,63 0.581,64 1.5,65 2.767,66 2.767,67 1.053,68 3.953,69 7,70 4.767,71 5.2}
{0 CHEMBL1983932,3 11.1,4 5.137,5 3.571,6 5.571,7 3.571,9 2.912,11 1.656,12 1.656,13 6.092,14 7.084,15 5.114,16 0.677,17 4.165,18 3.275,19 2.508,21 1.517,23 0.915,27 5.928,28 66.334,29 -0.309,30 6.48,32 3.001,33 10.043,35 0.725,36 1.678,37 1.655,38 5.789,39 10.368,40 177.804,41 1.985,42 2.757,43 0.699,44 1.694,45 0.066,46 7.209,47 13,48 5.971,49 6.812,50 0.143,51 0.187,52 191.205,53 4.652,54 3.301,55 2,56 129.482,57 45.954,58 1.52,59 0.773,60 2.816,61 4.396,62 0.504,63 0.6,64 1.531,65 3,66 3,67 0.861,68 3.91,69 3,70 5,71 5.2}
{0 CHEMBL1983945,3 10,4 5.566,5 3.726,6 5.726,7 3.726,9 3.416,11 1.953,12 1.953,13 8.066,14 9.392,15 6.751,16 1.023,17 5.456,18 4.198,19 3.019,21 1.509,23 1.108,27 12.429,28 94.334,29 -0.156,30 8.813,32 5.294,33 13.138,34 1,35 0.691,36 1.933,37 1.903,38 9.19,39 7.67,40 256.058,41 2.027,42 3.095,43 0.661,44 1.94,45 0.061,46 12.203,47 21,48 9.521,49 13.036,50 0.116,51 0.053,52 294.138,53 6.768,54 3.673,56 200.109,58 1.835,59 0.984,60 4.064,61 8.012,62 0.477,63 0.543,64 2.143,65 3.041,66 3.041,67 1.107,68 3.992,69 9,70 5.041,71 5.2}
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{0 CHEMBL1984586,3 11.4,4 5.197,5 3.568,6 5.568,7 3.568,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.854,17 4.156,18 3.244,19 2.415,21 1.533,23 1.066,27 8.729,28 120.447,29 0.004,30 7.895,32 4.06,33 11.815,35 0.693,36 1.898,37 1.8,38 6.989,39 8.169,40 236.137,41 1.758,42 2.898,43 0.675,44 1.929,45 0.055,46 10.112,47 17,48 7.769,49 10.096,50 0.119,51 0.097,52 261.15,53 5.897,54 3.494,55 1,56 153.024,58 1.553,59 1.225,60 3.433,61 5.438,62 0.469,63 0.539,64 1.923,65 3.187,66 3.187,67 1.133,68 3.97,69 10,70 5.187,71 5.2}
{0 CHEMBL1984633,3 7.3,4 5.443,5 3.591,6 5.591,7 3.591,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 0.839,17 1.674,18 1.614,19 1.594,21 1.521,23 1.012,27 8.847,28 56.857,29 0.002,30 8.903,32 4.418,33 10.792,35 0.705,36 1.746,37 1.736,38 7.564,39 8.279,40 173.897,41 1.661,42 2.907,43 0.668,44 1.755,45 0.042,46 10.601,47 17,48 8.559,49 9.922,50 0.138,51 0.114,52 173.622,53 6.141,54 3.426,55 1,56 188.338,57 31.278,58 1.564,59 0.846,60 3.782,61 6.578,62 0.488,63 0.592,64 1.726,65 2.839,66 2.839,67 1.081,68 3.939,69 6,70 4.839,71 5.2}
{0 CHEMBL1984700,3 10.5,4 6.793,5 3.43,6 5.43,7 3.43,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.367,16 1.061,17 0.47,18 0.597,19 0.763,21 1.551,22 1,23 0.978,27 11.893,28 89.636,29 0.038,30 8.356,32 5.982,33 10.303,34 1,35 0.657,36 1.941,37 1.924,38 9.725,39 7.974,40 227.02,41 1.029,42 2.717,43 0.642,44 1.95,45 0.024,46 11.322,47 24,48 9.607,49 13.897,50 0.095,51 0.192,52 275.712,53 7.912,54 3.318,55 1,56 288.884,58 1.862,59 1.092,60 4.853,61 11.672,62 0.459,63 0.566,64 1.543,65 3.198,66 3.198,67 0.962,68 3.894,69 1,70 5.198,71 5.2}
{0 CHEMBL1984711,3 8.6,4 1.977,5 3.375,6 5.375,7 3.375,9 1.72,11 0.86,12 0.86,13 0.684,14 0.546,15 0.845,16 0.901,17 1.029,18 1.237,19 1.478,21 1.483,22 2,23 0.991,27 14.006,28 37.905,29 0.084,30 9.169,32 6.75,33 13.226,34 2,35 0.642,36 1.895,37 1.823,38 9.585,39 7.337,40 211.954,41 1.805,42 3.1,43 0.617,44 1.924,45 0.025,46 13.194,47 27,48 10.411,49 15.188,50 0.099,51 0.105,52 328.193,53 8.44,54 3.675,55 2,56 294.278,58 1.608,59 0.819,60 5.055,61 8.153,62 0.462,63 0.58,64 2.104,65 2.886,66 2.886,67 1.052,68 3.956,69 5,70 4.886,71 5.4}
{0 CHEMBL1984788,3 9.1,4 6.76,5 3.56,6 5.56,7 3.56,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 1.076,17 0.993,18 1.022,19 1.063,21 1.573,23 0.996,27 12.302,28 65.392,29 -0.129,30 8.813,32 4.563,33 10.231,34 1,35 0.69,36 1.9,37 1.899,38 9.658,39 8.474,40 174.64,41 1.176,42 2.782,43 0.664,44 1.898,45 0.034,46 11.014,47 18,48 9.329,49 12.355,50 0.123,51 0.139,52 235.166,53 6.873,54 3.318,55 1,56 179.756,58 1.513,59 0.974,60 3.747,61 6.383,62 0.478,63 0.567,64 1.769,65 3.117,66 3.117,67 1.032,68 3.98,69 8,70 5.117,71 5.2}
{0 CHEMBL1984842,3 9.5,4 5.631,5 3.386,6 5.386,7 3.386,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.367,16 1.116,17 0.47,18 0.597,19 0.763,21 1.547,22 1,23 1.152,27 16.206,28 99.112,29 -0.113,30 9.465,32 7.354,33 11.529,34 1,35 0.651,36 1.975,37 1.972,38 11.593,39 7.375,40 231.968,41 1.029,42 2.918,43 0.623,44 1.967,45 0.023,46 14.116,47 29,48 11.736,49 17.81,50 0.092,51 0.165,52 290.224,53 9.052,54 3.468,55 1,56 332.78,58 1.901,59 1.194,60 5.483,61 11.715,62 0.466,63 0.582,64 1.737,65 3.179,66 3.179,67 1.245,68 3.901,69 2,70 5.179,71 5.2}
{0 CHEMBL1985074,3 6.9,4 4.768,5 4.329,6 6.329,7 4.329,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.679,17 9.348,18 7.187,19 5.043,21 1.742,23 0.826,27 6.798,28 28.429,29 -0.38,30 5.682,32 2.851,33 6.889,35 0.751,36 1.51,37 1.523,38 6.062,39 9.613,40 95.471,41 3.027,42 2.288,43 0.704,44 1.434,45 0.148,46 6.08,47 11,48 5.943,49 6.331,50 0.216,51 0.169,52 93.864,53 5.109,54 2.798,56 117.711,57 32.22,58 1.32,59 1.726,60 2.48,61 4.281,62 0.51,63 0.631,64 1.123,65 3.12,66 3.12,67 0.834,68 3.756,69 8,70 5.12,71 6.3}
{0 CHEMBL1985092,3 7,4 3.625,5 3.278,6 5.278,7 3.278,9 0.8,11 0.4,12 0.4,16 1.033,17 0.001,18 0.008,19 0.05,21 1.5,22 1,23 1.071,27 9.204,28 113.715,29 0.239,30 7.242,32 3.855,33 9.185,34 2,35 0.724,36 1.944,37 1.955,38 7.829,39 8.787,40 185.95,41 0.278,42 2.696,43 0.698,44 1.936,45 0.013,46 9.049,47 16,48 7.839,49 9.63,50 0.109,51 0.106,52 256.036,53 5.655,54 3.208,56 141.253,58 1.443,59 1.06,60 3.48,61 8.435,62 0.484,63 0.552,64 1.465,65 3.178,66 3.178,67 1.079,68 3.909,69 11,70 5.178,71 5.2}
{0 CHEMBL1985095,3 14.3,4 4.614,5 3.563,6 5.563,7 3.563,9 3.388,11 1.934,12 1.934,13 7.949,14 9.254,15 6.654,16 1.025,17 5.38,18 4.141,19 2.977,21 1.571,23 1.014,27 9.659,28 108.278,29 0.006,30 9.633,32 3.993,33 10.25,34 2,35 0.734,36 1.971,37 1.878,38 8.997,39 8.97,40 260.015,41 1.984,42 2.735,43 0.708,44 1.965,45 0.052,46 10.856,47 17,48 10.251,49 11.783,50 0.096,51 0.073,52 219.003,53 6.691,54 3.356,56 141.253,57 31.278,58 1.698,59 0.975,60 3.772,61 9.397,62 0.483,63 0.549,64 1.469,65 3.215,66 3.215,67 0.997,68 4.1,69 13,70 5.215,71 5.2}
{0 CHEMBL1985311,3 10.6,4 5.837,5 3.575,6 5.575,7 3.575,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.112,16 0.98,17 4.159,18 3.259,19 2.474,21 1.548,23 1.038,27 9.829,28 170.343,29 0.021,30 7.938,32 4.292,33 12.103,34 1,35 0.685,36 1.881,37 1.885,38 8.06,39 8.329,40 232.519,41 1.942,42 2.915,43 0.673,44 1.879,45 0.052,46 10.099,47 18,48 8.858,49 10.973,50 0.112,51 0.101,52 285.933,53 6.523,54 3.524,56 156.213,58 1.544,59 0.963,60 3.79,61 6.373,62 0.464,63 0.525,64 1.962,65 3.18,66 3.18,67 1.06,68 3.979,69 12,70 5.18,71 5.6}
{0 CHEMBL1985406,3 7.9,4 5.956,5 3.598,6 5.598,7 3.598,9 3.306,11 1.907,12 1.907,13 7.771,14 9.051,15 6.501,16 0.957,17 5.25,18 4.037,19 2.904,21 1.56,23 0.894,27 8.446,28 56.857,29 0.07,30 6.084,32 3.908,33 9.304,34 1,35 0.676,36 1.849,37 1.855,38 7.074,39 8.299,40 158.451,41 1.953,42 2.703,43 0.664,44 1.844,45 0.076,46 6.81,47 15,48 6.56,49 7.754,50 0.144,51 0.132,52 126.112,53 5.81,54 3.205,56 182.945,58 1.562,59 1.027,60 3.433,61 4.879,62 0.461,63 0.543,64 1.535,65 3.091,66 3.091,67 0.941,68 3.91,69 8,70 5.091,71 5.2}
{0 CHEMBL1985566,1 9.081,3 5.4,4 6.148,5 4.057,6 6.057,7 4.057,9 5.034,10 1,11 2.517,12 2.517,13 11.769,14 13.615,15 9.923,16 1.22,17 8.079,18 6.244,19 4.472,20 2.169,21 1.584,22 1,23 0.974,24 1,25 1,26 1,27 19.133,28 123.191,29 -0.07,30 18.446,31 1,32 8.433,33 18.762,34 1,35 0.682,36 2.013,37 2.01,38 14.871,39 7.577,40 286.085,41 3.074,42 3.677,43 0.653,44 2.011,45 0.054,46 25.156,47 32,48 17.008,49 22.466,50 0.086,51 0.062,52 653.651,53 11.446,54 4.136,56 353.133,58 1.899,59 1.046,60 6.789,61 13.165,62 0.475,63 0.559,64 3.202,65 3.092,66 3.092,67 0.969,68 3.981,69 16,70 5.092,71 5.2}
{0 CHEMBL1985580,3 7.7,4 5.655,5 3.726,6 5.726,7 3.726,9 3.416,11 1.953,12 1.953,13 8.066,14 9.392,15 6.751,16 1.007,17 5.456,18 4.198,19 3.019,21 1.498,23 1.071,27 13.464,28 113.715,29 -0.138,30 10.05,32 5.725,33 13.233,35 0.699,36 1.928,37 1.899,38 10.012,39 7.587,40 259.082,41 2.027,42 3.083,43 0.664,44 1.935,45 0.059,46 13.756,47 22,48 10.677,49 14.449,50 0.113,51 0.051,52 382.971,53 7.248,54 3.677,56 223.651,58 1.792,59 0.911,60 4.39,61 8.964,62 0.481,63 0.547,64 2.167,65 3.049,66 3.049,67 1.059,68 3.99,69 19,70 5.049,71 5.2}
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{0 CHEMBL1986499,3 13,4 5.52,5 3.296,6 5.296,7 3.296,9 1.043,11 0.522,12 0.522,13 0.001,15 0.003,16 1.062,17 0.011,18 0.039,19 0.138,21 1.528,23 1.066,27 9.753,28 146.612,29 0.297,30 7.077,32 4.331,33 9.345,34 2,35 0.707,36 1.955,37 1.964,38 7.891,39 8.358,40 248.26,41 0.434,42 2.705,43 0.689,44 1.948,45 0.016,46 9.201,47 17,48 7.844,49 10.024,50 0.1,51 0.05,52 247.151,53 6.128,54 3.228,56 179.756,58 1.566,59 1.173,60 3.667,61 8.849,62 0.472,63 0.53,64 1.529,65 3.172,66 3.172,67 1.109,68 4.037,69 8,70 5.172,71 6.4}
{0 CHEMBL1986530,3 10.3,4 6.641,5 3.733,6 5.733,7 3.733,9 2.293,11 1.2,12 1.2,13 2.864,14 3.098,15 2.655,16 1.17,17 2.474,18 2.324,19 2.213,21 1.581,23 1.014,27 16.153,28 37.905,29 0.199,30 11.45,31 1,32 6.564,33 13.182,35 0.664,36 1.964,37 1.951,38 11.824,39 7.734,40 187.395,41 2.187,42 3.095,43 0.642,44 1.967,45 0.032,46 15.594,47 25,48 11.622,49 15.845,50 0.101,51 0.062,52 510.227,53 8.609,54 3.671,56 297.467,58 1.804,59 1.063,60 5.085,61 11.109,62 0.465,63 0.553,64 2.248,65 3.121,66 3.121,67 1.08,68 3.971,69 10,70 5.121,71 5.2}
{0 CHEMBL1986597,3 8.5,4 5.92,5 4.726,6 6.726,7 4.726,9 2.117,11 1.058,12 1.058,13 1.923,14 1.969,15 1.887,16 1.113,17 1.863,18 1.856,19 1.871,21 1.596,23 1.038,27 13.924,28 110.046,29 0.006,30 11.498,32 5.746,33 14.917,34 1,35 0.692,36 2.003,37 1.975,38 12.909,39 8.569,40 233.522,41 1.94,42 3.274,43 0.671,44 2,45 0.026,46 13.284,47 23,48 12.982,49 13.837,50 0.118,51 0.102,52 498.355,53 9.08,54 3.844,55 1,56 223.651,58 1.89,59 1.083,60 5.382,61 11.112,62 0.472,63 0.553,64 2.319,65 3.218,66 3.218,67 1.241,68 4.075,69 5,70 5.218,71 5.8}
{0 CHEMBL1986603,3 13.2,4 5.164,5 3.598,6 5.598,7 3.598,9 3.306,11 1.907,12 1.907,13 7.942,14 9.182,15 6.722,16 0.846,17 5.535,18 4.398,19 3.348,21 1.526,23 0.923,27 9.641,28 65.905,29 -0.232,30 8.504,32 5.147,33 15.438,34 1,35 0.686,36 1.742,37 1.76,38 8.382,39 8.52,40 233.412,41 2.472,42 3.382,43 0.664,44 1.749,45 0.054,46 10.028,47 21,48 9.82,49 11.293,50 0.103,51 0.11,52 118.052,53 7.193,54 3.885,55 2,56 211.88,57 31.278,58 1.717,59 1.096,60 4.425,61 7.377,62 0.473,63 0.571,64 2.563,65 2.89,66 2.89,67 0.85,68 3.934,69 6,70 4.89,71 5.2}
{0 CHEMBL1986781,3 11.5,4 5.42,5 3.668,6 5.668,7 3.668,9 3.348,11 1.94,12 1.94,13 7.976,14 9.292,15 6.67,16 0.911,17 5.382,18 4.132,19 2.97,21 1.537,22 1,23 0.921,27 11.994,28 68.168,29 0.033,30 9.278,32 5.291,33 12.194,34 1,35 0.673,36 1.906,37 1.847,38 9.132,39 8.086,40 199.259,41 2.08,42 3.017,43 0.657,44 1.923,45 0.055,46 13.029,47 21,48 9.423,49 12.668,50 0.105,51 0.078,52 274.22,53 7.22,54 3.531,55 1,56 250.382,58 1.686,59 0.976,60 4.296,61 8.528,62 0.463,63 0.547,64 1.761,65 3.167,66 3.167,67 0.916,68 3.962,69 2,70 5.167,71 5.2}
{0 CHEMBL1986869,3 13.2,4 5.519,5 3.623,6 5.623,7 3.623,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.831,17 1.422,18 1.338,19 1.255,21 1.56,23 0.956,27 5.907,28 78.451,29 -0.241,30 6.648,32 3.073,33 10.6,35 0.759,36 1.734,37 1.745,38 6.247,39 9.671,40 194.648,41 1.176,42 2.884,43 0.719,44 1.744,45 0.038,46 6.055,47 13,48 8.189,49 7.693,50 0.129,51 0.099,52 145.368,53 5.486,54 3.384,55 1,56 117.711,57 62.555,58 1.517,59 1.366,60 3.102,61 5.88,62 0.5,63 0.593,64 1.824,65 3.05,66 3.05,67 1.005,68 3.885,69 5,70 5.017,71 5.2}
{0 CHEMBL1986943,3 11.9,4 3.617,5 3.205,6 5.205,7 3.205,9 0.8,11 0.4,12 0.4,16 0.825,17 0.001,18 0.008,19 0.05,21 1.514,22 1,23 0.94,27 11.743,28 80.16,29 0.037,30 6.673,32 4.515,33 9.958,34 1,35 0.683,36 1.878,37 1.789,38 8.479,39 8.187,40 157.016,41 0.278,42 2.736,43 0.651,44 1.9,45 0.015,46 9.553,47 18,48 7.872,49 11.248,50 0.119,51 0.091,52 207.371,53 6.294,54 3.289,56 176.567,57 39.149,58 1.53,59 1.339,60 3.484,61 6.253,62 0.481,63 0.575,64 1.465,65 3.088,66 3.088,67 0.933,68 3.952,69 4,70 5.088,71 6.8}
{0 CHEMBL1986970,3 11.8,4 6.281,5 3.733,6 5.733,7 3.733,9 2.293,11 1.2,12 1.2,13 2.576,14 2.865,15 2.309,16 1.077,17 2.072,18 1.878,19 1.754,21 1.524,23 1.111,27 11.645,28 75.81,29 0.031,30 7.317,32 5.636,33 9.414,34 2,35 0.667,36 1.884,37 1.855,38 8.405,39 7.657,40 205.677,41 1.775,42 2.682,43 0.643,44 1.896,45 0.038,46 10.606,47 22,48 8.912,49 12.853,50 0.117,51 0.098,52 170.442,53 6.572,54 3.247,55 4,56 247.193,58 1.639,59 1.143,60 4.337,61 9.828,62 0.468,63 0.564,64 1.463,65 3.174,66 3.174,67 1.173,68 4.015,69 5,70 5.174,71 5.2}
{0 CHEMBL1987007,3 9.1,4 5.558,5 3.587,6 5.587,7 3.587,9 2.117,11 1.058,12 1.058,13 1.613,14 1.698,15 1.533,16 0.825,17 1.462,18 1.406,19 1.379,21 1.543,23 1.056,27 12.534,28 56.857,29 -0.08,30 9.117,32 5.318,33 10.667,34 1,35 0.687,36 1.711,37 1.677,38 9.365,39 7.738,40 143.891,41 1.435,42 2.907,43 0.641,44 1.72,45 0.039,46 11.596,47 20,48 10.179,49 13.54,50 0.133,51 0.071,52 152.375,53 7.008,54 3.398,56 211.88,57 31.278,58 1.598,59 0.965,60 4.148,61 7.114,62 0.49,63 0.6,64 1.694,65 3.078,66 3.078,67 1.103,68 3.936,69 6,70 5.078,71 5.2}
{0 CHEMBL1987009,3 7,4 5.518,5 3.577,6 5.577,7 3.577,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 0.821,17 1.674,18 1.614,19 1.594,21 1.537,23 1.078,27 9.464,28 94.762,29 0.024,30 8.512,32 4.418,33 11.577,34 1,35 0.719,36 1.73,37 1.686,38 8.081,39 8.453,40 182.412,41 1.661,42 2.95,43 0.683,44 1.743,45 0.037,46 10.108,47 17,48 8.215,49 9.505,50 0.123,51 0.066,52 171.697,53 6.478,54 3.515,56 176.567,57 31.278,58 1.59,59 1.152,60 3.853,61 7.075,62 0.488,63 0.576,64 1.84,65 3.078,66 3.078,67 1.19,68 3.95,69 8,70 5.078,71 5.2}
{0 CHEMBL1987034,1 8.545,3 13.6,4 4.499,5 4.662,6 6.662,7 4.662,9 5.199,10 1,11 2.599,12 2.599,13 12.157,14 14.067,15 10.246,16 0.782,17 8.336,18 6.427,19 4.534,20 1.908,21 1.615,22 2,23 1.075,24 1,25 1,26 1,27 7.095,28 112.909,29 0.152,30 7.929,31 1,32 3.285,33 13.103,34 2,35 0.732,36 1.853,37 1.713,38 7.749,39 10.804,40 257.585,41 2.792,42 3.112,43 0.707,44 1.866,45 0.084,46 8.759,47 15,48 8.118,49 8.242,50 0.15,51 0.192,52 310.46,53 6.421,54 3.653,56 129.482,57 45.954,58 1.572,59 1.155,60 3.79,61 6.491,62 0.502,63 0.594,64 2.252,65 3.009,66 3.009,67 1.091,68 3.964,69 3,70 5.009,71 8.4}
{0 CHEMBL1987054,3 10.1,4 2.447,5 3.387,6 5.387,7 3.387,9 1.72,11 0.86,12 0.86,13 0.504,14 0.395,15 0.634,16 1.137,17 0.788,18 0.966,19 1.175,21 1.528,22 1,23 0.959,27 17.107,28 89.755,29 -0.06,30 12.912,32 7.638,33 16.333,34 2,35 0.672,36 1.998,37 1.991,38 12.717,39 7.943,40 257.784,41 1.454,42 3.468,43 0.644,44 1.995,45 0.02,46 18.188,47 30,48 13.831,49 19.386,50 0.077,51 0.114,52 466.247,53 10.476,54 3.908,55 2,56 317.82,58 1.812,59 0.987,60 5.999,61 13.43,62 0.475,63 0.58,64 2.838,65 3.222,66 3.222,67 0.991,68 4.092,69 7,70 5.222,71 5.2}
{0 CHEMBL1987359,3 5.9,4 5.857,5 3.928,6 5.928,7 3.928,9 2.549,11 1.349,12 1.349,13 3.846,14 4.387,15 3.326,16 1.128,17 2.838,18 2.4,19 2.042,21 1.552,22 1,23 0.778,27 14.679,28 108.075,29 -0.111,30 9.92,32 6.417,33 11.308,35 0.642,36 1.883,37 1.876,38 10.12,39 6.97,40 132.527,41 1.863,42 3.013,43 0.608,44 1.866,45 0.048,46 14.233,47 25,48 10.006,49 14.265,50 0.14,51 0.123,52 161.065,53 7.644,54 3.378,55 1,56 258.964,58 1.675,59 1.129,60 4.665,61 9.289,62 0.469,63 0.579,64 2.071,65 3.369,66 3.369,67 0.833,68 3.785,69 9,70 5.369,71 5.7}
{0 CHEMBL1987533,3 9.4,4 5.01,5 3.642,6 5.642,7 3.642,9 3.497,11 1.987,12 1.987,13 8.273,14 9.631,15 6.927,16 0.711,17 5.601,18 4.312,19 3.1,21 1.529,23 1.065,27 6.749,28 75.381,29 0.061,30 4.801,32 2.974,33 8.8,34 1,35 0.723,36 1.663,37 1.593,38 5.718,39 8.93,40 148.117,41 2.076,42 2.528,43 0.695,44 1.704,45 0.09,46 5.606,47 12,48 6.018,49 7.431,50 0.166,51 0.107,52 117.985,53 4.255,54 3.144,56 117.711,58 1.506,59 1.148,60 2.501,61 3.508,62 0.487,63 0.566,64 1.34,65 2.891,66 2.891,67 1.015,68 3.946,69 8,70 4.891,71 5.2}
{0 CHEMBL1987648,3 11.3,4 5.475,5 3.363,6 5.363,7 3.363,9 0.8,11 0.4,12 0.4,16 1.032,17 0.001,18 0.008,19 0.05,21 1.549,22 1,23 1.136,27 12.575,28 99.112,29 -0.035,30 9.033,32 5.815,33 10.733,34 1,35 0.666,36 1.975,37 1.953,38 9.266,39 7.67,40 216.492,41 0.278,42 2.857,43 0.641,44 1.967,45 0.012,46 13.1,47 23,48 9.957,49 14.647,50 0.102,51 0.151,52 248.232,53 7.353,54 3.334,55 1,56 262.153,58 1.809,59 1.187,60 4.448,61 9.798,62 0.467,63 0.57,64 1.551,65 3.183,66 3.183,67 1.204,68 3.902,69 2,70 5.183,71 5.2}
{0 CHEMBL1987679,3 8,4 4.357,5 3.734,6 5.734,7 3.734,9 3.889,11 2.186,12 2.186,13 9.436,14 10.981,15 7.902,16 1.069,17 6.388,18 4.911,19 3.523,21 1.558,23 1.072,27 12.097,28 84.857,29 0.084,30 9.347,32 4.987,33 13.233,34 1,35 0.69,36 1.895,37 1.886,38 9.63,39 8.009,40 228.838,41 2.399,42 3.111,43 0.669,44 1.895,45 0.064,46 12.325,47 20,48 10.303,49 13.57,50 0.11,51 0.052,52 263.076,53 7.294,54 3.684,56 188.338,58 1.775,59 0.987,60 4.239,61 8.202,62 0.47,63 0.536,64 2.033,65 3.03,66 3.03,67 1.068,68 4.038,69 9,70 5.03,71 5.3}
{0 CHEMBL1987756,3 6.4,4 5.57,5 4.705,6 6.705,7 4.705,9 1.315,11 0.657,12 0.657,13 0.013,14 0.006,15 0.03,16 1.079,17 0.067,18 0.149,19 0.317,21 1.502,23 0.976,27 13.091,28 134.986,29 -0.097,30 10.028,32 5.186,33 13.519,35 0.719,36 1.895,37 1.851,38 11.53,39 9.498,40 183.313,41 0.623,42 3.066,43 0.669,44 1.877,45 0.023,46 11.225,47 20,48 11.539,49 12.593,50 0.162,51 0.143,52 261.451,53 7.458,54 3.651,56 211.88,57 45.954,58 1.649,59 1.039,60 4.535,61 8.22,62 0.52,63 0.63,64 1.942,65 3.178,66 3.178,67 1.03,68 3.953,69 12,70 5.178,71 5.2}
{0 CHEMBL1987793,3 1.7,4 5.445,5 3.697,6 5.697,7 3.697,9 2.873,11 1.437,12 1.437,13 5.05,14 5.77,15 4.335,16 1.219,17 3.635,18 2.965,19 2.362,21 1.536,23 0.891,27 15.707,28 142.144,29 -0.031,30 14.28,32 6.811,33 11.97,34 1,35 0.698,36 2.006,37 2.005,38 12.035,39 7.509,40 190.43,41 1.888,42 2.831,43 0.664,44 2.005,45 0.039,46 18.094,47 25,48 12.979,49 16.602,50 0.1,51 0.073,52 347.671,53 9.099,54 3.468,55 1,56 282.506,58 1.867,59 0.814,60 5.467,61 15.171,62 0.482,63 0.56,64 1.493,65 3.356,66 3.356,67 0.899,68 4.09,69 24,70 5.356,71 5.2}
{0 CHEMBL1987910,3 8.9,4 5.181,5 4.47,6 6.47,7 4.47,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.989,17 10.736,18 8.065,19 5.464,21 1.536,23 0.996,27 8.464,28 125.832,29 -0.071,30 10.286,32 3.674,33 12.133,35 0.717,36 1.915,37 1.869,38 8.296,39 9.522,40 220.439,41 3.244,42 2.915,43 0.707,44 1.915,45 0.116,46 9.486,47 15,48 9.172,49 9.426,50 0.135,51 0.113,52 295.44,53 7.027,54 3.517,56 174.362,57 31.278,58 1.459,59 1.095,60 3.894,61 6.272,62 0.471,63 0.538,64 1.991,65 3.131,66 3.131,67 0.965,68 3.979,69 10,70 5.131,71 5.2}
{0 CHEMBL1988075,3 9.3,4 5.313,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.045,17 4.156,18 3.244,19 2.415,21 1.531,23 0.963,27 10.646,28 135.309,29 -0.06,30 12.229,32 5.001,33 14.529,35 0.725,36 1.973,37 1.976,38 9.62,39 8.696,40 271.877,41 1.758,42 3.307,43 0.696,44 1.967,45 0.044,46 13.182,47 20,48 11.24,49 13.202,50 0.094,51 0.092,52 433.897,53 7.868,54 3.794,56 203.298,57 31.278,58 1.802,59 1.15,60 4.482,61 8.504,62 0.484,63 0.558,64 2.353,65 3.205,66 3.205,67 0.895,68 3.959,69 13,70 5.205,71 5.2}
{0 CHEMBL1988153,3 8.3,4 4.651,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.416,16 0.751,17 10.734,18 8.058,19 5.425,21 1.53,23 1.036,27 4.76,28 47.381,29 0.064,30 5.678,32 2.658,33 10.808,35 0.728,36 1.703,37 1.697,38 6.442,39 10.483,40 160.562,41 3.106,42 2.907,43 0.735,44 1.716,45 0.132,46 4.685,47 10,48 6.624,49 4.818,50 0.154,51 0.113,52 152.406,53 5.77,54 3.386,56 162.591,57 31.278,58 1.458,59 1.367,60 3.314,61 5.707,62 0.464,63 0.541,64 1.808,65 2.963,66 2.963,67 1.19,68 3.934,69 2,70 4.963,71 5.4}
{0 CHEMBL1988163,3 12.2,4 4.495,5 4.662,6 6.662,7 4.662,9 0.8,11 0.4,12 0.4,16 0.917,17 0.001,18 0.008,19 0.05,21 1.535,22 1,23 1.032,27 8.132,28 140.909,29 0.311,30 6.751,32 3.584,33 10.269,34 2,35 0.717,36 1.9,37 1.837,38 7.416,39 8.913,40 210.881,41 0.278,42 2.763,43 0.692,44 1.904,45 0.014,46 7.936,47 15,48 7.058,49 8.086,50 0.161,51 0.085,52 225.008,53 5.909,54 3.359,55 1,56 141.253,58 1.564,59 1.062,60 3.589,61 5.665,62 0.481,63 0.553,64 1.598,65 3.011,66 3.011,67 1.047,68 4.029,69 3,70 5.011,71 7.4}
{0 CHEMBL1988173,3 6.1,4 6.006,5 4.38,6 6.38,7 4.38,9 4.129,11 2.538,12 2.538,13 11.189,14 13.043,15 9.346,16 1.01,17 7.528,18 5.772,19 4.163,21 1.554,23 1.045,27 12.025,28 165.875,29 -0.031,30 11.532,32 4.95,33 11.241,35 0.72,36 1.926,37 1.961,38 10.033,39 8.693,40 206.607,41 2.898,42 2.819,43 0.679,44 1.905,45 0.082,46 12.738,47 20,48 10.717,49 12.143,50 0.141,51 0.188,52 338.458,53 6.765,54 3.417,56 188.338,57 45.192,58 1.536,59 1.119,60 4.1,61 10.025,62 0.497,63 0.594,64 1.543,65 3.56,66 3.56,67 1.087,68 3.956,69 15,70 5.56,71 5.3}
{0 CHEMBL1988300,3 11.1,4 2.224,5 3.299,6 5.299,7 3.299,16 1.041,21 1.512,23 0.963,27 9.504,28 168.206,29 -0.046,30 9.619,32 4.131,33 11.464,34 1,35 0.739,36 1.944,37 1.912,38 7.805,39 8.522,40 252.186,42 2.955,43 0.699,44 1.939,46 11.337,47 17,48 9.094,49 10.882,50 0.103,51 0.058,52 223.77,53 6.354,54 3.49,56 141.253,57 31.278,58 1.655,59 1.034,60 3.54,61 7.105,62 0.494,63 0.561,64 1.893,65 3.176,66 3.176,67 0.912,68 4.092,69 11,70 5.176,71 5.2}
{0 CHEMBL1988370,3 7.7,4 2.586,5 3.402,6 5.402,7 3.402,9 2.302,11 1.151,12 1.151,13 2.473,14 2.73,15 2.225,16 1.16,17 1.991,18 1.778,19 1.603,21 1.503,23 1.046,27 19.39,28 127.231,29 0.154,30 13.517,32 8.283,33 13.5,34 1,35 0.667,36 1.986,37 2.002,38 13.458,39 6.979,40 216.908,41 1.528,42 3.176,43 0.626,44 1.977,45 0.03,46 19.528,47 31,48 14.284,49 20.604,50 0.087,51 0.024,52 307.57,53 10.203,54 3.679,55 1,56 341.362,58 1.86,59 0.986,60 5.963,61 13.263,62 0.48,63 0.572,64 2.294,65 3.241,66 3.241,67 1.081,68 3.966,69 8,70 5.241,71 5.2}
{0 CHEMBL1988387,3 10.7,4 5.348,5 3.563,6 5.563,7 3.563,9 4.131,11 2.621,12 2.621,13 11.567,14 13.49,15 9.651,16 1.054,17 7.754,18 5.912,19 4.213,21 1.539,23 1.001,27 10.293,28 125.404,29 0.184,30 12.616,32 4.884,33 16.139,34 1,35 0.706,36 1.932,37 1.893,38 9.549,39 9.046,40 266.736,41 2.835,42 3.413,43 0.692,44 1.93,45 0.066,46 13.398,47 20,48 11.601,49 13.12,50 0.089,51 0.106,52 363.509,53 8.22,54 3.925,56 218.258,57 31.278,58 1.722,59 1.081,60 4.781,61 8.91,62 0.471,63 0.548,64 2.48,65 3.206,66 3.206,67 0.906,68 3.969,69 12,70 5.206,71 5.2}
{0 CHEMBL1988437,3 8.7,4 5.075,5 4.574,6 6.574,7 4.574,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.976,17 9.348,18 7.187,19 5.043,21 1.59,23 0.971,27 10.629,28 113.715,29 -0.097,30 8.362,32 4.667,33 12.286,34 1,35 0.727,36 1.933,37 1.936,38 9.306,39 8.402,40 220.503,41 3.027,42 3.067,43 0.689,44 1.928,45 0.095,46 10.076,47 18,48 8.717,49 9.532,50 0.148,51 0.061,52 256.996,53 6.503,54 3.561,56 188.338,57 32.22,58 1.681,59 0.92,60 3.899,61 7.871,62 0.492,63 0.573,64 2.265,65 3.022,66 3.022,67 1.11,68 3.935,69 10,70 5.022,71 5.5}
{0 CHEMBL1988537,3 5.3,4 6.241,5 4.632,6 6.632,7 4.632,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.884,17 9.348,18 7.189,19 5.057,21 1.648,23 0.867,27 7.305,28 75.81,29 -0.118,30 7.603,32 3.307,33 8.84,35 0.763,36 1.824,37 1.784,38 7.419,39 9.707,40 149.947,41 3.125,42 2.519,43 0.728,44 1.82,45 0.105,46 7.971,47 13,48 7.864,49 7.426,50 0.165,51 0.124,52 210.531,53 5.375,54 3.068,56 153.024,57 32.22,58 1.573,59 1.107,60 3.048,61 7.541,62 0.501,63 0.594,64 1.312,65 3.129,66 3.129,67 0.979,68 3.901,69 6,70 5.129,71 5.6}
{0 CHEMBL1988594,3 13.3,4 5.612,5 3.621,6 5.621,7 3.621,9 2.912,11 1.656,12 1.656,13 6.1,14 7.087,15 5.132,16 0.949,17 4.204,18 3.348,19 2.617,21 1.544,23 1.007,27 7.978,28 125.832,29 0.155,30 7.825,32 3.643,33 13.276,35 0.72,36 1.927,37 1.839,38 7.286,39 8.989,40 247.709,41 2.084,42 3.066,43 0.697,44 1.945,45 0.052,46 8.389,47 16,48 7.832,49 8.831,50 0.113,51 0.077,52 299.371,53 5.992,54 3.659,56 129.482,57 31.278,58 1.48,59 1.122,60 3.5,61 6.842,62 0.479,63 0.547,64 2.197,65 3.108,66 3.108,67 0.952,68 3.97,69 4,70 5.108,71 5.2}
{0 CHEMBL1988608,3 11.1,4 4.179,5 3.602,6 5.602,7 3.602,9 3.306,11 1.907,12 1.907,13 7.771,14 9.051,15 6.502,16 0.906,17 5.252,18 4.048,19 2.96,21 1.544,23 1.115,27 8.033,28 66.334,29 -0.176,30 6.562,31 2,32 4.092,33 11.75,34 1,35 0.688,36 1.864,37 1.795,38 6.589,39 8.343,40 194.854,41 2.201,42 2.968,43 0.676,44 1.89,45 0.062,46 7.995,47 17,48 7.205,49 9.612,50 0.116,51 0.115,52 174.777,53 5.57,54 3.541,56 153.024,58 1.705,59 0.876,60 3.658,61 6.44,62 0.464,63 0.535,64 1.839,65 3.153,66 3.153,67 1.088,68 3.992,69 4,70 5.153,71 5.5}
{0 CHEMBL1988717,3 14.5,4 5.268,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.968,17 10.736,18 8.065,19 5.464,21 1.548,23 1.076,27 9.659,28 117.755,29 0.339,30 8.456,32 4.535,33 15.528,34 2,35 0.684,36 1.897,37 1.836,38 8.509,39 8.955,40 279.887,41 3.244,42 3.419,43 0.686,44 1.913,45 0.096,46 10.127,47 19,48 9.99,49 11.715,50 0.112,51 0.128,52 364.411,53 7.1,54 3.885,56 221.447,58 1.737,59 1.057,60 4.272,61 7.424,62 0.455,63 0.522,64 2.639,65 3.145,66 3.145,67 1.097,68 3.988,69 6,70 5.145,71 5.2}
{0 CHEMBL1988838,3 12,4 4.515,5 4.662,6 6.662,7 4.662,9 3.615,11 2.014,12 2.014,13 8.466,14 9.844,15 7.101,16 0.947,17 5.756,18 4.451,19 3.237,21 1.543,22 2,23 1.122,27 9.356,28 112.909,29 0.181,30 8.146,32 4.674,33 13.233,34 2,35 0.677,36 1.902,37 1.867,38 8.154,39 8.57,40 256.481,41 2.304,42 3.099,43 0.657,44 1.907,45 0.063,46 10.748,47 20,48 8.114,49 10.399,50 0.146,51 0.164,52 324.926,53 7.322,54 3.676,56 164.795,58 1.635,59 1.006,60 4.266,61 7.839,62 0.469,63 0.56,64 2.316,65 3.009,66 3.009,67 1.097,68 3.973,69 3,70 5.009,71 6.2}
{0 CHEMBL1988995,3 14.3,4 6.474,5 3.397,6 5.397,7 3.397,16 0.955,21 1.571,23 0.889,27 7.413,28 68.168,29 -0.001,30 5.703,32 3.553,33 9.25,34 2,35 0.695,36 1.848,37 1.858,38 6.756,39 9.057,40 192.763,42 2.66,43 0.696,44 1.833,46 5.971,47 14,48 5.937,49 6.539,50 0.106,51 0.123,52 131.709,53 5.675,54 3.185,55 2,56 194.716,58 1.615,59 0.944,60 3.434,61 7.401,62 0.457,63 0.535,64 1.357,65 3.197,66 3.197,67 0.984,68 4.082,69 1,70 5.197,71 5.2}
{0 CHEMBL1989029,3 8.6,4 3.865,5 3.286,6 5.286,7 3.286,9 1.72,11 0.86,12 0.86,13 0.286,14 0.218,15 0.375,16 0.826,17 0.49,18 0.643,19 0.856,21 1.542,23 0.957,27 7.448,28 47.381,29 -0.228,30 4.744,31 1,32 3.81,33 7.9,34 1,35 0.671,36 1.735,37 1.717,38 5.837,39 7.695,40 141.319,41 1.163,42 2.364,43 0.647,44 1.752,45 0.039,46 6.424,47 15,48 5.59,49 7.732,50 0.149,51 0.142,52 48.045,53 4.959,54 2.979,56 153.024,58 1.417,59 1.106,60 3.108,61 5.045,62 0.468,63 0.565,64 1.03,65 3.062,66 3.062,67 0.966,68 3.912,69 6,70 5.062,71 5.4}
{0 CHEMBL1989069,3 9.5,4 5.048,5 4.472,6 6.472,7 4.472,9 6.545,11 3.272,12 3.272,13 14.919,14 17.29,15 12.548,16 0.334,17 10.177,18 7.807,19 5.44,21 1.709,23 1.04,27 4.253,28 37.476,29 -0.989,30 3.217,32 1.842,33 5,34 1,35 0.756,36 1.511,37 1.383,38 4.388,39 9.822,40 91.502,41 3.11,42 1.809,43 0.724,44 1.531,45 0.205,46 3.351,47 7,48 4.237,49 3.819,50 0.28,51 0.041,52 42.789,53 3.623,54 2.449,56 85.587,57 32.22,58 1.145,60 1.815,61 1.264,62 0.494,63 0.576,64 0.714,65 3.058,66 3.058,67 1.005,68 3.762,69 5,70 5.058,71 5.2}
{0 CHEMBL1989265,3 7,4 6.677,5 4.555,6 6.555,7 4.555,9 6.3,11 3.151,12 3.151,13 14.462,14 16.757,15 12.168,16 1.098,17 9.874,18 7.587,19 5.334,21 1.744,23 0.901,27 11.672,28 18.952,29 -0.053,30 10.371,32 4.668,33 8.4,35 0.676,36 1.785,37 1.813,38 9.846,39 8.452,40 102.74,41 3.289,42 2.517,43 0.651,44 1.771,45 0.113,46 11.465,47 18,48 11.598,49 13.265,50 0.163,51 0.185,52 95.471,53 7.397,54 3.015,55 4,56 191.527,57 32.22,58 1.66,59 1.294,60 4.184,61 8.114,62 0.473,63 0.579,64 1.344,65 3.31,66 3.31,67 0.882,68 3.894,69 3,70 5.31,71 5.2}
{0 CHEMBL1989474,3 13.3,4 4.985,5 3.181,6 5.181,7 3.181,16 0.733,21 1.519,23 1.017,27 5.346,28 56.429,29 0.192,30 4.028,32 2.82,33 7.632,34 1,35 0.7,36 1.763,37 1.714,38 4.576,39 8.476,40 155.507,42 2.42,43 0.686,44 1.783,46 5.152,47 11,48 4.624,49 5.731,50 0.151,51 0.088,52 111.177,53 3.589,54 2.943,55 2,56 144.442,58 1.371,59 0.821,60 2.41,61 5.04,62 0.468,63 0.541,64 1.125,65 3.098,66 3.098,67 1.023,68 3.86,69 4,70 5.098,71 5.2}
{0 CHEMBL1989518,3 9.1,4 1.916,5 2.928,6 4.928,7 2.928,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.894,17 0.469,18 0.593,19 0.739,21 1.421,23 0.982,27 7.532,28 47.381,29 0.014,30 4.52,32 3.742,33 9.167,35 0.668,36 1.766,37 1.767,38 5.468,39 7.313,40 168.352,41 0.908,42 2.738,43 0.635,44 1.756,45 0.045,46 6.468,47 15,48 5.207,49 7.312,50 0.154,51 0.047,52 124.168,53 4.29,54 3.217,56 153.024,58 1.437,59 0.919,60 2.801,61 4.109,62 0.474,63 0.555,64 1.519,65 2.641,66 2.641,67 0.942,68 3.854,69 4,70 4.588,71 5.2}
{0 CHEMBL1989569,3 9.1,4 4.532,5 3.546,6 5.546,7 3.546,9 1.96,11 0.98,12 0.98,13 1.086,14 1.026,15 1.157,16 1.059,17 1.243,18 1.348,19 1.481,21 1.524,23 1.099,27 10.13,28 66.334,29 -0.009,30 7.097,32 4.969,33 10.208,34 1,35 0.66,36 1.877,37 1.875,38 7.419,39 7.373,40 182.353,41 1.679,42 2.772,43 0.63,44 1.869,45 0.038,46 10.054,47 20,48 7.915,49 11.557,50 0.136,51 0.154,52 141.771,53 5.911,54 3.33,55 1,56 200.109,58 1.562,59 1.02,60 3.685,61 6.674,62 0.469,63 0.573,64 1.726,65 3.096,66 3.096,67 1.139,68 3.891,69 3,70 5.096,71 5.5}
{0 CHEMBL1989646,3 15.4,4 1.885,5 3.255,6 5.255,7 3.255,9 1.043,11 0.522,12 0.522,13 0.001,15 0.003,16 0.879,17 0.011,18 0.039,19 0.138,21 1.522,23 1.104,27 8.429,28 108.707,29 0.388,30 5.967,32 4.054,33 9.391,34 2,35 0.688,36 1.756,37 1.752,38 6.053,39 7.805,40 206.874,41 0.434,42 2.682,43 0.661,44 1.76,45 0.02,46 8.787,47 16,48 6.174,49 8.962,50 0.125,51 0.083,52 130.061,53 5.157,54 3.213,56 153.024,58 1.492,59 0.996,60 3.087,61 5.585,62 0.474,63 0.552,64 1.679,65 3.095,66 3.095,67 1.159,68 4.011,69 6,70 5.095,71 5.8}
{0 CHEMBL1989708,3 9.7,4 5.393,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.122,17 4.156,18 3.244,19 2.415,21 1.53,23 0.997,27 14.297,28 168.087,29 -0.126,30 12.802,32 6.597,33 15.278,34 1,35 0.697,36 1.94,37 1.907,38 11.513,39 8.043,40 265.865,41 1.758,42 3.398,43 0.662,44 1.938,45 0.041,46 15.289,47 26,48 13.344,49 17.344,50 0.089,51 0.119,52 353.473,53 9.393,54 3.864,56 247.193,57 31.278,58 1.867,59 1.156,60 5.424,61 10.204,62 0.483,63 0.575,64 2.571,65 3.207,66 3.207,67 0.912,68 3.98,69 13,70 5.207,71 5.2}
{0 CHEMBL1989805,1 9.631,3 10.3,4 5.861,5 4.723,6 6.67,7 4.723,9 6.301,10 1,11 3.151,12 3.151,13 14.482,14 16.768,15 12.205,16 0.667,17 9.943,18 7.712,19 5.556,20 1.982,21 1.716,23 0.901,24 1,25 1,26 1,27 6.044,28 70.86,29 -0.232,30 9.343,31 1,32 2.625,33 8.63,35 0.732,36 1.603,37 1.63,38 7.333,39 9.754,40 219.119,41 3.651,42 2.552,43 0.724,44 1.597,45 0.105,46 8.133,47 12,48 7.648,49 6.488,50 0.157,51 0.146,52 68.71,53 5.559,54 3.034,55 2,56 94.169,57 32.22,58 1.56,59 0.728,60 3.165,61 6.641,62 0.473,63 0.538,64 1.347,65 3.33,66 3.33,67 0.993,68 3.904,69 5,70 5.31,71 5.8}
{0 CHEMBL1989856,1 9.252,3 10.7,4 4.22,5 4.091,6 6.091,7 4.091,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.58,17 6.378,18 4.962,19 3.563,20 2.048,21 1.729,23 0.857,24 1,25 1,26 1,27 4.441,28 37.905,29 -0.136,30 4.623,31 1,32 2.141,33 6.158,34 1,35 0.722,36 1.494,37 1.508,38 4.224,39 8.974,40 139.448,41 2.228,42 2.076,43 0.717,44 1.486,45 0.097,46 4.16,47 9,48 4.876,49 5.086,50 0.195,51 0.177,52 71.349,53 3.544,54 2.649,55 3,56 94.169,58 1.329,59 1.042,60 2.167,61 2.773,62 0.467,63 0.531,64 0.831,65 3.253,66 3.253,67 1.011,68 3.791,69 1,70 5.253,71 7.2}
{0 CHEMBL1990212,3 11.6,4 2.13,5 3.351,6 5.351,7 3.351,9 1.72,11 0.86,12 0.86,13 0.504,14 0.395,15 0.634,16 0.915,17 0.788,18 0.966,19 1.175,21 1.526,22 1,23 0.929,27 7.349,28 85.286,29 -0.134,30 7.176,32 3.92,33 10.778,34 2,35 0.706,36 1.898,37 1.845,38 6.365,39 8.88,40 202.517,41 1.454,42 2.852,43 0.687,44 1.909,45 0.029,46 8.855,47 16,48 6.484,49 7.645,50 0.112,51 0.133,52 235.364,53 5.705,54 3.401,55 1,56 176.567,58 1.587,59 0.781,60 3.475,61 6.286,62 0.477,63 0.572,64 1.523,65 3.001,66 3.001,67 1.005,68 3.933,69 5,70 5.001,71 5.3}
{0 CHEMBL1990254,3 7,4 5.458,5 3.589,6 5.589,7 3.589,9 2.162,11 1.081,12 1.081,13 1.807,14 1.939,15 1.679,16 0.876,17 1.555,18 1.438,19 1.343,21 1.498,23 0.998,27 11.514,28 104.239,29 -0.068,30 8.626,32 4.934,33 10.833,35 0.688,36 1.849,37 1.839,38 8.387,39 7.382,40 209.58,41 1.331,42 2.872,43 0.651,44 1.851,45 0.042,46 11.862,47 19,48 8.38,49 11.392,50 0.138,51 0.064,52 265.175,53 6.096,54 3.414,56 188.338,58 1.717,59 1,60 3.715,61 6.494,62 0.481,63 0.551,64 1.778,65 2.932,66 2.932,67 1.021,68 3.951,69 12,70 4.932,71 5.2}
{0 CHEMBL1990288,3 10.4,4 5.412,5 3.329,6 5.329,7 3.329,9 1.315,11 0.657,12 0.657,13 0.013,14 0.006,15 0.03,16 0.913,17 0.067,18 0.149,19 0.317,21 1.517,22 1,23 0.939,27 10.196,28 115.549,29 0.053,30 8.128,32 4.552,33 11.433,34 1,35 0.703,36 1.913,37 1.857,38 8.268,39 8.322,40 232.716,41 0.623,42 2.911,43 0.685,44 1.926,45 0.019,46 10.514,47 18,48 7.954,49 10.023,50 0.098,51 0.056,52 265.625,53 6.493,54 3.455,55 1,56 215.069,58 1.716,59 0.97,60 3.932,61 8.277,62 0.471,63 0.539,64 1.633,65 3.167,66 3.167,67 0.968,68 3.974,69 7,70 5.167,71 5.2}
{0 CHEMBL1990346,3 11.1,4 1.917,5 3.243,6 5.243,7 3.243,16 0.452,21 1.534,23 0.997,27 5.957,28 99.231,29 -0.126,30 4.297,32 2.348,33 6.529,34 1,35 0.756,36 1.693,37 1.543,38 5.114,39 10.673,40 149.028,42 2.184,43 0.711,44 1.745,46 5.438,47 10,48 5.1,49 6.069,50 0.171,51 0.192,52 82.533,53 3.503,54 2.722,56 82.398,57 45.954,58 1.181,59 1.819,60 1.973,61 4.231,62 0.531,63 0.619,64 1.087,65 3.178,66 3.178,67 0.992,68 3.864,69 13,70 5.178,71 5.3}
{0 CHEMBL1990415,3 15.2,4 5.212,5 3.58,6 5.58,7 3.58,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.771,17 1.422,18 1.338,19 1.255,21 1.55,23 1.03,27 5.894,28 66.334,29 -0.128,30 4.325,32 2.597,33 9.227,34 1,35 0.72,36 1.709,37 1.657,38 5.043,39 8.767,40 188.56,41 1.176,42 2.698,43 0.709,44 1.748,45 0.042,46 5.058,47 11,48 4.775,49 5.446,50 0.143,51 0.032,52 152.816,53 3.878,54 3.206,56 105.94,58 1.438,59 0.864,60 2.39,61 3.488,62 0.47,63 0.52,64 1.43,65 3.063,66 3.063,67 1.094,68 3.922,69 5,70 5.063,71 5.4}
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{0 CHEMBL1990821,3 1.6,4 5.017,5 3.647,6 5.647,7 3.647,9 2.873,11 1.437,12 1.437,13 5.05,14 5.77,15 4.335,16 1.197,17 3.635,18 2.965,19 2.362,21 1.55,23 1.053,27 16.923,28 85.286,29 0.148,30 15.597,32 7.886,33 11.875,34 1,35 0.673,36 1.925,37 1.959,38 12.683,39 7.01,40 182.96,41 1.888,42 2.93,43 0.632,44 1.907,45 0.041,46 21.028,47 29,48 14.607,49 19.52,50 0.104,51 0.173,52 292.099,53 10.269,54 3.507,56 317.82,58 1.856,59 0.961,60 6.083,61 14.79,62 0.481,63 0.596,64 1.883,65 3.274,66 3.274,67 1.081,68 3.988,69 25,70 5.274,71 5.2}
{0 CHEMBL1990884,3 8.3,4 6.747,5 3.547,6 5.547,7 3.547,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.954,17 0.993,18 1.022,19 1.063,21 1.567,22 1,23 1.089,27 9.888,28 108.707,29 -0.152,30 8.629,32 4.7,33 11.759,34 1,35 0.687,36 1.89,37 1.87,38 8.378,39 8.134,40 240.89,41 1.176,42 2.945,43 0.669,44 1.902,45 0.031,46 10.774,47 19,48 9.608,49 11.662,50 0.111,51 0.178,52 278.506,53 7.108,54 3.499,56 179.756,58 1.641,59 1.081,60 4.046,61 6.565,62 0.467,63 0.549,64 1.938,65 3.123,66 3.123,67 1.171,68 4.027,69 11,70 5.123,71 5.2}
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{0 CHEMBL1990912,3 8.6,4 2.836,5 3.031,6 5.031,7 3.031,9 0.8,11 0.4,12 0.4,16 0.928,17 0.001,18 0.008,19 0.05,21 1.478,22 1,23 0.938,27 8.643,28 99.541,29 -0.004,30 5.688,32 3.833,33 9.1,35 0.687,36 1.779,37 1.776,38 6.276,39 7.581,40 151.532,41 0.278,42 2.709,43 0.655,44 1.774,45 0.018,46 8.065,47 15,48 6.157,49 8.58,50 0.138,51 0.035,52 153.96,53 4.786,54 3.194,56 153.024,58 1.48,59 1.031,60 2.996,61 4.679,62 0.477,63 0.548,64 1.42,65 3.001,66 3.001,67 0.908,68 3.867,69 10,70 5.001,71 5.2}
{0 CHEMBL1991063,3 8.2,4 2.387,5 3.322,6 5.322,7 3.322,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.96,17 0.469,18 0.593,19 0.739,21 1.542,23 1.05,27 11.921,28 66.334,29 0.055,30 9.509,32 5.086,33 12.69,34 1,35 0.715,36 1.861,37 1.84,38 9.592,39 8.722,40 212.665,41 0.908,42 3.082,43 0.677,44 1.865,45 0.027,46 12.421,47 20,48 10.883,49 14.088,50 0.104,51 0.162,52 283.028,53 7.171,54 3.632,56 200.109,58 1.735,59 1.1,60 4.077,61 8.68,62 0.495,63 0.598,64 1.998,65 3.059,66 3.059,67 1.001,68 3.966,69 14,70 5.059,71 5.2}
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{0 CHEMBL1991138,3 7.7,4 2.574,5 3.437,6 5.437,7 3.437,9 2.302,11 1.151,12 1.151,13 2.473,14 2.73,15 2.225,16 1.152,17 1.991,18 1.778,19 1.603,21 1.503,23 1.032,27 19.231,28 127.231,29 0.116,30 13.282,32 8.283,33 13.5,34 1,35 0.667,36 1.996,37 2,38 13.323,39 6.979,40 216.479,41 1.528,42 3.176,43 0.626,44 1.988,45 0.03,46 19.049,47 31,48 13.178,49 19.353,50 0.088,51 0.024,52 307.57,53 10.189,54 3.679,55 1,56 341.362,58 1.869,59 0.933,60 5.963,61 13.739,62 0.48,63 0.572,64 2.294,65 3.194,66 3.194,67 1.063,68 3.97,69 5,70 5.194,71 5.2}
{0 CHEMBL1991143,3 7.9,4 5.876,5 4.221,6 6.221,7 4.221,9 3.225,11 1.812,12 1.812,13 7.186,14 8.356,15 6.029,16 0.847,17 4.893,18 3.793,19 2.76,21 1.678,23 0.959,27 7.195,28 109.139,29 0.019,30 6.907,32 3.592,33 8.833,34 2,35 0.72,36 1.71,37 1.734,38 6.389,39 8.942,40 131.213,41 1.863,42 2.634,43 0.697,44 1.698,45 0.067,46 7.526,47 14,48 7.159,49 8.097,50 0.156,51 0.206,52 152.708,53 5.317,54 3.075,55 3,56 153.024,58 1.568,59 1.17,60 3.125,61 7.081,62 0.483,63 0.578,64 1.347,65 3.358,66 3.358,67 1.058,68 3.923,69 9,70 5.358,71 5.2}
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{0 CHEMBL1991188,3 4.1,4 5.999,5 3.625,6 5.625,7 3.625,9 2.162,11 1.081,12 1.081,13 1.909,14 2.006,15 1.832,16 0.857,17 1.78,18 1.763,19 1.795,21 1.529,23 0.996,27 10.807,28 75.81,29 0.059,30 10.991,32 5.468,33 11.571,35 0.672,36 1.844,37 1.808,38 8.929,39 7.764,40 196.347,41 1.908,42 2.937,43 0.65,44 1.86,45 0.036,46 13.783,47 21,48 10.137,49 12.493,50 0.121,51 0.162,52 309.346,53 7.262,54 3.498,55 1,56 250.382,58 1.718,59 0.979,60 4.611,61 9.112,62 0.467,63 0.568,64 1.857,65 3.046,66 3.046,67 1.049,68 3.952,69 9,70 5.046,71 5.2}
{0 CHEMBL1991285,1 8.747,3 10,4 5.344,5 4.057,6 6.057,7 4.057,8 1,9 4.376,10 1,11 2.341,12 2.341,13 10.541,14 12.165,15 8.941,16 1.128,17 7.374,18 5.855,19 4.421,20 1.847,21 1.612,23 1.116,24 1,25 1,26 1,27 12.274,28 18.952,29 -0.04,30 8.035,31 1,32 4.893,33 12.9,35 0.676,36 1.843,37 1.849,38 9.848,39 8.598,40 200.279,41 3.183,42 3.111,43 0.66,44 1.831,45 0.073,46 9.757,47 20,48 10.206,49 12.742,50 0.127,51 0.186,52 222.627,53 7.388,54 3.631,55 2,56 200.109,58 1.828,59 1.046,60 4.197,61 8.978,62 0.468,63 0.565,64 1.973,65 2.857,66 2.857,67 1.117,68 3.929,69 4,70 4.857,71 5.2}
{0 CHEMBL1991356,3 5.6,4 5.259,5 3.665,6 5.665,7 3.665,9 2.117,11 1.058,12 1.058,13 1.663,14 1.734,15 1.603,16 0.695,17 1.557,18 1.53,19 1.527,21 1.58,23 0.974,27 7.815,28 94.334,29 -0.12,30 7.124,32 3.599,33 8.5,34 1,35 0.708,36 1.633,37 1.61,38 6.43,39 8.065,40 149.716,41 1.552,42 2.504,43 0.684,44 1.646,45 0.042,46 9.159,47 14,48 6.804,49 8.394,50 0.147,51 0.08,52 143.211,53 5.088,54 3.086,56 153.024,58 1.566,59 0.951,60 3.062,61 4.873,62 0.476,63 0.547,64 1.273,65 3.147,66 3.147,67 0.987,68 3.908,69 6,70 5.147,71 5.2}
{0 CHEMBL1991395,3 12,4 5.411,5 3.322,6 5.322,7 3.322,9 0.8,11 0.4,12 0.4,16 0.986,17 0.001,18 0.008,19 0.05,21 1.544,22 1,23 1.155,27 11.863,28 99.112,29 -0.003,30 7.915,32 5.258,33 10.69,34 1,35 0.67,36 1.974,37 1.926,38 8.932,39 7.85,40 213.958,41 0.278,42 2.862,43 0.649,44 1.966,45 0.013,46 11.349,47 21,48 9.662,49 13.982,50 0.104,51 0.12,52 239.27,53 6.784,54 3.341,55 1,56 238.611,58 1.79,59 1.127,60 4.119,61 8.821,62 0.466,63 0.558,64 1.562,65 3.162,66 3.162,67 1.216,68 3.901,69 2,70 5.162,71 5.2}
{0 CHEMBL1991429,3 10,4 5.745,5 3.766,6 5.766,7 3.766,9 3.497,11 1.987,12 1.987,13 8.829,14 10.169,15 7.499,16 1.125,17 6.189,18 4.912,19 3.706,21 1.54,22 1,23 0.951,27 15.882,28 149.364,29 -0.025,30 12.787,32 6.926,33 15.907,34 2,35 0.717,36 1.99,37 2,38 13.048,39 8.368,40 293.13,41 2.707,42 3.392,43 0.686,44 1.979,45 0.041,46 15.169,47 27,48 13.003,49 16.282,50 0.077,51 0.032,52 530.037,53 9.94,54 3.921,55 1,56 294.278,57 31.278,58 1.85,59 0.927,60 5.851,61 13.666,62 0.484,63 0.556,64 2.789,65 3.144,66 3.144,67 0.909,68 4.017,69 8,70 5.144,71 5.2}
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{0 CHEMBL1991577,3 7,4 3.878,5 3.61,6 5.61,7 3.61,9 1.2,11 0.6,12 0.6,13 0.009,14 0.003,15 0.024,16 0.959,17 0.065,18 0.171,19 0.418,21 1.525,23 0.977,27 12.482,28 18.952,29 -0.213,30 7.781,31 2,32 5.501,33 9.227,35 0.646,36 1.846,37 1.821,38 8.276,39 6.963,40 117.172,41 0.892,42 2.698,43 0.61,44 1.858,45 0.025,46 11.5,47 21,48 8.342,49 12.461,50 0.15,51 0.113,52 152.625,53 6.437,54 3.222,55 1,56 223.651,58 1.677,59 1.04,60 4.071,61 6.501,62 0.471,63 0.579,64 1.43,65 3.161,66 3.161,67 0.992,68 3.916,69 5,70 5.161,71 5.2}
{0 CHEMBL1991640,3 7,4 7.45,5 4.264,6 6.264,7 4.264,9 2.474,11 1.283,12 1.283,13 3.42,14 3.844,15 3.019,16 0.825,17 2.65,18 2.327,19 2.076,21 1.678,22 1,23 0.787,27 9.41,28 56.857,29 -0.067,30 10.804,32 3.858,33 9.964,35 0.716,36 1.648,37 1.585,38 8.885,39 9.29,40 145.845,41 1.961,42 2.708,43 0.701,44 1.679,45 0.04,46 9.965,47 15,48 9.714,49 9.248,50 0.133,51 0.093,52 194.435,53 6.821,54 3.205,55 3,56 182.945,57 31.981,58 1.513,59 0.919,60 3.793,61 8.75,62 0.474,63 0.55,64 1.543,65 3.359,66 3.359,67 0.853,68 3.942,69 4,70 5.359,71 5.2}
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{0 CHEMBL1996155,3 7.1,4 2.359,5 3.161,6 5.161,7 3.161,9 1.72,11 0.86,12 0.86,13 0.334,14 0.252,15 0.438,16 0.95,17 0.57,18 0.732,19 0.938,21 1.454,23 1.152,27 11.358,28 28.429,29 0.019,30 7.055,32 5.489,33 10.143,35 0.651,36 1.911,37 1.891,38 7.929,39 6.748,40 135.626,41 1.235,42 2.761,43 0.608,44 1.915,45 0.037,46 10.387,47 21,48 8.373,49 12.147,50 0.137,51 0.05,52 146.974,53 5.977,54 3.349,56 247.193,58 1.566,59 0.803,60 3.889,61 6.017,62 0.478,63 0.591,64 1.769,65 2.704,66 2.704,67 1.142,68 3.93,69 4,70 4.652,71 5.2}
{0 CHEMBL1996208,3 14,4 2.168,5 3.192,6 5.192,7 3.192,9 1.72,11 0.86,12 0.86,13 0.544,14 0.424,15 0.69,16 0.825,17 0.861,18 1.061,19 1.294,21 1.448,23 0.941,27 9.596,28 70.68,29 -0.091,30 5.952,32 4.73,33 10.174,35 0.634,36 1.819,37 1.746,38 5.976,39 7.358,40 183.418,41 1.593,42 2.736,43 0.61,44 1.843,45 0.034,46 9.502,47 20,48 6.128,49 9.685,50 0.128,51 0.038,52 235.703,53 5.075,54 3.335,55 3,56 200.109,58 1.65,59 0.892,60 3.218,61 4.101,62 0.459,63 0.557,64 1.486,65 2.718,66 2.718,67 0.941,68 3.912,69 1,70 4.661,71 5.2}
{0 CHEMBL1996234,3 9.1,4 4.251,5 3.595,6 5.595,7 3.595,16 1.08,21 1.537,23 1.011,27 13.729,28 179.39,29 -0.011,30 10.253,32 6.037,33 11.594,34 1,35 0.697,36 1.984,37 1.993,38 10.475,39 7.664,40 234.694,42 2.93,43 0.665,44 1.986,46 14.167,47 23,48 10.972,49 15.394,50 0.097,51 0.08,52 324.326,53 8.133,54 3.499,55 1,56 235.422,58 1.883,59 0.992,60 4.718,61 11.282,62 0.479,63 0.554,64 1.682,65 3.291,66 3.291,67 1.001,68 4.071,69 12,70 5.291,71 5.2}
{0 CHEMBL1996282,3 6.7,4 2.401,5 3.144,6 5.144,7 3.144,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 1.014,17 0.469,18 0.593,19 0.739,21 1.467,23 1.069,27 11.137,28 94.334,29 -0.015,30 8.231,32 5.007,33 12.423,34 1,35 0.701,36 1.915,37 1.891,38 8.452,39 7.588,40 207.524,41 0.908,42 3.061,43 0.667,44 1.923,45 0.03,46 11.174,47 19,48 8.478,49 11.548,50 0.108,52 252.506,53 6.333,54 3.595,56 211.88,58 1.806,59 0.815,60 3.905,61 6.549,62 0.482,63 0.55,64 2.083,65 3.019,66 3.019,67 1.064,68 3.979,69 9,70 5.019,71 5.5}
{0 CHEMBL1996390,3 3.7,4 4.008,5 3.59,6 5.59,7 3.59,9 2.873,11 1.437,12 1.437,13 5.047,14 5.769,15 4.33,16 0.671,17 3.619,18 2.922,19 2.253,21 1.56,23 1.056,27 5.495,28 56.857,29 -0.142,30 4.634,32 2.292,33 7,35 0.763,36 1.613,37 1.467,38 5.436,39 9.456,40 103.696,41 1.635,42 2.241,43 0.731,44 1.632,45 0.072,46 5.197,47 9,48 4.926,49 5.391,50 0.18,51 0.075,52 89.473,53 3.674,54 2.851,56 94.169,57 31.278,58 1.181,59 1.101,60 2.258,61 3.8,62 0.494,63 0.564,64 1,65 3.09,66 3.09,67 1.257,68 3.848,69 9,70 5.09,71 5.9}
{0 CHEMBL1996500,3 12,4 6.614,5 3.411,6 5.411,7 3.411,9 0.8,11 0.4,12 0.4,16 1.026,17 0.001,18 0.008,19 0.05,21 1.556,22 1,23 1.029,27 9.818,28 89.636,29 -0.045,30 8.118,32 4.98,33 10.067,34 1,35 0.669,36 1.942,37 1.935,38 8.318,39 8.209,40 216.137,41 0.278,42 2.689,43 0.656,44 1.95,45 0.012,46 10.743,47 20,48 8.589,49 12.016,50 0.103,51 0.174,52 245.201,53 6.799,54 3.246,55 1,56 241.8,58 1.802,59 1.152,60 4.147,61 9.457,62 0.46,63 0.556,64 1.413,65 3.201,66 3.201,67 1.021,68 3.895,69 1,70 5.201,71 5.2}
{0 CHEMBL1996543,3 6.4,4 5.088,5 3.162,6 5.162,7 3.162,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 1.069,17 0.469,18 0.593,19 0.739,21 1.511,23 1.067,27 12.049,28 94.334,29 -0.035,30 8.717,32 5.209,33 12.407,34 1,35 0.686,36 1.898,37 1.888,38 9.43,39 7.69,40 214.662,41 0.908,42 3.056,43 0.658,44 1.899,45 0.029,46 11.977,47 20,48 9.813,49 12.994,50 0.105,51 0.053,52 259.608,53 7.097,54 3.594,56 215.069,58 1.786,59 1.017,60 4.207,61 7.86,62 0.475,63 0.546,64 1.874,65 3.03,66 3.03,67 1.055,68 4.013,69 11,70 5.03,71 5.2}
{0 CHEMBL1996587,3 12,4 6.602,5 3.665,6 5.665,7 3.665,16 1.084,21 1.586,23 1.039,27 11.619,28 90.065,29 0.01,30 7.508,32 5.227,33 10,34 2,35 0.669,36 1.88,37 1.87,38 9.116,39 8.209,40 178.113,42 2.689,43 0.656,44 1.874,46 9.936,47 20,48 8.581,49 11.709,50 0.108,51 0.138,52 143.809,53 7.399,54 3.272,55 2,56 253.571,58 1.822,59 0.932,60 4.409,61 10.616,62 0.46,63 0.553,64 1.333,65 3.368,66 3.368,67 1.129,68 4.062,69 1,70 5.368,71 5.2}
{0 CHEMBL1996780,3 4,4 6.051,5 3.82,6 5.82,7 3.82,9 3.349,11 1.674,12 1.674,13 6.88,14 7.91,15 5.851,16 0.945,17 4.826,18 3.814,19 2.844,21 1.577,23 0.899,27 11.004,28 75.81,29 -0.17,30 11.232,32 5.231,33 9.8,34 1,35 0.694,36 1.876,37 1.857,38 9.248,39 8.009,40 178.871,41 2.024,42 2.737,43 0.673,44 1.885,45 0.051,46 13.738,47 20,48 10.084,49 12.074,50 0.116,51 0.142,52 322.497,53 7.305,54 3.255,55 5,56 223.651,58 1.801,59 1.115,60 4.527,61 10.935,62 0.471,63 0.554,64 1.48,65 3.261,66 3.261,67 0.963,68 3.925,69 11,70 5.261,71 5.2}
{0 CHEMBL1996791,3 15.6,4 3.56,5 3.411,6 5.411,7 3.411,16 0.825,21 1.52,23 0.827,27 8.949,28 75.581,29 -0.067,30 9.09,32 3.373,33 7.111,34 1,35 0.717,36 1.56,37 1.513,38 7.78,39 11.225,40 111.512,42 2.261,43 0.649,44 1.594,46 8.593,47 14,48 7.63,49 8.973,50 0.171,51 0.251,52 88.694,53 5.202,54 2.834,55 2,56 129.482,57 56.782,58 1.466,59 1.006,60 2.865,61 6.827,62 0.526,63 0.662,64 1.025,65 3.06,66 3.06,67 0.64,68 3.859,69 2,70 5.06,71 5.2}
{0 CHEMBL1996817,3 8.1,4 2.309,5 3.312,6 5.312,7 3.312,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.865,17 0.469,18 0.593,19 0.739,21 1.471,23 0.872,27 9.454,28 56.429,29 -0.266,30 5.69,32 4.42,33 8.35,34 1,35 0.67,36 1.868,37 1.798,38 6.754,39 7.226,40 149.365,41 0.908,42 2.471,43 0.634,44 1.849,45 0.039,46 7.939,47 17,48 6.056,49 8.397,50 0.151,51 0.052,52 102.751,53 5.54,54 3.041,55 1,56 188.338,58 1.577,59 1.166,60 3.295,61 5.133,62 0.477,63 0.573,64 1.22,65 3.155,66 3.155,67 0.969,68 3.853,69 7,70 5.155,71 5.4}
{0 CHEMBL1996831,3 2.6,4 4.759,5 3.682,6 5.682,7 3.682,9 2.873,11 1.437,12 1.437,13 5.048,14 5.769,15 4.33,16 1.211,17 3.621,18 2.933,19 2.297,21 1.583,23 0.947,27 11.978,28 37.905,29 0.034,30 8.481,32 4.776,33 7.048,35 0.684,36 1.793,37 1.86,38 8.759,39 7.352,40 91.024,41 1.801,42 2.267,43 0.649,44 1.751,45 0.06,46 10.8,47 17,48 7.9,49 10.487,50 0.153,51 0.066,52 77.722,53 6.779,54 2.826,56 188.338,58 1.721,59 1.136,60 3.778,61 6.82,62 0.479,63 0.565,64 1.102,65 3.312,66 3.312,67 0.991,68 3.915,69 14,70 5.312,71 6.3}
{0 CHEMBL1996923,3 21.4,4 1.62,5 3.347,6 5.347,7 3.347,21 1.568,23 1.165,27 1.475,28 18.952,30 1.067,32 0.604,33 4.273,34 1,35 0.821,36 0.96,37 0.971,38 1.793,39 13.43,40 80.108,42 1.495,43 0.803,44 0.959,46 1.139,47 3,48 1.482,49 1.008,50 0.279,51 0.254,52 21.21,53 1.228,54 2.257,56 23.542,58 0.768,60 0.733,62 0.512,63 0.62,64 0.661,65 2.835,66 2.835,67 1.086,68 3.429,69 4,70 4.835,71 5.2}
{0 CHEMBL1996931,3 4.4,4 5.453,5 3.574,6 5.574,7 3.574,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.96,17 1.422,18 1.338,19 1.255,21 1.518,23 1.042,27 11.977,28 137.446,29 -0.043,30 9.164,32 4.953,33 12.192,35 0.703,36 1.859,37 1.843,38 9.238,39 8.153,40 171.136,41 1.176,42 3.094,43 0.668,44 1.863,45 0.038,46 11.806,47 19,48 9.855,49 12.58,50 0.128,51 0.109,52 297.344,53 6.586,54 3.579,56 200.109,58 1.751,59 1.024,60 3.985,61 7.977,62 0.488,63 0.571,64 1.976,65 2.92,66 2.92,67 1.026,68 3.951,69 15,70 4.92,71 5.2}
{0 CHEMBL1996979,3 7.7,4 5.771,5 3.677,6 5.677,7 3.677,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.968,17 1.422,18 1.338,19 1.255,21 1.565,23 1.008,27 7.704,28 94.334,29 0.013,30 6.429,32 3.264,33 10.192,34 1,35 0.716,36 1.928,37 1.893,38 7.183,39 8.958,40 194.511,41 1.176,42 2.705,43 0.71,44 1.938,45 0.036,46 6.762,47 13,48 6.902,49 7.415,50 0.127,51 0.075,52 227.847,53 5.267,54 3.317,56 159.402,58 1.577,59 0.926,60 3.179,61 5.611,62 0.466,63 0.518,64 1.515,65 3.12,66 3.12,67 1.08,68 3.954,69 9,70 5.12,71 5.9}
{0 CHEMBL1997023,3 10.3,4 4.219,5 3.846,6 5.846,7 3.846,9 2.873,11 1.437,12 1.437,13 5.073,14 5.783,15 4.376,16 0.469,17 3.704,18 3.076,19 2.525,21 1.592,23 1.198,27 5.431,28 18.952,29 -0.443,30 5.216,32 2.538,33 6.5,35 0.692,36 1.61,37 1.441,38 5.062,39 9.149,40 95.351,41 2.12,42 2.155,43 0.673,44 1.662,45 0.076,46 6.28,47 11,48 5.491,49 6.718,50 0.202,51 0.234,52 44.588,53 3.952,54 2.752,56 105.94,57 31.052,58 1.417,59 0.68,60 2.418,61 3.683,62 0.474,63 0.59,64 1,65 2.99,66 2.99,67 1.128,68 3.647,69 1,70 4.99,71 6.3}
{0 CHEMBL1997025,3 9.1,4 6.706,5 3.547,6 5.547,7 3.547,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 1.076,17 0.993,18 1.022,19 1.063,21 1.558,23 0.992,27 12.463,28 74.868,29 -0.126,30 8.367,32 4.897,33 10.12,34 1,35 0.671,36 1.9,37 1.899,38 9.273,39 7.691,40 180.616,41 1.176,42 2.779,43 0.645,44 1.898,45 0.035,46 11.027,47 19,48 8.966,49 12.441,50 0.127,51 0.087,52 223.927,53 6.896,54 3.311,55 1,56 191.527,58 1.513,59 0.951,60 3.839,61 6.131,62 0.469,63 0.547,64 1.725,65 3.109,66 3.109,67 1.051,68 3.98,69 7,70 5.109,71 5.2}
{0 CHEMBL1997129,3 7.3,4 4.902,5 3.616,6 5.616,7 3.616,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 1.032,17 1.422,18 1.338,19 1.255,21 1.537,23 1.009,27 10.413,28 94.762,29 -0.12,30 7.118,32 4.453,33 10.292,34 1,35 0.702,36 1.938,37 1.923,38 7.786,39 7.693,40 182.564,41 1.176,42 2.772,43 0.67,44 1.937,45 0.039,46 9.669,47 17,48 7.719,49 10.285,50 0.134,51 0.029,52 217.107,53 5.852,54 3.355,56 176.567,58 1.581,59 0.998,60 3.468,61 5.99,62 0.481,63 0.547,64 1.708,65 3.085,66 3.085,67 1.018,68 3.953,69 13,70 5.085,71 6.4}
{0 CHEMBL1997340,3 10.3,4 5.438,5 3.7,6 5.7,7 3.7,9 2.293,11 1.2,12 1.2,13 2.551,14 2.851,15 2.264,16 0.778,17 1.993,18 1.739,19 1.511,21 1.555,23 1.057,27 9.993,28 80.588,29 -0.161,30 5.537,32 4.095,33 9.478,34 1,35 0.666,36 1.628,37 1.582,38 7.54,39 8.009,40 133.093,41 1.356,42 2.697,43 0.651,44 1.66,45 0.046,46 7.279,47 16,48 7.195,49 9.696,50 0.142,51 0.063,52 132.934,53 5.542,54 3.268,55 2,56 164.795,58 1.478,59 1.186,60 3.387,61 3.562,62 0.461,63 0.539,64 1.588,65 3.035,66 3.035,67 1.085,68 3.951,69 4,70 5.035,71 5.2}
{0 CHEMBL1997349,1 9.825,3 10.4,4 6.52,5 4.099,6 6.099,7 4.099,9 4.069,10 1,11 2.035,12 2.035,13 9.218,14 10.638,15 7.798,16 1.057,17 6.381,18 4.975,19 3.614,20 2.172,21 1.689,23 0.858,24 1,25 1,26 1,27 7.602,28 75.81,29 -0.171,30 8.907,31 1,32 3.602,33 11.576,34 2,35 0.755,36 1.945,37 1.929,38 7.613,39 9.924,40 214.824,41 2.416,42 2.893,43 0.737,44 1.945,45 0.055,46 8.461,47 15,48 8.484,49 8.298,50 0.111,51 0.217,52 254.615,53 6.042,54 3.447,55 3,56 164.795,58 1.746,59 1.055,60 3.469,61 9.565,62 0.488,63 0.575,64 1.649,65 3.306,66 3.306,67 0.927,68 4.062,69 10,70 5.306,71 5.9}
{0 CHEMBL1997503,3 5.5,4 4.118,5 3.729,6 5.729,7 3.729,9 3.925,11 2.341,12 2.341,13 10.216,14 11.912,15 8.526,16 1.106,17 6.849,18 5.206,19 3.658,21 1.543,22 1,23 1.004,27 14.572,28 66.334,29 0.196,30 9.926,32 6.285,33 14.581,35 0.674,36 1.825,37 1.86,38 11.314,39 8.035,40 172.11,41 2.43,42 3.268,43 0.646,44 1.822,45 0.069,46 12.794,47 24,48 10.878,49 14.235,50 0.11,51 0.161,52 223.886,53 8.868,54 3.808,56 258.964,58 1.85,59 1.058,60 5.153,61 8.484,62 0.476,63 0.584,64 2.497,65 2.925,66 2.925,67 1.021,68 3.958,69 5,70 4.925,71 5.2}
{0 CHEMBL1997534,3 5.8,4 5.858,5 3.599,6 5.599,7 3.599,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 0.917,17 1.674,18 1.614,19 1.594,21 1.564,23 1.036,27 12.366,28 75.81,29 0.069,30 12.561,32 6.165,33 11.793,34 1,35 0.696,36 1.771,37 1.79,38 10.103,39 7.799,40 194.201,41 1.661,42 2.97,43 0.653,44 1.772,45 0.034,46 15.673,47 23,48 12.491,49 14.956,50 0.112,51 0.164,52 185.643,53 8.612,54 3.538,56 247.193,57 31.278,58 1.727,59 1.045,60 4.982,61 11.024,62 0.49,63 0.61,64 1.883,65 3.062,66 3.062,67 1.094,68 3.981,69 14,70 5.062,71 5.2}
{0 CHEMBL1997597,3 10.5,4 4.543,5 4.451,6 6.451,7 4.451,16 0.985,21 1.557,23 1.003,27 8.892,28 105.038,29 -0.03,30 7.544,32 4.035,33 9.5,34 1,35 0.688,36 1.838,37 1.798,38 7.616,39 8.327,40 174.86,42 2.738,43 0.654,44 1.803,46 9.517,47 16,48 7.373,49 8.822,50 0.185,51 0.148,52 127.305,53 6.343,54 3.211,56 141.253,58 1.492,59 1.045,60 3.578,61 4.974,62 0.482,63 0.582,64 1.727,65 3.051,66 3.051,67 1.025,68 3.994,69 12,70 5.051,71 5.2}
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{0 CHEMBL1997623,3 10.9,4 5.119,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.997,17 10.736,18 8.065,19 5.464,21 1.538,23 1.114,27 8.912,28 137.136,29 0.402,30 7.627,32 3.85,33 13.4,34 1,35 0.688,36 1.889,37 1.889,38 7.87,39 8.944,40 240.634,41 3.244,42 3.14,43 0.688,44 1.888,45 0.116,46 9.01,47 16,48 8.905,49 10.195,50 0.135,51 0.116,52 303.519,53 6.616,54 3.692,56 174.362,58 1.537,59 1.089,60 3.761,61 5.192,62 0.456,63 0.514,64 2.24,65 3.04,66 3.04,67 1.107,68 3.984,69 13,70 5.04,71 6}
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{0 CHEMBL1997846,3 12.2,4 2.108,5 3.205,6 5.205,7 3.205,9 0.8,11 0.4,12 0.4,16 0.864,17 0.001,18 0.008,19 0.05,21 1.501,22 1,23 0.909,27 11.974,28 37.476,29 -0.254,30 6.564,32 4.63,33 9.217,34 1,35 0.688,36 1.877,37 1.784,38 8.317,39 7.996,40 159.551,41 0.278,42 2.666,43 0.649,44 1.897,45 0.015,46 9.278,47 18,48 7.553,49 11.041,50 0.123,51 0.064,52 194.788,53 6.17,54 3.2,56 188.338,57 39.149,58 1.572,59 1.283,60 3.4,61 6.225,62 0.488,63 0.586,64 1.444,65 3.073,66 3.073,67 0.925,68 3.955,69 3,70 5.073,71 6.6}
{0 CHEMBL1997872,3 7.5,4 5.604,5 3.696,6 5.696,7 3.696,9 2.293,11 1.2,12 1.2,13 2.576,14 2.865,15 2.309,16 0.946,17 2.071,18 1.872,19 1.728,21 1.554,23 1.003,27 10.174,28 65.905,29 0.014,30 7.287,32 4.425,33 9.348,34 1,35 0.681,36 1.843,37 1.835,38 7.683,39 7.684,40 143.594,41 1.679,42 2.719,43 0.655,44 1.845,45 0.046,46 9.659,47 17,48 7.724,49 10.101,50 0.142,51 0.031,52 196.864,53 5.83,54 3.255,56 188.338,58 1.639,59 1.226,60 3.517,61 6.482,62 0.472,63 0.55,64 1.493,65 3.018,66 3.018,67 1.009,68 3.951,69 9,70 5.018,71 5.2}
{0 CHEMBL1998112,3 10.4,4 4.762,5 3.539,6 5.539,7 3.539,9 1.96,11 0.98,12 0.98,13 1.169,14 1.094,15 1.257,16 0.897,17 1.36,18 1.481,19 1.626,21 1.536,22 1,23 0.943,27 8.67,28 84.857,29 0.056,30 8.614,32 4.56,33 10.241,34 2,35 0.682,36 1.874,37 1.799,38 7.057,39 8.114,40 232.127,41 1.824,42 2.76,43 0.665,44 1.897,45 0.031,46 11.19,47 19,48 7.893,49 9.889,50 0.111,51 0.128,52 244.753,53 6.37,54 3.341,55 1,56 188.338,58 1.576,59 1.198,60 3.849,61 8.297,62 0.466,63 0.549,64 1.577,65 2.991,66 2.991,67 1.009,68 3.94,69 5,70 4.991,71 5.2}
{0 CHEMBL1998121,3 10,4 5.707,5 3.795,6 5.795,7 3.795,9 3.497,11 1.987,12 1.987,13 8.273,14 9.631,15 6.927,16 0.969,17 5.601,18 4.312,19 3.1,21 1.545,23 0.977,27 10.137,28 56.857,29 0.265,30 7.881,32 3.9,33 9.417,34 1,35 0.713,36 1.786,37 1.787,38 8.188,39 9.082,40 177.144,41 2.076,42 2.69,43 0.679,44 1.769,45 0.076,46 9.604,47 16,48 8.264,49 10.394,50 0.146,51 0.182,52 151.377,53 5.68,54 3.24,56 141.253,58 1.467,59 1.146,60 3.171,61 7.825,62 0.494,63 0.593,64 1.417,65 3.008,66 3.008,67 0.952,68 3.972,69 11,70 5.008,71 5.2}
{0 CHEMBL1998159,3 9.8,4 4.869,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.416,16 0.989,17 10.734,18 8.058,19 5.425,21 1.524,23 1.128,27 11.278,28 56.857,29 0.022,30 9.204,32 5.11,33 12.903,34 1,35 0.67,36 1.862,37 1.843,38 9.207,39 8.382,40 232.536,41 3.106,42 3.05,43 0.661,44 1.871,45 0.113,46 11.542,47 20,48 10.599,49 13.161,50 0.131,51 0.124,52 306.864,53 7.529,54 3.658,55 1,56 244.989,58 1.763,59 0.793,60 4.55,61 7.766,62 0.458,63 0.537,64 2.048,65 3.035,66 3.035,67 1.134,68 3.994,69 8,70 5.035,71 6.1}
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{0 CHEMBL1998414,3 8.6,4 5.108,5 3.573,6 5.573,7 3.573,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.885,17 1.422,18 1.338,19 1.255,21 1.558,23 1.07,27 8.05,28 47.381,29 -0.429,30 6.949,32 3.604,33 10.286,34 1,35 0.73,36 1.733,37 1.71,38 6.974,39 9.138,40 130.579,41 1.176,42 2.761,43 0.684,44 1.736,45 0.046,46 7.798,47 14,48 7.285,49 8.336,50 0.155,51 0.146,52 74.595,53 5.451,54 3.339,56 141.253,57 31.278,58 1.485,59 1.114,60 3.059,61 4.314,62 0.504,63 0.62,64 1.537,65 2.96,66 2.96,67 1.145,68 3.952,69 7,70 4.96,71 5.2}
{0 CHEMBL1998435,3 8.6,4 2.837,5 3.031,6 5.031,7 3.031,9 0.8,11 0.4,12 0.4,16 0.929,17 0.001,18 0.008,19 0.05,21 1.478,22 1,23 0.92,27 8.631,28 99.541,29 -0.013,30 6.032,32 3.833,33 9.1,35 0.687,36 1.778,37 1.775,38 6.278,39 7.581,40 151.532,41 0.278,42 2.709,43 0.655,44 1.774,45 0.018,46 8.543,47 15,48 6.315,49 8.74,50 0.138,51 0.035,52 153.96,53 4.786,54 3.194,56 153.024,58 1.47,59 1.097,60 2.996,61 4.585,62 0.477,63 0.548,64 1.42,65 3.002,66 3.002,67 0.874,68 3.866,69 11,70 5.002,71 5.2}
{0 CHEMBL1998545,3 4.4,4 5.42,5 3.574,6 5.574,7 3.574,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.964,17 1.422,18 1.338,19 1.255,21 1.501,23 1.036,27 12.212,28 146.922,29 -0.096,30 8.947,32 5.287,33 11.56,35 0.684,36 1.862,37 1.847,38 9.01,39 7.387,40 177.111,41 1.176,42 2.953,43 0.649,44 1.867,45 0.039,46 11.913,47 20,48 9.528,49 12.69,50 0.132,51 0.056,52 283.037,53 6.681,54 3.511,56 211.88,58 1.769,59 0.882,60 4.131,61 7.614,62 0.479,63 0.552,64 1.898,65 2.919,66 2.919,67 1.034,68 3.951,69 14,70 4.919,71 5.2}
{0 CHEMBL1998551,3 12.8,4 6.551,5 3.753,6 5.753,7 3.753,9 1.529,11 0.765,12 0.765,13 0.077,14 0.046,15 0.128,16 1.061,17 0.21,18 0.336,19 0.521,21 1.584,23 0.962,27 9.797,28 90.065,29 0.032,30 6.686,32 4.669,33 9.345,34 2,35 0.674,36 1.837,37 1.847,38 8.182,39 8.435,40 178.113,41 0.775,42 2.672,43 0.666,44 1.834,45 0.023,46 8.199,47 18,48 7.401,49 9.854,50 0.114,51 0.143,52 137.537,53 6.801,54 3.195,55 2,56 230.029,58 1.818,59 0.972,60 4.068,61 9.922,62 0.459,63 0.548,64 1.415,65 3.246,66 3.246,67 0.972,68 4.058,69 1,70 5.246,71 5.2}
{0 CHEMBL1998585,3 11.4,4 5.798,5 4.461,6 6.461,7 4.461,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.872,17 10.736,18 8.065,19 5.464,21 1.552,23 1.038,27 6.918,28 106.88,29 0.321,30 8.781,32 3.063,33 12.806,35 0.715,36 1.885,37 1.789,38 7.65,39 10.169,40 226.536,41 3.244,42 3.039,43 0.721,44 1.903,45 0.113,46 8.208,47 13,48 9.179,49 8.203,50 0.131,51 0.131,52 311.064,53 6.585,54 3.615,56 165.78,57 31.278,58 1.43,59 0.978,60 3.731,61 5.379,62 0.462,63 0.526,64 2.044,65 3.118,66 3.118,67 0.957,68 3.982,69 8,70 5.118,71 5.2}
{0 CHEMBL1998611,3 9.5,4 4.108,5 3.602,6 5.602,7 3.602,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.267,17 0.993,18 1.019,19 1.045,21 1.65,23 0.853,27 3.224,28 51.85,29 -0.684,30 3.428,32 1.092,33 5.067,35 0.838,36 1.38,37 1.293,38 4.452,39 14.552,40 103.441,41 1.072,42 1.566,43 0.78,44 1.398,45 0.061,46 2.396,47 6,48 4.881,49 3.713,50 0.225,51 0.374,52 34.306,53 2.486,54 2.433,56 23.542,57 77.232,58 0.92,60 1.375,61 2.447,62 0.568,63 0.703,64 0.747,65 3.073,66 3.073,67 0.962,68 3.555,69 6,70 5.073,71 5.9}
{0 CHEMBL1998829,3 7.7,4 5.365,5 3.574,6 5.574,7 3.574,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.97,17 1.422,18 1.338,19 1.255,21 1.553,23 1.055,27 8.584,28 103.81,29 0.015,30 6.393,32 3.44,33 10.72,34 1,35 0.741,36 1.928,37 1.894,38 7.069,39 8.918,40 189.246,41 1.176,42 2.889,43 0.712,44 1.931,45 0.038,46 7.631,47 14,48 6.889,49 8.111,50 0.128,51 0.086,52 220.586,53 4.91,54 3.405,56 141.253,58 1.577,59 0.823,60 2.929,61 5.636,62 0.49,63 0.557,64 1.594,65 3.119,66 3.119,67 1.086,68 3.937,69 12,70 5.119,71 5.2}
{0 CHEMBL1998975,3 13.6,4 1.492,5 2.9,6 4.9,7 2.9,9 0.8,11 0.4,12 0.4,16 0.358,17 0.001,18 0.008,19 0.05,21 1.43,22 1,23 1.073,27 4.039,28 87.927,29 -0.246,30 2.781,32 2.12,33 6.308,34 1,35 0.725,36 1.443,37 1.283,38 3.342,39 8.695,40 128.309,41 0.278,42 2.162,43 0.674,44 1.41,45 0.029,46 2.954,47 9,48 3.82,49 4.462,50 0.207,51 0.061,52 40.475,53 3.106,54 2.74,56 70.627,57 31.278,58 1.181,59 0.735,60 1.846,61 1.811,62 0.503,63 0.593,64 0.947,65 2.508,66 2.508,67 1.007,68 3.792,69 2,70 4.508,71 5}
{0 CHEMBL1999112,1 9.761,3 6.8,4 6.019,5 4.724,6 6.671,7 4.724,9 6.301,10 1,11 3.151,12 3.151,13 14.483,14 16.769,15 12.206,16 0.844,17 9.948,18 7.731,19 5.608,20 2.024,21 1.692,23 0.782,24 1,25 1,26 1,27 7.765,28 70.86,29 -0.206,30 9.967,31 1,32 3.62,33 8.759,35 0.716,36 1.733,37 1.722,38 8.519,39 9.306,40 202.126,41 3.742,42 2.548,43 0.704,44 1.729,45 0.098,46 8.596,47 15,48 8.644,49 7.272,50 0.148,51 0.144,52 75.975,53 6.794,54 3.066,55 3,56 153.024,57 32.22,58 1.629,59 0.998,60 3.922,61 9.711,62 0.472,63 0.554,64 1.37,65 3.327,66 3.327,67 0.908,68 3.904,69 5,70 5.308,71 5.2}
{0 CHEMBL1999126,1 9.8,3 10.4,4 6.47,5 4.099,6 6.099,7 4.099,9 4.069,10 1,11 2.035,12 2.035,13 9.218,14 10.638,15 7.798,16 1.058,17 6.381,18 4.975,19 3.614,20 2.187,21 1.668,23 0.868,24 1,25 1,26 1,27 8.822,28 94.762,29 -0.275,30 8.759,31 1,32 4.3,33 10.806,34 2,35 0.719,36 1.946,37 1.94,38 7.593,39 8.489,40 226.775,41 2.416,42 2.776,43 0.702,44 1.946,45 0.058,46 9.315,47 17,48 8.458,49 9.511,50 0.117,51 0.141,52 232.72,53 6.332,54 3.355,55 3,56 188.338,58 1.746,59 0.976,60 3.823,61 9.196,62 0.473,63 0.544,64 1.49,65 3.306,66 3.306,67 0.975,68 4.063,69 7,70 5.306,71 6.3}
{0 CHEMBL1999321,3 6.3,4 4.884,5 3.966,6 5.966,7 3.966,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.367,16 1.013,17 0.471,18 0.602,19 0.787,21 1.544,22 1,23 1.01,27 10.803,28 122.249,29 -0.004,30 8.333,32 4.87,33 14,35 0.697,36 1.95,37 1.955,38 8.556,39 8.03,40 211.99,41 1.138,42 3.237,43 0.675,44 1.935,45 0.027,46 10.611,47 19,48 8.619,49 11.055,50 0.124,51 0.049,52 325.73,53 6.534,54 3.759,56 200.109,58 1.816,59 1.084,60 4.116,61 7.729,62 0.472,63 0.538,64 2.138,65 3.322,66 3.322,67 1.01,68 3.953,69 6,70 5.322,71 5.2}
{0 CHEMBL1999428,3 4.9,4 5.355,5 3.585,6 5.585,7 3.585,9 2.162,11 1.081,12 1.081,13 1.807,14 1.939,15 1.679,16 0.871,17 1.555,18 1.438,19 1.343,21 1.51,23 1.019,27 10.777,28 104.239,29 -0.023,30 8.37,32 4.832,33 10.783,35 0.697,36 1.849,37 1.839,38 7.947,39 7.376,40 183.402,41 1.331,42 2.893,43 0.658,44 1.85,45 0.043,46 11.26,47 18,48 8.273,49 11.065,50 0.143,51 0.075,52 250.87,53 5.932,54 3.416,56 200.109,58 1.722,59 1.017,60 3.654,61 5.957,62 0.484,63 0.563,64 1.811,65 2.927,66 2.927,67 1.034,68 3.948,69 14,70 4.927,71 5.2}
{0 CHEMBL1999496,3 4.2,4 5.975,5 4.218,6 6.218,7 4.218,9 3.306,11 1.907,12 1.907,13 7.771,14 9.051,15 6.501,16 0.964,17 5.251,18 4.041,19 2.927,21 1.538,23 1.087,27 13.014,28 94.762,29 0.041,30 11.637,32 6.07,33 8.962,35 0.689,36 1.961,37 1.936,38 9.594,39 7.135,40 188.042,41 2.076,42 2.493,43 0.646,44 1.94,45 0.066,46 15.837,47 22,48 11.497,49 15.777,50 0.145,51 0.106,52 269.719,53 7.533,54 3.146,56 247.193,58 1.583,59 0.882,60 4.505,61 11.92,62 0.486,63 0.58,64 1.281,65 3.863,66 3.863,67 1.095,68 3.909,69 26,70 5.863,71 5.2}
{0 CHEMBL1999556,3 7.1,4 4.231,5 3.519,6 5.519,7 3.519,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.685,17 0.993,18 1.019,19 1.045,21 1.546,23 1.039,27 5.816,28 56.857,29 -0.153,30 4.898,32 2.498,33 7,35 0.756,36 1.68,37 1.538,38 5.496,39 9.083,40 140.388,41 1.072,42 2.241,43 0.716,44 1.696,45 0.049,46 5.775,47 10,48 5.251,49 5.894,50 0.176,51 0.082,52 89.473,53 3.919,54 2.851,56 94.169,57 31.278,58 1.193,59 1.079,60 2.272,61 4.004,62 0.498,63 0.571,64 1,65 3.092,66 3.092,67 1.222,68 3.85,69 9,70 5.092,71 5.3}
{0 CHEMBL1999590,3 14.3,4 1.696,5 3.254,6 5.254,7 3.254,16 0.829,21 1.482,23 0.989,27 7.211,28 97.026,29 -0.054,30 5.549,31 1,32 3.962,33 10.885,34 1,35 0.698,36 1.721,37 1.755,38 5.586,39 8.2,40 228.883,42 2.921,43 0.678,44 1.733,46 7.286,47 16,48 5.652,49 7.761,50 0.112,51 0.041,52 163.571,53 5.052,54 3.412,55 1,56 176.567,58 1.687,59 0.878,60 3.279,61 6.703,62 0.471,63 0.541,64 1.749,65 3.038,66 3.038,67 0.958,68 3.919,69 5,70 5.038,71 5.2}
{0 CHEMBL1999714,3 6.9,4 5.028,5 3.621,6 5.621,7 3.621,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.623,17 1.423,18 1.34,19 1.27,21 1.554,22 1,23 1.05,27 6.999,28 66.334,29 -0.192,30 5.147,32 3.086,33 6.294,34 1,35 0.699,36 1.527,37 1.546,38 5.395,39 7.734,40 130.526,41 1.27,42 1.971,43 0.669,44 1.528,45 0.056,46 6.651,47 12,48 5.789,49 7.709,50 0.191,51 0.102,52 57.486,53 4.194,54 2.694,56 117.711,58 1.338,59 1.327,60 2.436,61 3.401,62 0.478,63 0.556,64 0.934,65 3.039,66 3.039,67 1.116,68 3.845,69 4,70 5.039,71 5.2}
{0 CHEMBL1999718,1 8.71,3 13.9,4 5.079,5 4.461,6 6.461,7 4.461,8 1,9 5.86,10 1,11 3.825,12 3.825,13 16.101,14 18.783,15 13.42,16 0.706,17 10.748,18 8.109,19 5.6,20 1.905,21 1.59,23 1.091,24 1,25 1,26 1,27 5.129,28 56.857,29 -0.082,30 5.115,31 1,32 2.337,33 11.615,35 0.704,36 1.685,37 1.638,38 5.458,39 9.926,40 220.414,41 3.524,42 2.903,43 0.724,44 1.721,45 0.137,46 5.038,47 10,48 6.066,49 5.661,50 0.159,51 0.136,52 226.083,53 4.666,54 3.466,55 2,56 139.049,58 1.38,59 0.95,60 2.758,61 4.043,62 0.45,63 0.5,64 1.769,65 3.052,66 3.052,67 1.094,68 3.935,69 3,70 5.052,71 5.2}
{0 CHEMBL1999749,3 5.5,4 3.42,5 3.446,6 5.446,7 3.446,9 1.776,11 0.916,12 0.916,13 0.702,14 0.579,15 0.845,16 1.086,17 1.011,18 1.203,19 1.434,21 1.517,22 1,23 1.088,27 19.714,28 184.827,29 0.013,30 15.24,32 8.556,33 17.902,34 1,35 0.686,36 1.978,37 1.979,38 14.853,39 7.462,40 257.757,41 1.755,42 3.628,43 0.652,44 1.974,45 0.019,46 20.585,47 32,48 15.873,49 21.601,50 0.073,51 0.043,52 800.445,53 11.179,54 4.082,56 353.133,58 1.921,59 0.973,60 6.762,61 14.742,62 0.478,63 0.559,64 2.978,65 3.354,66 3.354,67 1.126,68 4.085,69 16,70 5.354,71 5.2}
{0 CHEMBL1999774,3 10,4 4.212,5 3.644,6 5.644,7 3.644,9 2.873,11 1.437,12 1.437,13 5.048,14 5.769,15 4.331,16 0.98,17 3.623,18 2.937,19 2.301,21 1.58,23 0.997,27 10.338,29 0.013,30 7.28,32 4.115,33 8.957,35 0.664,36 1.736,37 1.702,38 7.622,39 8.42,40 113.715,41 1.806,42 2.752,43 0.644,44 1.751,45 0.057,46 9.561,47 17,48 8.224,49 11.115,50 0.146,51 0.242,52 111.199,53 5.794,54 3.116,55 2,56 153.024,58 1.627,59 1.146,60 3.353,61 6.486,62 0.47,63 0.58,64 1.527,65 3.181,66 3.181,67 1.12,68 3.906,69 3,70 5.14,71 5.2}
{0 CHEMBL1999811,3 14.7,4 4.824,5 3.549,6 5.549,7 3.549,9 2.86,11 1.629,12 1.629,13 5.892,14 6.852,15 4.946,16 0.365,17 4.023,18 3.143,19 2.344,21 1.513,23 1.045,27 4.985,28 56.857,29 0.201,30 4.585,31 1,32 2.234,33 10.522,35 0.715,36 1.633,37 1.476,38 5.184,39 9.687,40 162.925,41 1.701,42 2.736,43 0.706,44 1.69,45 0.065,46 4.196,47 11,48 5.513,49 5.731,50 0.142,51 0.092,52 148.623,53 4.113,54 3.338,56 82.398,57 30.826,58 1.266,59 0.616,60 2.509,61 3.177,62 0.471,63 0.54,64 1.584,65 2.959,66 2.959,67 0.907,68 3.94,69 1,70 4.959,71 6.3}
{0 CHEMBL1999918,3 7.1,4 6.12,5 3.547,6 5.547,7 3.547,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.685,17 0.993,18 1.019,19 1.045,21 1.627,23 1.053,27 4.26,28 28.429,29 -0.193,30 5.036,32 1.646,33 7.762,35 0.8,36 1.68,37 1.537,38 6.06,39 13.186,40 133.256,41 1.072,42 2.422,43 0.78,44 1.695,45 0.043,46 4.523,47 7,48 5.695,49 4.305,50 0.154,51 0.243,52 110.175,53 3.6,54 2.969,56 88.776,57 77.232,58 1.189,59 0.941,60 2.023,61 4.828,62 0.518,63 0.608,64 1.129,65 3.14,66 3.14,67 1.227,68 3.863,69 5,70 5.14,71 5.2}
{0 CHEMBL1999931,3 12.5,4 5.503,5 3.579,6 5.579,7 3.579,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 1.072,17 1.425,18 1.348,19 1.297,21 1.527,23 1.109,27 10.453,28 132.239,29 0.083,30 6.78,32 4.602,33 12.933,34 2,35 0.71,36 1.984,37 2,38 8.137,39 8.218,40 244.724,41 1.331,42 3.095,43 0.688,44 1.974,45 0.031,46 8.587,47 18,48 7.906,49 10.253,50 0.105,51 0.023,52 281.398,53 6.176,54 3.655,56 188.338,58 1.618,59 1.022,60 3.792,61 6.428,62 0.474,63 0.533,64 2.133,65 3.064,66 3.064,67 1.164,68 4.001,69 8,70 5.064,71 8.5}
{0 CHEMBL2000071,3 11.1,4 2.871,5 3.264,6 5.264,7 3.264,9 0.8,11 0.4,12 0.4,16 0.874,17 0.001,18 0.008,19 0.05,21 1.47,22 1,23 0.892,27 8.979,28 99.112,29 -0.149,30 5.449,32 3.963,33 8.35,34 1,35 0.668,36 1.817,37 1.778,38 6.155,39 7.454,40 151.042,41 0.278,42 2.471,43 0.638,44 1.813,45 0.018,46 8.07,47 16,48 5.667,49 8.216,50 0.148,51 0.035,52 102.751,53 4.978,54 3.041,56 153.024,58 1.573,59 1.083,60 2.944,61 4.988,62 0.472,63 0.55,64 1.22,65 3.167,66 3.167,67 0.948,68 3.858,69 7,70 5.167,71 5.2}
{0 CHEMBL2000104,3 5.4,4 4.877,5 5.243,6 7.243,7 5.243,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.893,17 9.348,18 7.186,19 5.039,21 1.634,23 0.996,27 8.589,28 53.427,29 -0.011,30 7.664,32 3.71,33 9.348,35 0.736,36 1.739,37 1.761,38 9.263,39 9.364,40 142.187,41 3.012,42 2.719,43 0.695,44 1.706,45 0.118,46 8.871,47 14,48 8.32,49 7.882,50 0.21,51 0.166,52 130.78,53 6.786,54 3.185,56 141.253,57 31.278,58 1.538,59 0.882,60 3.886,61 6.21,62 0.499,63 0.606,64 1.493,65 3.099,66 3.099,67 1.247,68 3.989,69 8,70 5.099,71 5.4}
{0 CHEMBL2000114,3 13.3,4 2.735,5 4.364,6 6.364,7 4.364,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.7,17 9.348,18 7.185,19 5.027,21 1.613,22 1,23 0.868,27 6.596,28 51.731,29 -0.05,30 4.665,32 3.368,33 7.125,34 1,35 0.664,36 1.679,37 1.601,38 4.806,39 7.945,40 106.031,41 2.93,42 2.227,43 0.621,44 1.664,45 0.174,46 6.452,47 14,48 4.22,49 6.151,50 0.257,51 0.107,52 38.711,53 4.768,54 2.81,56 129.482,57 32.22,58 1.48,59 1.118,60 2.641,61 4.131,62 0.485,63 0.615,64 1.016,65 3.019,66 3.019,67 0.933,68 3.709,70 4.919,71 5.2}
{0 CHEMBL2000271,3 7.7,4 2.529,5 3.148,6 5.148,7 3.148,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 1.023,17 0.469,18 0.593,19 0.739,21 1.491,23 1.088,27 14.199,28 85.286,29 0.005,30 10.493,32 6.328,33 11.893,34 1,35 0.675,36 1.875,37 1.876,38 10.254,39 7.164,40 226.722,41 0.908,42 2.968,43 0.636,44 1.875,45 0.028,46 14.779,47 24,48 10.986,49 15.6,50 0.102,51 0.067,52 271.182,53 7.88,54 3.556,56 247.193,58 1.81,59 0.926,60 4.711,61 9.224,62 0.48,63 0.569,64 1.837,65 3.059,66 3.059,67 1.116,68 3.974,69 14,70 5.059,71 5.2}
{0 CHEMBL2000335,3 10.6,4 5.258,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.872,17 4.156,18 3.244,19 2.415,21 1.538,23 1.052,27 9.86,28 106.88,29 -0.218,30 10.512,32 4.751,33 12.536,35 0.712,36 1.886,37 1.789,38 8.024,39 8.288,40 230.491,41 1.758,42 3.04,43 0.674,44 1.904,45 0.053,46 12.764,47 19,48 9.943,49 12.688,50 0.115,51 0.127,52 275.908,53 6.982,54 3.584,56 176.567,57 31.278,58 1.568,59 0.919,60 3.962,61 5.867,62 0.488,63 0.582,64 2.031,65 3.118,66 3.118,67 0.978,68 3.986,69 13,70 5.118,71 5.2}
{0 CHEMBL2000354,3 5.4,4 5.019,5 4.69,6 6.69,7 4.69,9 7.134,11 3.655,12 3.655,13 15.994,14 18.553,15 13.438,16 0.64,17 10.885,18 8.334,19 5.8,21 1.6,23 1.061,27 7.052,28 85.286,29 0.094,30 7.257,31 1,32 3.489,33 10.652,35 0.719,36 1.62,37 1.593,38 6.837,39 8.822,40 149.1,41 3.442,42 2.914,43 0.69,44 1.656,45 0.146,46 7.212,47 14,48 6.546,49 7.08,50 0.188,51 0.105,52 161.446,53 5.371,54 3.382,55 1,56 141.253,57 32.22,58 1.475,59 0.705,60 3.374,61 4.678,62 0.484,63 0.571,64 1.754,65 2.815,66 2.815,67 1.156,68 3.914,69 5,70 4.815,71 7.7}
{0 CHEMBL2000393,3 13.3,4 6.245,5 3.858,6 5.858,7 3.858,9 2.981,11 1.706,12 1.706,13 6.445,14 7.499,15 5.404,16 0.919,17 4.39,18 3.438,19 2.632,21 1.598,23 0.95,27 8.339,28 56.857,29 0.069,30 8.146,32 3.367,33 10.29,34 1,35 0.703,36 1.87,37 1.779,38 8.188,39 9.342,40 197.26,41 2.136,42 2.75,43 0.71,44 1.898,45 0.047,46 8.223,47 14,48 7.75,49 7.783,50 0.107,51 0.064,52 273.566,53 6.151,54 3.371,55 6,56 182.945,58 1.724,59 0.911,60 3.545,61 6.54,62 0.456,63 0.514,64 1.525,65 3.156,66 3.156,67 1.013,68 4.036,69 3,70 5.156,71 5.2}
{0 CHEMBL2000408,3 10.7,4 6.737,5 3.42,6 5.42,7 3.42,9 0.8,11 0.4,12 0.4,16 1.051,17 0.001,18 0.008,19 0.05,21 1.563,22 1,23 1.133,27 12.564,28 89.636,29 -0.055,30 10.007,32 6.087,33 10.813,34 1,35 0.66,36 1.971,37 1.957,38 9.69,39 7.831,40 218.671,41 0.278,42 2.827,43 0.641,44 1.968,45 0.011,46 13.838,47 24,48 10.517,49 15.143,50 0.098,51 0.196,52 266.938,53 7.954,54 3.319,55 1,56 288.884,58 1.813,59 1.261,60 4.808,61 10.606,62 0.463,63 0.572,64 1.523,65 3.208,66 3.208,67 1.209,68 3.904,69 1,70 5.208,71 5.2}
{0 CHEMBL2000429,3 10,4 6.836,5 3.43,6 5.43,7 3.43,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.367,16 1.061,17 0.47,18 0.597,19 0.763,21 1.554,22 1,23 1.066,27 13.873,28 89.636,29 0.042,30 9.254,32 6.534,33 11.029,34 1,35 0.653,36 1.971,37 1.928,38 10.757,39 7.809,40 227.02,41 1.029,42 2.882,43 0.635,44 1.968,45 0.023,46 13.093,47 26,48 10.945,49 15.965,50 0.093,51 0.186,52 287.263,53 8.508,54 3.39,55 1,56 312.427,58 1.865,59 1.122,60 5.181,61 12.13,62 0.46,63 0.57,64 1.621,65 3.198,66 3.198,67 1.129,68 3.902,69 1,70 5.198,71 5.2}
{0 CHEMBL2000433,1 9.369,3 14.3,4 3.369,5 4.087,6 6.087,7 4.087,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.981,17 6.378,18 4.962,19 3.563,20 2.251,21 1.628,23 0.77,24 1,25 1,26 1,27 7.62,28 65.269,29 -0.041,30 4.621,31 1,32 3.753,33 7.05,34 1,35 0.681,36 1.806,37 1.834,38 5.185,39 7.581,40 183.35,41 2.228,42 2.228,43 0.65,44 1.79,45 0.092,46 6.829,47 15,48 5.438,49 7.981,50 0.186,51 0.147,52 77.078,53 4.565,54 2.807,55 2,56 153.024,58 1.516,59 1.232,60 2.748,61 5.853,62 0.475,63 0.572,64 0.965,65 3.183,66 3.183,67 0.813,68 3.788,69 1,70 5.183,71 6.1}
{0 CHEMBL2000481,3 9.3,4 5.676,5 4.684,6 6.684,7 4.684,9 2.117,11 1.058,12 1.058,13 1.874,14 1.935,15 1.817,16 1.039,17 1.766,18 1.719,19 1.677,21 1.583,23 0.965,27 12.992,28 135.927,29 -0.012,30 10.224,31 1,32 5.221,33 14.03,35 0.696,36 1.94,37 1.94,38 11.449,39 8.584,40 249.006,41 1.641,42 3.23,43 0.673,44 1.93,45 0.029,46 11.306,47 21,48 10.789,49 11.736,50 0.13,51 0.111,52 419.954,53 8.082,54 3.739,56 188.338,58 1.813,59 1.029,60 4.869,61 9.736,62 0.475,63 0.552,64 2.213,65 3.166,66 3.166,67 1.11,68 4.027,69 11,70 5.166,71 5.2}
{0 CHEMBL2000508,3 9.7,4 5.139,5 3.322,6 5.322,7 3.322,16 0.673,21 1.532,23 0.929,27 5.76,28 73.554,29 0.175,30 5.012,32 2.556,33 7.714,34 1,35 0.763,36 1.674,37 1.6,38 5.463,39 9.528,40 147.512,42 2.398,43 0.734,44 1.703,46 5.321,47 10,48 4.794,49 5.015,50 0.138,51 0.028,52 108.115,53 4.04,54 2.927,56 132.671,57 31.278,58 1.249,59 1.009,60 2.448,61 6.611,62 0.491,63 0.558,64 1.088,65 3.151,66 3.151,67 0.888,68 3.881,69 3,70 5.151,71 5.2}
{0 CHEMBL2000568,3 6.7,4 4.379,5 3.547,6 5.547,7 3.547,9 2.555,11 1.277,12 1.277,13 3.658,14 4.138,15 3.184,16 0.688,17 2.72,18 2.271,19 1.845,21 1.551,23 1.065,27 6.555,28 65.905,29 0.037,30 5.263,32 3.15,33 7.222,34 1,35 0.709,36 1.687,37 1.65,38 5.23,39 7.876,40 136.327,41 1.45,42 2.281,43 0.68,44 1.693,45 0.064,46 7.138,47 12,48 5.203,49 6.705,50 0.177,51 0.097,52 92.23,53 4.224,54 2.925,56 129.482,58 1.637,59 0.896,60 2.52,61 3.581,62 0.48,63 0.554,64 1.136,65 2.995,66 2.995,67 1.073,68 3.926,69 11,70 4.995,71 5.9}
{0 CHEMBL2000685,3 19.6,4 6.501,5 3.607,6 5.607,7 3.607,9 2.13,11 1.072,12 1.072,13 2.92,14 3.029,15 2.822,16 1.095,17 2.744,18 2.701,19 2.722,21 1.522,23 1.04,27 16.373,28 94.762,29 0.076,30 15.146,31 8,32 8.878,33 17.635,35 0.646,36 1.979,37 1.988,38 10.681,39 7.705,40 615.226,41 2.857,42 3.426,43 0.626,44 1.975,45 0.02,46 22.505,47 40,48 13.148,49 20.563,50 0.067,51 0.246,52 617.598,53 11.116,54 4.073,56 258.964,58 1.734,59 1.033,60 5.964,61 19.366,62 0.459,63 0.554,64 2.729,65 2.989,66 2.989,67 1.002,68 3.993,69 15,70 4.989,71 5.2}
{0 CHEMBL2000801,3 7,4 5.353,5 4.474,6 6.474,7 4.474,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.99,17 10.736,18 8.065,19 5.464,21 1.54,23 1.072,27 7.925,28 94.762,29 0.541,30 8.127,32 3.287,33 12.267,35 0.726,36 1.873,37 1.876,38 8.446,39 10.033,40 194.353,41 3.244,42 2.881,43 0.725,44 1.864,45 0.116,46 8.058,47 13,48 9.333,49 8.775,50 0.136,51 0.105,52 304.858,53 6.556,54 3.55,56 189.323,57 31.052,58 1.388,59 0.895,60 3.697,61 6.018,62 0.467,63 0.531,64 2.049,65 3.082,66 3.082,67 1.039,68 3.982,69 13,70 5.082,71 5.2}
{0 CHEMBL2000832,3 5.2,4 5.945,5 3.629,6 5.629,7 3.629,9 2.162,11 1.081,12 1.081,13 2.339,14 2.452,15 2.233,16 1.097,17 2.138,18 2.059,19 2.013,21 1.565,22 1,23 1.054,27 12.907,28 123.191,29 0.13,30 12.634,32 5.537,33 14.472,34 1,35 0.696,36 1.978,37 1.976,38 11.302,39 8.337,40 238.184,41 2.057,42 3.295,43 0.682,44 1.976,45 0.027,46 15.377,47 22,48 12.159,49 14.193,50 0.091,51 0.106,52 404.289,53 8.431,54 3.801,56 226.84,58 1.853,59 1.037,60 5.063,61 9.991,62 0.467,63 0.535,64 2.665,65 3.094,66 3.094,67 1.105,68 3.962,69 12,70 5.094,71 5.2}
{0 CHEMBL2000894,3 8.5,4 5.919,5 3.779,6 5.779,7 3.779,9 1.96,11 0.98,12 0.98,13 0.969,14 0.935,15 1.007,16 0.914,17 1.054,18 1.112,19 1.195,21 1.587,23 0.984,27 10.083,28 108.585,29 -0.108,30 10.436,32 4.439,33 9.379,34 1,35 0.696,36 1.877,37 1.855,38 8.451,39 8.222,40 213.63,41 1.356,42 2.66,43 0.679,44 1.887,45 0.031,46 13.119,47 18,48 9.504,49 11.526,50 0.118,51 0.14,52 307.429,53 6.275,54 3.204,55 3,56 164.795,58 1.618,59 1.092,60 3.872,61 9.53,62 0.469,63 0.537,64 1.358,65 3.267,66 3.267,67 1.055,68 3.925,69 11,70 5.267,71 5.2}
{0 CHEMBL2001224,1 8.723,3 11.4,4 5.268,5 4.057,6 6.057,7 4.057,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.26,14 10.666,15 7.863,16 1.109,17 6.48,18 5.126,19 3.841,20 1.867,21 1.598,23 0.986,24 1,25 1,26 1,27 10.549,28 18.952,29 0.012,30 6.396,31 1,32 4.467,33 11,35 0.685,36 1.793,37 1.829,38 8.34,39 8.451,40 197.311,41 2.745,42 2.888,43 0.66,44 1.751,45 0.073,46 7.902,47 18,48 7.897,49 10.145,50 0.145,51 0.157,52 187.704,53 6.457,54 3.409,55 2,56 188.338,58 1.789,59 0.96,60 3.623,61 8.674,62 0.476,63 0.577,64 1.615,65 2.849,66 2.849,67 0.973,68 3.907,69 4,70 4.849,71 5.2}
{0 CHEMBL2001239,2 1,3 13.6,4 4.607,5 4.575,6 6.575,7 4.575,9 5.621,11 3.943,12 3.943,13 16.464,14 19.208,15 13.72,16 0.701,17 10.978,18 8.248,19 5.587,21 1.533,22 1,23 1.112,27 7.593,28 89.755,29 0.135,30 7.902,32 3.042,33 9.7,34 1,35 0.686,36 1.845,37 1.708,38 7.06,39 9.973,40 218.933,41 3.323,42 2.553,43 0.698,44 1.869,45 0.123,46 8.47,47 14,48 8.158,49 8.703,50 0.143,51 0.193,52 315.713,53 5.976,54 3.271,56 150.82,58 1.559,59 1.001,60 3.363,61 8.209,62 0.455,63 0.526,64 1.453,65 3.081,66 3.081,67 1.038,68 3.878,69 11,70 5.081,71 5.2}
{0 CHEMBL2001257,3 7.8,4 5.369,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.096,14 7.085,15 5.124,16 1.131,17 4.186,18 3.315,19 2.573,20 6.545,21 1.512,23 0.931,24 2,25 1,26 2,27 15.76,28 116.356,29 -0.188,30 14.364,32 7.5,33 15.314,35 0.692,36 1.953,37 1.95,38 11.891,39 7.558,40 276.367,41 2.072,42 3.386,43 0.646,44 1.944,45 0.044,46 18.549,47 29,48 14.053,49 18.808,50 0.094,51 0.13,52 353.195,53 9.897,54 3.869,56 294.278,57 31.278,58 1.862,59 1.214,60 5.725,61 9.76,62 0.49,63 0.6,64 2.684,65 3.176,66 3.176,67 0.88,68 3.968,69 13,70 5.176,71 5.2}
{0 CHEMBL2001288,3 15.6,4 4.026,5 3.606,6 5.606,7 3.606,9 2.082,11 1.041,12 1.041,13 1.444,14 1.506,15 1.383,16 0.831,17 1.324,18 1.265,19 1.208,21 1.591,23 0.811,27 6.206,28 160.947,29 -0.006,30 8.709,32 2.463,33 7.15,34 1,35 0.705,36 1.722,37 1.616,38 6.68,39 12.287,40 101.373,41 1.153,42 2.228,43 0.668,44 1.761,45 0.047,46 6.965,47 12,48 6.529,49 6.38,50 0.164,51 0.305,52 47.063,53 4.703,54 2.861,55 3,56 82.398,57 56.782,58 1.255,59 1.776,60 2.829,61 6.612,62 0.499,63 0.612,64 0.98,65 3.087,66 3.087,67 0.654,68 3.823,70 4.991,71 5.2}
{0 CHEMBL2001485,3 10.3,4 5.413,5 3.829,6 5.829,7 3.829,9 3.451,11 1.984,12 1.984,13 8.355,14 9.681,15 7.052,16 1.089,17 5.784,18 4.573,19 3.461,21 1.567,23 1.036,27 15.45,28 125.404,29 0.035,30 14.935,32 7.387,33 16.692,34 1,35 0.691,36 1.95,37 1.91,38 12.213,39 7.937,40 288.381,41 2.567,42 3.528,43 0.655,44 1.961,45 0.046,46 18.772,47 29,48 14.883,49 18.869,50 0.089,51 0.163,52 389.653,53 9.965,54 3.981,55 2,56 294.278,57 31.278,58 1.871,59 1.125,60 5.876,61 12.054,62 0.482,63 0.588,64 2.777,65 3.209,66 3.209,67 0.996,68 3.986,69 14,70 5.209,71 5.2}
{0 CHEMBL2001547,3 11.3,4 6.696,5 3.416,6 5.416,7 3.416,9 0.8,11 0.4,12 0.4,16 1.084,17 0.001,18 0.008,19 0.05,21 1.544,22 1,23 0.972,27 11.302,28 89.636,29 -0.025,30 8.536,32 5.531,33 10.129,34 1,35 0.664,36 1.943,37 1.939,38 9.089,39 8.009,40 218.671,41 0.278,42 2.719,43 0.648,44 1.951,45 0.012,46 11.518,47 22,48 8.848,49 12.594,50 0.1,51 0.168,52 254.941,53 7.385,54 3.268,55 1,56 265.342,58 1.822,59 1.188,60 4.477,61 10.31,62 0.461,63 0.561,64 1.44,65 3.204,66 3.204,67 0.982,68 3.896,69 1,70 5.204,71 5.2}
{0 CHEMBL2001668,3 12,4 4.64,5 3.705,6 5.705,7 3.705,9 2.86,11 1.629,12 1.629,13 5.892,14 6.852,15 4.946,16 0.537,17 4.023,18 3.143,19 2.344,21 1.597,23 1.014,27 4.643,28 56.429,29 -0.301,30 4.905,32 1.74,33 6.529,34 1,35 0.817,36 1.479,37 1.445,38 5.845,39 13.485,40 116.377,41 1.701,42 2.184,43 0.747,44 1.479,45 0.086,46 3.713,47 8,48 5.522,49 4.348,50 0.195,51 0.215,52 85.652,53 3.029,54 2.756,55 1,56 82.398,57 56.782,58 1.181,59 1.684,60 1.7,61 4.727,62 0.54,63 0.64,64 1.087,65 2.961,66 2.961,67 1.071,68 3.852,69 3,70 4.961,71 5.2}
{0 CHEMBL2001751,3 6.7,4 5.527,5 3.656,6 5.656,7 3.656,9 2.117,11 1.058,12 1.058,13 1.663,14 1.734,15 1.603,16 1.071,17 1.557,18 1.53,19 1.527,21 1.549,23 1.049,27 14.622,28 125.026,29 -0.079,30 11.988,32 6.13,33 14.833,34 1,35 0.7,36 1.899,37 1.889,38 11.675,39 7.943,40 273.525,41 1.552,42 3.274,43 0.675,44 1.9,45 0.026,46 15.582,47 24,48 12.562,49 16.307,50 0.089,51 0.043,52 322.86,53 8.827,54 3.838,56 235.422,58 1.802,59 0.976,60 5.147,61 11.463,62 0.475,63 0.539,64 2.352,65 3.192,66 3.192,67 1.039,68 4.083,69 16,70 5.192,71 5.2}
{0 CHEMBL2001920,3 8.7,4 4.961,5 4.876,6 6.876,7 4.876,9 8.638,11 4.503,12 4.503,13 18.364,14 21.331,15 15.402,16 0.254,17 12.447,18 9.499,19 6.566,21 1.774,23 1.12,27 3.47,28 28.429,29 0.064,30 4.111,32 1.044,33 6.333,35 0.874,36 1.46,37 1.255,38 4.59,39 14.836,40 87.593,41 3.784,42 2.135,43 0.823,44 1.492,45 0.225,46 3.031,47 5,48 3.727,49 2.934,50 0.244,51 0.284,52 40.698,53 2.701,54 2.712,56 35.313,57 123.366,58 1.082,59 1.508,60 1.226,61 3.187,62 0.554,63 0.665,64 0.926,65 3.23,66 3.23,67 1.07,68 3.693,69 6,70 5.23,71 6.2}
{0 CHEMBL2001923,3 6.1,4 6.38,5 3.624,6 5.624,7 3.624,9 2.117,11 1.058,12 1.058,13 1.736,14 1.783,15 1.708,16 1.194,17 1.709,18 1.749,19 1.85,21 1.564,22 1,23 0.994,27 20.221,28 132.239,29 -0.074,30 20.006,32 8.424,33 20.46,34 2,35 0.691,36 2.027,37 2.008,38 17.245,39 8.241,40 299.776,41 2.082,42 3.752,43 0.674,44 2.031,45 0.019,46 25.726,47 32,48 19.11,49 24.05,50 0.064,51 0.051,52 889.529,53 12.461,54 4.24,56 398.013,58 1.994,59 1.019,60 7.414,61 16.779,62 0.467,63 0.538,64 3.503,65 3.202,66 3.202,67 0.979,68 4.042,69 10,70 5.202,71 5.2}
{0 CHEMBL2001957,3 10.5,4 5.561,5 4.271,6 6.271,7 4.271,9 4.53,11 3.02,12 3.02,13 13.264,14 15.474,15 11.055,16 0.989,17 8.85,18 6.665,19 4.561,21 1.552,22 1,23 1.139,27 12.106,28 99.112,29 -0.097,30 8.934,32 5.435,33 11.629,34 1,35 0.655,36 1.974,37 1.913,38 10.067,39 8.605,40 222.077,41 2.802,42 2.929,43 0.655,44 1.967,45 0.079,46 12.016,47 22,48 9.98,49 14.208,50 0.112,51 0.158,52 301.158,53 8.075,54 3.476,55 1,56 295.262,58 1.783,59 1.142,60 4.908,61 11.126,62 0.449,63 0.538,64 1.789,65 3.179,66 3.179,67 1.098,68 3.901,69 2,70 5.179,71 5.2}
{0 CHEMBL2001998,1 8.975,3 11.5,4 4.702,5 4.057,6 6.057,7 4.057,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.276,14 10.679,15 7.882,16 1.108,17 6.502,18 5.152,19 3.883,20 2.047,21 1.597,23 1.008,24 1,25 1,26 1,27 16.159,28 47.381,29 -0.047,30 12.432,31 1,32 6.922,33 16.559,34 1,35 0.665,36 1.958,37 1.941,38 11.573,39 7.501,40 237.579,41 2.895,42 3.52,43 0.637,44 1.962,45 0.054,46 18.194,47 27,48 12.14,49 17.179,50 0.107,51 0.077,52 314.889,53 8.44,54 3.966,55 2,56 294.278,58 1.8,59 1.207,60 5.148,61 9.297,62 0.47,63 0.564,64 2.676,65 3.272,66 3.272,67 1.04,68 3.946,69 8,70 5.272,71 5.2}
{0 CHEMBL2002165,3 10.2,4 5.333,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 1.053,17 4.156,18 3.244,19 2.415,21 1.533,23 0.957,27 12.557,28 168.087,29 -0.039,30 12.258,32 5.721,33 15.278,34 1,35 0.701,36 1.937,37 1.907,38 11.015,39 8.519,40 262.975,41 1.758,42 3.398,43 0.676,44 1.935,45 0.041,46 13.584,47 23,48 12.247,49 15.066,50 0.089,51 0.108,52 353.473,53 8.788,54 3.864,56 226.84,57 31.278,58 1.867,59 1.195,60 5.102,61 9.96,62 0.477,63 0.558,64 2.571,65 3.207,66 3.207,67 0.866,68 3.975,69 11,70 5.207,71 5.2}
{0 CHEMBL2002240,1 9.389,3 10.8,4 4.245,5 4.083,6 6.083,7 4.083,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.429,14 10.824,15 8.039,16 0.728,17 6.657,18 5.291,19 3.961,20 2.091,21 1.637,23 0.953,24 1,25 1,26 1,27 7.172,28 108.707,29 -0.196,30 5.691,31 1,32 3.447,33 8.565,35 0.71,36 1.709,37 1.709,38 5.931,39 8.172,40 224.053,41 2.73,42 2.496,43 0.687,44 1.717,45 0.081,46 7.226,47 14,48 6.678,49 8.935,50 0.163,51 0.149,52 181.929,53 4.945,54 3.084,55 2,56 129.482,58 1.61,59 1.151,60 2.867,61 5.382,62 0.475,63 0.543,64 1.236,65 3.102,66 3.102,67 0.931,68 3.928,69 14,70 5.102,71 5.2}
{0 CHEMBL2002322,3 5.9,4 5.034,5 4.482,6 6.482,7 4.482,9 5.335,11 3.825,12 3.825,13 16.793,14 19.476,15 14.11,16 0.685,17 11.427,18 8.751,19 6.115,21 1.553,23 1.247,27 5.074,28 37.905,29 -0.161,30 6.932,32 2.158,33 8.231,35 0.715,36 1.68,37 1.538,38 6.948,39 11.48,40 143.326,41 3.752,42 2.394,43 0.747,44 1.696,45 0.137,46 5.567,47 8,48 8.324,49 6.064,50 0.16,51 0.21,52 147.569,53 6.046,54 2.999,56 160.387,57 31.278,58 1.224,59 1.871,60 3.294,61 6.019,62 0.449,63 0.515,64 1.325,65 3.156,66 3.156,67 1.279,68 3.919,69 9,70 5.156,71 5.2}
{0 CHEMBL2002323,3 13.8,4 5.81,5 3.241,6 5.241,7 3.241,16 0.572,21 1.557,23 1.067,27 5.572,28 89.326,29 0.351,30 4.501,32 2.717,33 6.556,34 1,35 0.69,36 1.566,37 1.5,38 4.682,39 8.354,40 155.056,42 2.171,43 0.675,44 1.612,46 5.698,47 11,48 5.193,49 6.48,50 0.162,51 0.141,52 89.703,53 4.016,54 2.787,56 120.9,58 1.431,59 1.107,60 2.297,61 2.92,62 0.466,63 0.542,64 1.049,65 3.009,66 3.009,67 1.111,68 3.919,69 8,70 5.009,71 5.2}
{0 CHEMBL2002373,3 7.9,4 3.069,5 3.255,6 5.255,7 3.255,16 0.974,21 1.474,23 0.915,27 9.807,28 109.017,29 0.019,30 6.68,32 4.407,33 7.571,34 1,35 0.679,36 1.863,37 1.872,38 6.975,39 7.352,40 145.042,42 2.429,43 0.644,44 1.857,46 9.381,47 17,48 6.532,49 9.309,50 0.142,51 0.033,52 125.766,53 5.252,54 2.945,56 188.338,58 1.467,59 1.104,60 3.338,61 8.057,62 0.478,63 0.556,64 1.211,65 3.118,66 3.118,67 0.933,68 3.866,69 4,70 5.118,71 5.2}
{0 CHEMBL2002407,1 18.292,3 15.6,4 3.542,5 4.11,6 6.11,7 4.11,8 1,9 4.069,10 2,11 2.035,12 2.035,13 9.911,14 11.331,15 8.49,16 0.574,17 7.07,18 5.655,19 4.258,20 3.888,21 1.715,23 1.076,24 2,25 2,26 2,27 4.859,28 70.802,29 0.129,30 4.799,31 2,32 2.39,33 8.095,34 1,35 0.694,36 1.642,37 1.57,38 4.391,39 8.791,40 230.218,41 2.947,42 2.429,43 0.691,44 1.691,45 0.092,46 5.961,47 11,48 4.969,49 5.745,50 0.187,51 0.21,52 74.135,53 3.847,54 3.055,55 1,56 82.398,58 1.496,59 1.294,60 2.356,61 3.536,62 0.46,63 0.528,64 1.156,65 3.059,66 3.059,67 1.174,68 3.901,69 5,70 5.059,71 8.3}
{0 CHEMBL2002446,3 6.3,4 2.125,5 3.451,6 5.451,7 3.451,9 2.837,11 1.419,12 1.419,13 4.9,14 5.593,15 4.214,16 1.041,17 3.544,18 2.916,19 2.393,20 6.408,21 1.525,23 1.096,24 2,25 1,26 2,27 18.126,28 45.554,29 0.022,30 13.54,32 8.214,33 15.606,34 1,35 0.683,36 1.775,37 1.775,38 13.273,39 7.281,40 177.703,41 2.13,42 3.389,43 0.632,44 1.776,45 0.037,46 18.396,47 30,48 14.808,49 20.69,50 0.091,51 0.031,52 186.449,53 10.521,54 3.892,56 341.362,57 31.278,58 1.723,59 1.16,60 6.217,61 11.159,62 0.493,63 0.606,64 2.782,65 3.274,66 3.274,67 1.054,68 3.958,69 12,70 5.274,71 5.2}
{0 CHEMBL2002479,3 7.5,4 5.261,5 3.659,6 5.659,7 3.659,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 1.065,17 1.674,18 1.616,19 1.605,21 1.549,22 1,23 0.924,27 12.603,28 85.286,29 -0.126,30 9.794,32 5.218,33 13.656,34 1,35 0.7,36 1.901,37 1.905,38 10.422,39 8.471,40 222.848,41 1.72,42 3.233,43 0.675,44 1.901,45 0.03,46 12.346,47 21,48 9.992,49 12.138,50 0.102,51 0.095,52 276.414,53 7.883,54 3.684,56 200.109,58 1.839,59 1.014,60 4.482,61 9.615,62 0.479,63 0.56,64 2.074,65 3.216,66 3.216,67 0.952,68 4.049,69 13,70 5.216,71 5.2}
{0 CHEMBL2002553,3 10,4 3.682,5 3.631,6 5.631,7 3.631,9 2.873,11 1.437,12 1.437,13 5.047,14 5.769,15 4.33,16 0.225,17 3.619,18 2.922,19 2.253,21 1.582,23 0.881,27 2.114,29 -0.744,30 2.667,32 1.243,33 4.929,35 0.727,36 1.31,37 1.102,38 2.968,39 10.512,40 59.376,41 1.635,42 1.835,43 0.721,44 1.373,45 0.096,46 1.836,47 6,48 4.155,49 3.001,50 0.242,51 0.226,52 30.23,53 2.74,54 2.39,55 1,56 47.084,57 31.052,58 0.961,60 1.74,61 1.376,62 0.474,63 0.571,64 0.806,65 3.112,66 3.112,67 0.884,68 3.521,70 5.061,71 6.1}
{0 CHEMBL2002635,3 15.8,4 3.819,5 3.529,6 5.529,7 3.529,9 2.117,11 1.058,12 1.058,13 1.6,14 1.691,15 1.512,16 0.2,17 1.43,18 1.362,19 1.327,21 1.589,23 1.114,27 3.166,28 61.326,29 0.921,30 1.808,31 1,32 1.521,33 5.167,35 0.684,36 1.243,37 1.227,38 2.563,39 8.483,40 118.145,41 1.376,42 1.918,43 0.675,44 1.238,45 0.081,46 2.477,47 7,48 2.583,49 3.631,50 0.271,51 0.133,52 46.449,53 2.198,54 2.466,56 47.084,58 1.034,59 0.033,60 1.302,61 0.665,62 0.461,63 0.52,64 0.889,65 2.856,66 2.856,67 1.077,68 3.543,69 1,70 4.856,71 4.9}
{0 CHEMBL2002649,3 10.3,4 4.899,5 3.657,6 5.657,7 3.657,9 2.117,11 1.058,12 1.058,13 1.663,14 1.734,15 1.603,16 0.574,17 1.557,18 1.53,19 1.527,21 1.558,23 1.049,27 5.273,28 46.952,29 -0.144,30 4.569,32 2.624,33 7.056,34 1,35 0.689,36 1.651,37 1.567,38 4.51,39 8.32,40 139.869,41 1.552,42 2.261,43 0.676,44 1.683,45 0.053,46 5.939,47 11,48 4.53,49 5.513,50 0.183,51 0.1,52 42.091,53 3.81,54 2.854,56 105.94,58 1.551,59 0.802,60 2.306,61 2.919,62 0.465,63 0.54,64 1.068,65 3.17,66 3.17,67 1.082,68 3.908,69 4,70 5.17,71 5.2}
{0 CHEMBL2002682,3 3.7,4 6.498,5 3.632,6 5.632,7 3.632,9 2.117,11 1.058,12 1.058,13 1.78,14 1.816,15 1.767,16 1.206,17 1.782,18 1.831,19 1.916,21 1.512,23 0.869,27 22.435,28 123.191,29 0.023,30 18.721,32 10,33 16.023,34 1,35 0.672,36 1.932,37 1.953,38 16.97,39 7.41,40 270.763,41 2.038,42 3.4,43 0.633,44 1.93,45 0.023,46 25.065,47 38,48 17.602,49 23.234,50 0.077,51 0.094,52 500.962,53 13.144,54 3.876,56 400.217,58 1.866,59 1.031,60 7.731,61 19.142,62 0.483,63 0.586,64 2.397,65 3.287,66 3.287,67 0.842,68 4.091,69 27,70 5.287,71 5.2}
{0 CHEMBL2002702,3 6.3,4 4.96,5 3.655,6 5.655,7 3.655,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.87,17 1.422,18 1.338,19 1.255,21 1.586,23 1.112,27 7.318,28 56.857,29 -0.368,30 5.255,32 3.668,33 7.111,34 1,35 0.689,36 1.795,37 1.794,38 5.51,39 7.447,40 131.836,41 1.176,42 2.177,43 0.654,44 1.771,45 0.053,46 7.059,47 14,48 6.24,49 8.613,50 0.183,51 0.154,52 42.492,53 4.844,54 2.842,56 141.253,58 1.545,59 1.121,60 2.797,61 4.072,62 0.48,63 0.576,64 0.914,65 3.167,66 3.167,67 1.126,68 3.951,69 9,70 5.167,71 5.2}
{0 CHEMBL2002726,3 8.2,4 2.392,5 3.148,6 5.148,7 3.148,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.967,17 0.469,18 0.593,19 0.739,21 1.497,23 1.087,27 12.615,28 85.286,29 -0.014,30 8.953,32 5.765,33 11.889,34 1,35 0.68,36 1.866,37 1.849,38 9.183,39 7.316,40 224.616,41 0.908,42 2.967,43 0.644,44 1.87,45 0.029,46 12.626,47 22,48 10.137,49 14.244,50 0.105,51 0.07,52 258.152,53 7.253,54 3.544,56 223.651,58 1.765,59 0.981,60 4.355,61 7.822,62 0.479,63 0.564,64 1.901,65 3.059,66 3.059,67 1.082,68 3.967,69 12,70 5.059,71 6.5}
{0 CHEMBL2002992,3 9.3,4 5.437,5 3.718,6 5.718,7 3.718,9 3.306,11 1.907,12 1.907,13 7.771,14 9.051,15 6.501,16 1.012,17 5.25,18 4.037,19 2.904,21 1.542,23 1.067,27 13.595,28 28,29 0.071,30 8.146,32 5.621,33 8.857,34 1,35 0.636,36 1.763,37 1.786,38 8.754,39 6.661,40 152.239,41 1.953,42 2.529,43 0.594,44 1.756,45 0.083,46 12.658,47 22,48 9.033,49 13.981,50 0.162,51 0.124,52 124.582,53 6.909,54 3.144,56 211.88,58 1.639,59 0.977,60 3.768,61 5.818,62 0.473,63 0.586,64 1.497,65 2.986,66 2.986,67 1.116,68 3.972,69 6,70 4.986,71 5.2}
{0 CHEMBL2003271,3 6.1,4 5.46,5 3.662,6 5.662,7 3.662,9 2.117,11 1.058,12 1.058,13 1.874,14 1.935,15 1.817,16 0.729,17 1.766,18 1.719,19 1.677,21 1.633,23 0.969,27 5.449,28 56.857,29 -0.005,30 5.414,32 1.908,33 8.833,35 0.817,36 1.7,37 1.561,38 6.169,39 12.112,40 138.296,41 1.641,42 2.48,43 0.781,44 1.715,45 0.041,46 4.311,47 9,48 6.682,49 5.43,50 0.141,51 0.258,52 137.672,53 3.627,54 3.085,56 70.627,57 31.278,58 1.311,59 1.214,60 2.043,61 5.708,62 0.518,63 0.624,64 1.208,65 3.108,66 3.108,67 1.09,68 3.924,69 10,70 5.108,71 5.7}
{0 CHEMBL2003286,3 3.8,4 4.309,5 4.802,6 6.802,7 4.802,9 8.335,11 4.337,12 4.337,13 17.926,14 20.819,15 15.039,16 0.555,17 12.158,18 9.282,19 6.422,21 1.68,23 1.147,27 4.078,28 37.905,29 0.153,30 4.887,32 2.119,33 7.235,35 0.712,36 1.525,37 1.487,38 4.8,39 9.665,40 84.553,41 3.703,42 2.257,43 0.699,44 1.522,45 0.241,46 4.807,47 9,48 4.446,49 4.375,50 0.267,51 0.186,52 55.594,53 4.014,54 2.899,55 1,56 82.398,57 32.22,58 1.239,59 1.93,60 2.487,61 3.103,62 0.475,63 0.571,64 1.073,65 2.819,66 2.819,67 1.232,68 3.716,69 3,70 4.819,71 8.4}
{0 CHEMBL2003341,3 4.8,4 5.507,5 3.592,6 5.592,7 3.592,9 2.162,11 1.081,12 1.081,13 1.807,14 1.939,15 1.679,16 0.869,17 1.555,18 1.438,19 1.343,21 1.527,23 1.039,27 10.212,28 127.97,29 0.121,30 9.262,32 4.004,33 11.077,35 0.732,36 1.845,37 1.835,38 8.464,39 9.221,40 162.626,41 1.331,42 2.888,43 0.699,44 1.845,45 0.039,46 10.869,47 16,48 8.749,49 10.284,50 0.128,51 0.162,52 290.354,53 5.711,54 3.437,56 164.795,58 1.627,59 0.816,60 3.429,61 6.791,62 0.496,63 0.585,64 1.846,65 2.934,66 2.934,67 1.028,68 3.946,69 12,70 4.934,71 5.2}
{0 CHEMBL2003420,3 10.7,4 4.69,5 3.533,6 5.533,7 3.533,9 2.921,11 1.659,12 1.659,13 6.806,14 7.802,15 5.822,16 1.081,17 4.858,18 3.935,19 3.092,21 1.441,23 1.081,27 14.722,28 37.905,29 -0.132,30 7.47,32 6.778,33 16.5,35 0.631,36 1.964,37 1.975,38 9.238,39 6.867,40 213.192,41 2.459,42 3.379,43 0.596,44 1.943,45 0.057,46 12.212,47 28,48 8.056,49 13.315,50 0.122,51 0.051,52 244.626,53 7.328,54 3.992,56 282.506,58 1.793,59 0.995,60 4.423,61 7.139,62 0.467,63 0.571,64 2.643,65 2.505,66 2.505,67 1.132,68 3.923,69 1,70 4.444,71 5.2}
{0 CHEMBL2003456,3 12,4 4.086,5 3.615,6 5.615,7 3.615,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.265,17 4.156,18 3.244,19 2.415,21 1.558,23 1.073,27 4.984,28 56.857,29 -0.169,30 3.329,32 2.127,33 6.938,35 0.71,36 1.552,37 1.366,38 4.116,39 8.45,40 134.444,41 1.758,42 2.281,43 0.694,44 1.625,45 0.092,46 4.316,47 9,48 3.841,49 5.083,50 0.201,51 0.044,52 77.993,53 3.176,54 2.845,55 1,56 82.398,58 1.181,59 0.984,60 1.87,61 1.908,62 0.471,63 0.525,64 1.078,65 2.95,66 2.95,67 1.065,68 3.842,69 7,70 4.95,71 5.2}
{0 CHEMBL2003482,3 9.1,4 4.973,5 3.639,6 5.639,7 3.639,9 3.497,11 1.987,12 1.987,13 8.273,14 9.631,15 6.927,16 0.951,17 5.601,18 4.312,19 3.1,21 1.54,23 1.104,27 8.41,28 37.905,29 0.12,30 4.27,32 3.628,33 8.737,34 1,35 0.694,36 1.706,37 1.684,38 6.428,39 8.356,40 119.041,41 2.076,42 2.55,43 0.66,44 1.699,45 0.095,46 5.516,47 14,48 5.361,49 7.302,50 0.173,51 0.113,52 62.967,53 5.171,54 3.118,56 141.253,58 1.542,59 0.904,60 2.835,61 3.657,62 0.487,63 0.586,64 1.357,65 3.002,66 3.002,67 1.086,68 3.939,69 6,70 5.002,71 5.2}
{0 CHEMBL2003524,3 5.7,4 5,5 3.824,6 5.824,7 3.824,9 2.4,11 1.2,12 1.2,13 2.977,14 3.305,15 2.673,16 0.632,17 2.41,18 2.21,19 2.099,21 1.623,23 0.774,27 6.587,28 18.952,29 -0.028,30 7.418,32 3.555,33 7,35 0.669,36 1.603,37 1.603,38 5.766,39 8.18,40 120.616,41 2.094,42 2.213,43 0.659,44 1.627,45 0.052,46 8.997,47 14,48 6.178,49 7.117,50 0.166,51 0.225,52 76.126,53 5.167,54 2.809,55 2,56 153.024,58 1.575,59 1.005,60 3.165,61 5.476,62 0.459,63 0.569,64 0.952,65 3.33,66 3.33,67 0.879,68 3.71,69 5,70 5.33,71 5.2}
{0 CHEMBL2003638,3 12.5,4 5.489,5 3.585,6 5.585,7 3.585,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 1.059,17 1.425,18 1.348,19 1.297,21 1.533,23 1.124,27 9.71,28 122.762,29 0.12,30 6.807,32 4.325,33 13.065,34 2,35 0.708,36 1.978,37 1.982,38 8.217,39 8.593,40 244.369,41 1.331,42 3.112,43 0.696,44 1.975,45 0.03,46 8.28,47 17,48 7.948,49 9.733,50 0.102,51 0.043,52 292.651,53 6.229,54 3.675,56 191.527,58 1.618,59 1.025,60 3.825,61 6.451,62 0.468,63 0.525,64 2.2,65 3.065,66 3.065,67 1.16,68 4.002,69 7,70 5.065,71 8.2}
{0 CHEMBL2003657,3 10.2,4 5.909,5 4.704,6 6.704,7 4.704,16 1.054,21 1.593,23 0.945,27 10.496,28 121.735,29 0.216,30 9.883,32 4.574,33 10.129,34 2,35 0.724,36 1.933,37 1.886,38 10.98,39 9.298,40 195.922,42 2.729,43 0.694,44 1.916,46 10.287,47 18,48 10.64,49 10.203,50 0.134,51 0.156,52 150.457,53 8.201,54 3.293,55 2,56 203.298,57 31.278,58 1.615,59 0.98,60 4.69,61 12.687,62 0.488,63 0.59,64 1.44,65 3.325,66 3.325,67 1.164,68 4.118,69 4,70 5.325,71 5.2}
{0 CHEMBL2003768,3 7.1,4 3.866,5 3.603,6 5.603,7 3.603,9 1.72,11 0.86,12 0.86,13 0.58,14 0.449,15 0.741,16 0.845,17 0.936,18 1.168,19 1.446,21 1.516,23 1.044,27 7.123,28 47.381,29 0.088,30 7.219,31 2,32 4.155,33 10.8,35 0.671,36 1.829,37 1.768,38 5.887,39 8.08,40 161.647,41 1.782,42 2.855,43 0.657,44 1.85,45 0.032,46 9.526,47 17,48 6.676,49 8.329,50 0.133,51 0.145,52 176.35,53 5.203,54 3.411,55 3,56 176.567,58 1.591,59 0.821,60 3.703,61 6.188,62 0.461,63 0.552,64 1.504,65 3.152,66 3.152,67 1.109,68 3.918,69 1,70 5.152,71 5.2}
{0 CHEMBL2003817,3 14.7,4 4.961,5 4.461,6 6.461,7 4.461,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.7,17 10.736,18 8.065,19 5.464,21 1.514,23 1.029,27 4.781,28 37.905,29 -0.121,30 4.66,32 2.305,33 10.167,35 0.687,36 1.679,37 1.636,38 4.947,39 9.803,40 185.495,41 3.244,42 2.757,43 0.708,44 1.715,45 0.147,46 4.753,47 10,48 5.63,49 5.435,50 0.172,51 0.111,52 201.536,53 4.262,54 3.304,55 1,56 139.049,58 1.364,59 0.95,60 2.596,61 3.58,62 0.445,63 0.5,64 1.611,65 3.051,66 3.051,67 1.018,68 3.894,69 3,70 5.051,71 5.2}
{0 CHEMBL2004290,3 9.1,4 5.423,5 3.562,6 5.562,7 3.562,9 2.912,11 1.656,12 1.656,13 6.092,14 7.084,15 5.114,16 1.065,17 4.165,18 3.275,19 2.508,21 1.542,23 1.083,27 14.688,28 168.087,29 0.133,30 13.858,32 7.073,33 16.711,34 1,35 0.688,36 1.951,37 1.946,38 12.177,39 8.01,40 278.806,41 1.985,42 3.514,43 0.655,44 1.951,45 0.039,46 17.068,47 28,48 14.786,49 19.554,50 0.085,51 0.141,52 380.368,53 10.059,54 3.959,56 270.735,57 31.278,58 1.884,59 1.184,60 5.876,61 10.703,62 0.48,63 0.58,64 2.711,65 3.208,66 3.208,67 0.986,68 3.978,69 12,70 5.208,71 5.2}
{0 CHEMBL2004311,3 5.8,4 5.392,5 3.652,6 5.652,7 3.652,9 2.912,11 1.656,12 1.656,13 6.102,14 7.088,15 5.137,16 1.038,17 4.212,18 3.362,19 2.64,21 1.573,23 1.141,27 13.13,28 85.286,29 -0.381,30 10.166,32 6.06,33 11.897,35 0.683,36 1.882,37 1.897,38 9.956,39 7.413,40 204.693,41 2.15,42 2.962,43 0.649,44 1.875,45 0.052,46 13.642,47 23,48 11.451,49 15.661,50 0.114,51 0.156,52 285.132,53 8.04,54 3.51,56 235.422,58 1.639,59 0.77,60 4.63,61 8.136,62 0.478,63 0.577,64 1.983,65 3.226,66 3.226,67 1.162,68 3.981,69 19,70 5.226,71 5.2}
{0 CHEMBL2004355,1 9.085,3 11.6,4 5.269,5 4.661,6 6.661,7 4.661,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.218,14 10.638,15 7.799,16 0.907,17 6.385,18 4.99,19 3.669,20 1.887,21 1.671,23 0.988,24 1,25 1,26 1,27 8.638,28 117.377,29 -0.173,30 6.517,31 1,32 4.003,33 11.192,35 0.676,36 1.76,37 1.782,38 7.651,39 8.731,40 232.505,41 2.606,42 2.888,43 0.658,44 1.738,45 0.075,46 8.299,47 17,48 7.221,49 8.472,50 0.173,51 0.222,52 198.651,53 6.371,54 3.434,55 2,56 141.253,58 1.547,59 0.721,60 3.803,61 5.734,62 0.468,63 0.566,64 1.746,65 3.002,66 3.002,67 1.054,68 3.959,69 2,70 5.002,71 5.2}
{0 CHEMBL2004365,3 6.4,4 6.155,5 4.722,6 6.669,7 4.722,9 6.301,11 3.151,12 3.151,13 14.464,14 16.759,15 12.17,16 0.874,17 9.881,18 7.608,19 5.407,21 1.65,23 0.889,27 9.674,28 62.679,29 -0.33,30 13.38,32 4.196,33 9.2,35 0.747,36 1.728,37 1.718,38 10.787,39 9.779,40 175.705,41 3.534,42 2.666,43 0.706,44 1.713,45 0.095,46 10.285,47 17,48 10.343,49 8.696,50 0.143,51 0.153,52 78.842,53 8.297,54 3.093,55 3,56 153.024,57 94.775,58 1.621,59 1.175,60 4.364,61 13.011,62 0.501,63 0.608,64 1.427,65 3.341,66 3.341,67 1.065,68 3.87,69 7,70 5.288,71 5.9}
{0 CHEMBL2004419,3 10.2,4 7.074,5 3.417,6 5.417,7 3.417,16 1.05,21 1.577,23 0.947,27 11.088,28 106.451,29 0.114,30 9.784,32 4.916,33 10,34 2,35 0.707,36 1.907,37 1.921,38 9.478,39 8.643,40 199.278,42 2.698,43 0.679,44 1.9,46 11.599,47 19,48 9.952,49 12.37,50 0.1,51 0.137,52 143.894,53 7.549,54 3.279,56 230.029,57 31.278,58 1.611,59 1.047,60 4.353,61 12.209,62 0.48,63 0.575,64 1.333,65 3.197,66 3.197,67 0.932,68 4.087,69 3,70 5.197,71 5.2}
{0 CHEMBL2004438,3 10.6,4 5.16,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.998,17 10.736,18 8.065,19 5.464,21 1.528,23 1.038,27 8.86,28 127.66,29 0.438,30 8.175,32 3.867,33 13.419,35 0.694,36 1.944,37 1.93,38 7.937,39 9.009,40 249.498,41 3.244,42 3.127,43 0.695,44 1.945,45 0.113,46 9.308,47 16,48 8.948,49 9.85,50 0.131,51 0.112,52 403.508,53 6.506,54 3.689,56 186.134,58 1.553,59 1.051,60 3.81,61 6.114,62 0.458,63 0.514,64 2.185,65 3.112,66 3.112,67 1.046,68 3.978,69 9,70 5.112,71 5.2}
{0 CHEMBL2004447,1 9.52,3 10,4 6.395,5 4.16,6 6.16,7 4.16,9 4.525,10 1,11 2.278,12 2.278,13 10.494,14 12.128,15 8.862,16 0.852,17 7.233,18 5.62,19 4.07,20 2.06,21 1.681,23 1.215,24 1,25 1,26 1,27 10.154,28 37.905,29 -0.182,30 8.339,31 1,32 4.362,33 6.522,34 1,35 0.669,36 1.782,37 1.736,38 8.117,39 7.809,40 209.329,41 2.759,42 2.054,43 0.647,44 1.806,45 0.091,46 11.043,47 17,48 9.251,49 12.625,50 0.166,51 0.241,52 114.26,53 6.275,54 2.703,55 1,56 179.756,58 1.417,59 0.968,60 3.558,61 7.343,62 0.466,63 0.572,64 0.888,65 3.445,66 3.445,67 1.325,68 3.891,69 10,70 5.445,71 5.2}
{0 CHEMBL2004544,3 2.4,4 4.585,5 5.174,6 7.174,7 5.174,9 5.85,11 2.925,12 2.925,13 13.572,14 15.719,15 11.426,16 0.738,17 9.282,18 7.145,19 5.046,21 1.625,22 1,23 1.052,27 8.857,28 116.245,29 -0.154,30 9.3,32 3.686,33 9.731,35 0.7,36 1.735,37 1.651,38 8.584,39 9.108,40 125.703,41 3.153,42 2.643,43 0.687,44 1.698,45 0.101,46 9.891,47 15,48 9.401,49 9.607,50 0.178,51 0.109,52 185.268,53 6.667,54 3.254,56 141.253,58 1.468,59 0.844,60 4.344,61 7.504,62 0.471,63 0.549,64 1.388,65 3.228,66 3.228,67 1.043,68 3.965,69 6,70 5.228,71 6.2}
{0 CHEMBL2004615,3 17.9,4 4.301,5 4.375,6 6.375,7 4.375,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.589,17 9.348,18 7.186,19 5.039,21 1.694,23 0.845,27 4.002,28 61.326,29 -0.024,30 4.264,32 2.483,33 6.412,34 1,35 0.693,36 1.561,37 1.521,38 3.439,39 8.905,40 159.354,41 3.012,42 2.184,43 0.664,44 1.567,45 0.164,46 4.567,47 11,48 3.542,49 4.311,50 0.243,51 0.2,52 54.336,53 3.973,54 2.721,55 2,56 82.398,57 32.22,58 1.345,59 1.148,60 2.225,61 4.299,62 0.48,63 0.585,64 1.024,65 3.106,66 3.106,67 0.88,68 3.78,70 5.05,71 5.2}
{0 CHEMBL2004692,3 20.5,4 5.607,5 3.615,6 5.615,7 3.615,9 1.96,11 0.98,12 0.98,13 0.942,14 0.917,15 0.967,16 0.683,17 0.993,18 1.019,19 1.045,21 1.533,23 1.076,27 6.094,28 106.88,29 -0.08,30 4.567,31 1,32 2.744,33 9.815,34 1,35 0.721,36 1.703,37 1.593,38 5.669,39 9.755,40 244.07,41 1.072,42 2.661,43 0.714,44 1.753,45 0.033,46 4.115,47 12,48 4.58,49 4.86,50 0.121,51 0.058,52 82.072,53 4.93,54 3.241,55 6,56 105.94,57 31.278,58 1.502,59 0.8,60 2.926,61 4.861,62 0.47,63 0.537,64 1.553,65 3.177,66 3.177,67 1.174,68 3.876,69 3,70 5.177,71 5.2}
{0 CHEMBL2004716,3 8.2,4 5.407,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.1,14 7.087,15 5.133,16 1.131,17 4.206,18 3.357,19 2.65,21 1.506,23 0.926,27 18.571,28 135.309,29 -0.193,30 16.688,32 8.719,33 17.385,35 0.675,36 1.969,37 1.965,38 13.752,39 7.435,40 286.08,41 2.197,42 3.526,43 0.632,44 1.963,45 0.039,46 22.175,47 34,48 16.105,49 21.68,50 0.085,51 0.136,52 404.817,53 11.185,54 4.037,56 341.362,57 31.278,58 1.908,59 1.108,60 6.569,61 11.721,62 0.485,63 0.597,64 3.266,65 3.176,66 3.176,67 0.865,68 3.969,69 13,70 5.176,71 5.2}
{0 CHEMBL2004771,3 7.3,4 4.842,5 3.65,6 5.65,7 3.65,9 2.162,11 1.081,12 1.081,13 1.807,14 1.939,15 1.679,16 0.996,17 1.555,18 1.44,19 1.356,21 1.554,22 1,23 1,27 9.098,28 104.239,29 -0.037,30 7.074,32 3.781,33 11.038,34 1,35 0.719,36 1.872,37 1.881,38 7.583,39 8.327,40 190.927,41 1.412,42 2.903,43 0.699,44 1.87,45 0.036,46 8.677,47 15,48 7.382,49 8.693,50 0.122,51 0.027,52 214.678,53 5.668,54 3.424,56 153.024,58 1.574,59 1.035,60 3.335,61 5.676,62 0.476,63 0.532,64 1.808,65 3.194,66 3.194,67 1.039,68 4.048,69 14,70 5.194,71 5.2}
{0 CHEMBL2004871,3 7.9,4 5.136,5 3.259,6 5.259,7 3.259,16 0.969,21 1.494,23 0.918,27 9.151,28 99.541,29 0.12,30 6.704,32 4.123,33 8.318,34 1,35 0.677,36 1.863,37 1.872,38 7.049,39 7.825,40 144.687,42 2.517,43 0.654,44 1.857,46 9.069,47 16,48 6.584,49 8.757,50 0.136,51 0.06,52 133.454,53 5.302,54 3.046,56 191.527,58 1.467,59 1.108,60 3.369,61 8.087,62 0.469,63 0.545,64 1.256,65 3.12,66 3.12,67 0.933,68 3.873,69 3,70 5.12,71 5.2}
{0 CHEMBL2004872,3 6.8,4 5.463,5 3.586,6 5.586,7 3.586,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 0.834,17 1.674,18 1.614,19 1.594,21 1.516,23 1.035,27 10.214,28 85.286,29 0.29,30 8.898,32 4.934,33 11.56,35 0.682,36 1.825,37 1.78,38 7.778,39 7.578,40 196.504,41 1.661,42 2.953,43 0.652,44 1.841,45 0.04,46 11.972,47 19,48 8.379,49 11.086,50 0.133,51 0.112,52 276.588,53 6.179,54 3.508,56 211.88,58 1.716,59 0.91,60 3.886,61 7.057,62 0.475,63 0.566,64 1.898,65 2.917,66 2.917,67 1.071,68 3.947,69 9,70 4.917,71 5.2}
{0 CHEMBL2004892,3 11.4,4 4.174,5 4.311,6 6.311,7 4.311,16 0.907,21 1.582,23 1.023,27 7.085,28 105.038,29 -0.081,30 7.025,32 3.447,33 8.857,34 1,35 0.697,36 1.807,37 1.604,38 6.148,39 8.64,40 172.325,42 2.522,43 0.667,44 1.758,46 8.632,47 14,48 6.891,49 8.433,50 0.187,51 0.155,52 118.45,53 5.735,54 3.122,56 117.711,58 1.492,59 1.177,60 3.246,61 3.887,62 0.481,63 0.577,64 1.592,65 3.05,66 3.05,67 0.806,68 3.982,69 12,70 5.05,71 5.2}
{0 CHEMBL2004934,3 4.4,4 6.438,5 3.594,6 5.594,7 3.594,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 0.869,17 1.674,18 1.614,19 1.594,21 1.527,23 1.009,27 10.377,28 85.286,29 0.089,30 9.719,32 5.012,33 11.538,35 0.682,36 1.847,37 1.831,38 8.482,39 7.787,40 189.697,41 1.661,42 2.95,43 0.658,44 1.852,45 0.039,46 12.181,47 19,48 9.257,49 11.341,50 0.128,51 0.132,52 287.198,53 6.667,54 3.504,56 226.84,58 1.718,59 0.886,60 4.165,61 7.288,62 0.471,63 0.56,64 1.846,65 3.003,66 3.003,67 1.046,68 3.952,69 10,70 5.003,71 5.2}
{0 CHEMBL2005112,1 9.821,3 10.4,4 6.508,5 4.099,6 6.099,7 4.099,9 4.069,10 1,11 2.035,12 2.035,13 9.218,14 10.638,15 7.798,16 1.06,17 6.381,18 4.975,19 3.614,20 2.188,21 1.672,23 0.895,24 1,25 1,26 1,27 8.406,28 85.286,29 -0.285,30 9.256,31 1,32 3.921,33 10.906,34 2,35 0.747,36 1.945,37 1.939,38 8.154,39 10.132,40 220.354,41 2.416,42 2.804,43 0.723,44 1.945,45 0.057,46 8.857,47 16,48 8.787,49 8.953,50 0.114,51 0.213,52 243.165,53 6.333,54 3.383,55 3,56 176.567,57 45.954,58 1.746,59 1.13,60 3.659,61 9.886,62 0.5,63 0.586,64 1.537,65 3.306,66 3.306,67 0.982,68 4.062,69 7,70 5.306,71 6.4}
{0 CHEMBL2005186,3 10.3,4 4.936,5 3.618,6 5.618,7 3.618,9 3.634,11 2.03,12 2.03,13 8.557,14 9.952,15 7.174,16 1.103,17 5.814,18 4.494,19 3.268,21 1.529,22 1,23 0.985,27 12.826,28 104.239,29 0.042,30 9.229,32 6.113,33 13.118,34 2,35 0.686,36 1.958,37 1.967,38 9.647,39 7.803,40 268.428,41 2.304,42 3.136,43 0.66,44 1.957,45 0.053,46 11.917,47 24,48 10.243,49 14.13,50 0.095,51 0.083,52 360.273,53 8.068,54 3.667,56 247.193,58 1.923,59 1.191,60 4.847,61 10.183,62 0.473,63 0.555,64 2.073,65 3.018,66 3.018,67 0.983,68 4.077,69 6,70 5.018,71 7}
{0 CHEMBL2005375,3 8,4 6.122,5 3.94,6 5.94,7 3.94,9 3.465,11 1.989,12 1.989,13 8.278,14 9.639,15 6.929,16 1.211,17 5.607,18 4.35,19 3.263,21 1.543,22 1,23 0.951,27 22.963,28 28.429,29 -0.13,30 15.056,32 9.807,33 13.568,34 1,35 0.634,36 1.978,37 1.971,38 14.832,39 6.756,40 194.346,41 2.583,42 3.104,43 0.596,44 1.975,45 0.049,46 23.221,47 38,48 14.809,49 22.955,50 0.096,51 0.125,52 473.849,53 11.671,54 3.664,55 1,56 423.76,58 1.86,59 0.874,60 6.729,61 14.965,62 0.47,63 0.598,64 2.305,65 3.179,66 3.179,67 1.013,68 3.975,69 3,70 5.179,71 5.2}
{0 CHEMBL2005475,3 6.7,4 5.464,5 3.574,6 5.574,7 3.574,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.979,17 1.422,18 1.338,19 1.255,21 1.538,23 1.002,27 14.569,28 56.857,29 -0.337,30 8.862,32 5.771,33 10.75,34 1,35 0.688,36 1.748,37 1.713,38 10.835,39 7.544,40 137.868,41 1.176,42 2.907,43 0.638,44 1.756,45 0.039,46 11.455,47 21,48 10.121,49 13.436,50 0.132,51 0.028,52 155.801,53 7.977,54 3.413,56 223.651,57 31.278,58 1.622,59 1.402,60 4.461,61 7.457,62 0.494,63 0.599,64 1.771,65 3.078,66 3.078,67 1.069,68 3.946,69 9,70 5.078,71 5.2}
{0 CHEMBL2005528,3 6.1,4 4.742,5 3.671,6 5.671,7 3.671,9 3.349,11 1.674,12 1.674,13 6.884,14 7.911,15 5.861,16 0.936,17 4.85,18 3.869,19 2.956,21 1.614,23 0.872,27 8.118,28 28.429,29 -0.161,30 5.357,32 3.584,33 7.737,34 1,35 0.665,36 1.76,37 1.799,38 6.282,39 7.827,40 107.024,41 2.18,42 2.465,43 0.647,44 1.747,45 0.08,46 6.733,47 14,48 5.69,49 6.829,50 0.175,51 0.133,52 74.798,53 5.063,54 2.959,56 141.253,58 1.418,59 0.919,60 2.961,61 4.104,62 0.463,63 0.557,64 1.252,65 3.218,66 3.218,67 0.924,68 3.734,69 5,70 5.218,71 5.2}
{0 CHEMBL2005548,3 7.5,4 5.355,5 3.967,6 5.967,7 3.967,9 3.872,11 2.172,12 2.172,13 9.359,14 10.891,15 7.84,16 1.117,17 6.339,18 4.871,19 3.476,21 1.651,22 1,23 1.129,27 10.917,28 74.868,29 0.059,30 8.248,32 4.99,33 13.879,34 1,35 0.706,36 1.916,37 1.945,38 9.834,39 9.196,40 189.151,41 2.342,42 3.204,43 0.686,44 1.917,45 0.06,46 8.226,47 20,48 11.57,49 14.588,50 0.11,51 0.248,52 209.388,53 7.535,54 3.716,56 211.88,58 1.805,59 0.935,60 4.447,61 8.972,62 0.481,63 0.592,64 2.246,65 3.323,66 3.323,67 1.075,68 3.981,69 5,70 5.323,71 5.2}
{0 CHEMBL2005631,3 9.6,4 5.858,5 3.601,6 5.601,7 3.601,9 2.912,11 1.656,12 1.656,13 6.1,14 7.087,15 5.132,16 1.022,17 4.204,18 3.348,19 2.617,21 1.573,23 0.978,27 10.523,28 106.88,29 -0.189,30 10.911,32 4.911,33 13.313,35 0.704,36 1.936,37 1.877,38 9.438,39 8.645,40 245.971,41 2.084,42 3.102,43 0.679,44 1.939,45 0.047,46 12.106,47 20,48 10.756,49 11.97,50 0.103,51 0.154,52 314.849,53 7.836,54 3.667,55 1,56 191.527,57 31.278,58 1.672,59 0.951,60 4.433,61 7.544,62 0.478,63 0.567,64 2.125,65 3.202,66 3.202,67 0.959,68 3.975,69 10,70 5.202,71 5.2}
{0 CHEMBL2005792,3 11.1,4 5.51,5 3.383,6 5.383,7 3.383,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.367,16 0.986,17 0.47,18 0.597,19 0.763,21 1.548,22 1,23 1.142,27 12.409,28 99.112,29 -0.055,30 8.574,32 5.711,33 10.806,34 1,35 0.662,36 1.974,37 1.913,38 9.3,39 7.824,40 220.608,41 1.029,42 2.854,43 0.642,44 1.967,45 0.025,46 12.304,47 23,48 9.797,49 14.302,50 0.099,51 0.148,52 257.971,53 7.32,54 3.355,55 1,56 262.153,58 1.784,59 1.177,60 4.498,61 9.778,62 0.463,63 0.565,64 1.567,65 3.179,66 3.179,67 1.227,68 3.901,69 2,70 5.179,71 5.2}
{0 CHEMBL2005828,3 11.4,4 5.13,5 3.562,6 5.562,7 3.562,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.855,17 4.156,18 3.244,19 2.415,21 1.532,23 1.1,27 8.701,28 120.447,29 0.05,30 7.317,32 4.06,33 12.444,35 0.693,36 1.898,37 1.8,38 6.987,39 8.169,40 236.137,41 1.758,42 3.056,43 0.675,44 1.93,45 0.055,46 9.242,47 17,48 8.002,49 10.565,50 0.119,51 0.097,52 263.844,53 5.897,54 3.566,55 1,56 153.024,58 1.566,59 1.038,60 3.433,61 5.439,62 0.469,63 0.539,64 2.025,65 3.187,66 3.187,67 1.152,68 3.967,69 10,70 5.187,71 5.2}
{0 CHEMBL2005886,3 8.3,4 5.818,5 3.63,6 5.63,7 3.63,9 2.117,11 1.058,12 1.058,13 1.691,14 1.75,15 1.651,16 1.098,17 1.639,18 1.667,19 1.758,21 1.559,23 0.991,27 15.362,28 127.028,29 0.127,30 12.355,32 6.535,33 12.971,34 1,35 0.677,36 1.946,37 1.898,38 11.594,39 8,40 202.317,41 1.97,42 3.116,43 0.648,44 1.954,45 0.028,46 16.904,47 26,48 12.815,49 17.385,50 0.096,51 0.116,52 423.403,53 8.799,54 3.642,55 1,56 258.964,58 1.866,59 0.84,60 5.166,61 11.646,62 0.477,63 0.574,64 2.09,65 3.139,66 3.139,67 0.991,68 3.96,69 5,70 5.139,71 5.2}
{0 CHEMBL2005899,3 6.8,4 5.053,5 3.916,6 5.916,7 3.916,9 3.348,11 1.94,12 1.94,13 7.976,14 9.292,15 6.67,16 0.849,17 5.382,18 4.133,19 2.981,21 1.641,23 1.158,27 10.43,28 18.952,29 -0.406,30 9.128,31 1,32 5.357,33 7.913,35 0.642,36 1.826,37 1.782,38 7.255,39 7.168,40 135.977,41 2.129,42 2.442,43 0.612,44 1.838,45 0.081,46 12.863,47 21,48 9.561,49 14.218,50 0.163,51 0.327,52 82.66,53 5.866,54 2.976,55 2,56 235.422,58 1.671,59 1.201,60 3.96,61 6.843,62 0.465,63 0.608,64 1.149,65 3.338,66 3.338,67 1.162,68 3.875,69 3,70 5.338,71 5.2}
{0 CHEMBL2005936,3 10.5,4 5.14,5 3.598,6 5.598,7 3.598,9 3.306,11 1.907,12 1.907,13 7.771,14 9.051,15 6.501,16 1.146,17 5.251,18 4.038,19 2.912,21 1.515,23 0.969,27 14.03,28 123.191,29 0.095,30 8.726,32 6.345,33 12.152,34 2,35 0.69,36 1.965,37 1.984,38 10.216,39 7.659,40 252.328,41 2.027,42 3.037,43 0.659,44 1.95,45 0.052,46 11.856,47 24,48 9.573,49 13.451,50 0.097,51 0.053,52 291.018,53 8.133,54 3.54,56 258.964,58 1.931,59 1.14,60 4.872,61 11.54,62 0.477,63 0.555,64 1.75,65 3.173,66 3.173,67 1.017,68 4.038,69 9,70 5.173,71 6.1}
{0 CHEMBL2006010,3 11.4,4 5.115,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.645,17 10.736,18 8.065,19 5.464,21 1.555,23 0.902,27 4.711,28 56.857,29 0.392,30 5.541,32 2.011,33 10.385,35 0.738,36 1.627,37 1.579,38 5.62,39 11.463,40 167.093,41 3.244,42 2.749,43 0.75,44 1.659,45 0.137,46 4.523,47 9,48 5.976,49 5.177,50 0.159,51 0.214,52 222.989,53 4.611,54 3.351,55 1,56 127.278,58 1.374,59 0.945,60 2.604,61 3.973,62 0.47,63 0.548,64 1.538,65 3.017,66 3.017,67 0.815,68 3.949,69 5,70 5.017,71 5.2}
{0 CHEMBL2006156,3 7.4,4 5.746,5 3.748,6 5.748,7 3.748,9 2.972,11 1.701,12 1.701,13 6.409,14 7.458,15 5.372,16 0.989,17 4.358,18 3.388,19 2.511,21 1.542,23 0.848,27 12.03,28 89.813,29 0.02,30 10.544,32 6.166,33 10.5,35 0.667,36 1.742,37 1.82,38 8.58,39 7.491,40 207.552,41 1.863,42 2.744,43 0.639,44 1.736,45 0.052,46 13.976,47 24,48 10.071,49 13.982,50 0.114,51 0.165,52 162.607,53 7.672,54 3.341,55 2,56 270.735,58 1.712,59 1.107,60 4.794,61 10.669,62 0.47,63 0.581,64 1.767,65 3.106,66 3.106,67 0.827,68 3.894,69 1,70 5.106,71 5.4}
{0 CHEMBL2006188,3 6.9,4 6.067,5 3.615,6 5.615,7 3.615,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 1.138,17 1.674,18 1.616,19 1.605,21 1.49,22 1,23 0.953,27 15.364,28 85.286,29 0.058,30 12.163,32 7.148,33 11.633,35 0.656,36 1.904,37 1.911,38 10.735,39 6.975,40 240.987,41 1.72,42 2.933,43 0.618,44 1.897,45 0.034,46 17.348,47 28,48 11.659,49 16.526,50 0.113,51 0.121,52 336.619,53 8.418,54 3.517,56 282.506,58 1.816,59 0.991,60 5.19,61 11.496,62 0.476,63 0.58,64 1.791,65 3.046,66 3.046,67 0.978,68 3.952,69 11,70 5.046,71 5.2}
{0 CHEMBL2006237,3 12.5,4 4.629,5 3.546,6 5.546,7 3.546,9 1.96,11 0.98,12 0.98,13 0.994,14 0.952,15 1.046,16 1.125,17 1.111,18 1.199,19 1.339,21 1.509,22 1,23 1.027,27 15.051,28 56.857,29 0.113,30 9.669,32 6.665,33 13.345,34 1,35 0.645,36 1.98,37 1.948,38 9.657,39 7.028,40 207.527,41 1.641,42 3.142,43 0.61,44 1.99,45 0.031,46 15.455,47 27,48 10.523,49 16.725,50 0.111,51 0.09,52 285.451,53 7.129,54 3.677,55 1,56 270.735,58 1.819,59 1.085,60 4.37,61 7.981,62 0.47,63 0.575,64 2.126,65 3.091,66 3.091,67 1.033,68 3.952,69 1,70 5.091,71 5.2}
{0 CHEMBL2006263,3 10.3,4 5.382,5 4.686,6 6.686,7 4.686,16 0.883,21 1.56,23 1.027,27 7.821,28 105.038,29 0.014,30 7.588,32 4.038,33 9.957,35 0.696,36 1.771,37 1.776,38 7.063,39 8.421,40 183.723,42 2.736,43 0.663,44 1.752,46 9.105,47 16,48 8.192,49 9.025,50 0.187,51 0.186,52 196.476,53 6.067,54 3.283,56 153.024,58 1.547,59 1.074,60 3.645,61 5.636,62 0.483,63 0.589,64 1.44,65 3.097,66 3.097,67 1.082,68 4.002,69 4,70 5.097,71 6}
{0 CHEMBL2006276,3 9.8,4 5.517,5 3.629,6 5.629,7 3.629,9 2.117,11 1.058,12 1.058,13 1.663,14 1.734,15 1.603,16 0.927,17 1.558,18 1.534,19 1.549,21 1.527,22 2,23 0.984,27 8.449,28 75.81,29 -0.009,30 8.049,32 3.891,33 9.48,34 2,35 0.695,36 1.907,37 1.892,38 6.811,39 8.107,40 202.523,41 1.679,42 2.668,43 0.675,44 1.91,45 0.038,46 10.098,47 16,48 7.757,49 9.778,50 0.13,51 0.071,52 168.416,53 5.428,54 3.224,56 153.024,58 1.573,59 0.949,60 3.284,61 6.601,62 0.471,63 0.541,64 1.462,65 3.076,66 3.076,67 1.038,68 3.915,69 1,70 5.076,71 5.2}
{0 CHEMBL2006439,3 12.2,4 2.108,5 3.205,6 5.205,7 3.205,9 0.8,11 0.4,12 0.4,16 0.847,17 0.001,18 0.008,19 0.05,21 1.501,22 1,23 0.907,27 12.059,28 37.476,29 -0.19,30 6.291,32 4.63,33 9.217,34 1,35 0.688,36 1.88,37 1.791,38 8.394,39 7.996,40 159.551,41 0.278,42 2.666,43 0.649,44 1.899,45 0.015,46 8.99,47 18,48 7.508,49 10.995,50 0.123,51 0.064,52 194.788,53 6.232,54 3.2,56 188.338,57 39.149,58 1.544,59 1.37,60 3.4,61 6.06,62 0.488,63 0.586,64 1.444,65 3.088,66 3.088,67 0.918,68 3.952,69 4,70 5.088,71 6.4}
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{0 CHEMBL2006493,4 5.182,5 4.461,6 6.461,7 4.461,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.595,17 10.735,18 8.062,19 5.459,21 1.613,23 0.934,27 6.213,28 28.429,29 0.274,30 4.706,32 2.537,33 7.15,35 0.681,36 1.462,37 1.388,38 6.557,39 9.732,40 74.102,41 3.287,42 2.285,43 0.705,44 1.524,45 0.174,46 3.379,47 9,48 6.249,49 5.019,50 0.203,51 0.172,52 111.077,53 5.351,54 2.854,55 3,56 150.82,58 1.318,59 1.004,60 3.026,61 3.629,62 0.443,63 0.511,64 1.18,65 3.265,66 3.265,67 1.022,68 3.822,69 4,70 5.265,71 5.2}
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{0 CHEMBL2006581,3 9.5,4 5.29,5 4.685,6 6.685,7 4.685,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 0.898,17 1.674,18 1.614,19 1.594,21 1.607,23 0.912,27 8.621,28 117.377,29 0.042,30 7.548,32 4.004,33 9.72,35 0.683,36 1.738,37 1.778,38 7.824,39 9.164,40 185.159,41 1.661,42 2.68,43 0.658,44 1.716,45 0.042,46 8.502,47 17,48 8.062,49 8.694,50 0.18,51 0.252,52 182.946,53 6.495,54 3.25,56 141.253,58 1.549,59 0.805,60 3.833,61 6.031,62 0.479,63 0.596,64 1.536,65 3.078,66 3.078,67 0.952,68 3.938,69 3,70 5.078,71 5.2}
{0 CHEMBL2006715,3 10.4,4 6.202,5 3.766,6 5.766,7 3.766,9 3.348,11 1.94,12 1.94,13 7.977,14 9.292,15 6.674,16 1.09,17 5.396,18 4.176,19 3.091,21 1.567,22 1,23 0.917,27 13.478,28 130.411,29 -0.075,30 12.073,32 5.778,33 15.364,34 2,35 0.721,36 1.961,37 1.948,38 12.515,39 9.07,40 289.885,41 2.327,42 3.35,43 0.706,44 1.967,45 0.039,46 12.408,47 23,48 11.992,49 12.874,50 0.075,51 0.059,52 533.409,53 9.374,54 3.869,55 1,56 277.113,57 31.278,58 1.849,59 0.944,60 5.554,61 13.661,62 0.474,63 0.541,64 2.698,65 3.145,66 3.145,67 0.92,68 4.017,69 4,70 5.145,71 5.2}
{0 CHEMBL2006778,3 9.1,4 6.55,5 3.449,6 5.449,7 3.449,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.884,17 1.422,18 1.338,19 1.255,21 1.576,23 0.941,27 8.964,28 87.927,29 0.169,30 9.909,32 4.269,33 10.519,34 1,35 0.713,36 1.803,37 1.804,38 8.025,39 8.647,40 202.281,41 1.176,42 2.89,43 0.683,44 1.8,45 0.035,46 10.93,47 17,48 9.742,49 10.818,50 0.115,51 0.155,52 128.63,53 6.842,54 3.349,56 167.984,57 31.278,58 1.723,59 1.201,60 3.818,61 7.542,62 0.483,63 0.577,64 1.797,65 3.202,66 3.202,67 0.887,68 4.046,69 10,70 5.202,71 5.5}
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{0 CHEMBL2006933,3 7.4,4 4.133,5 4.364,6 6.364,7 4.364,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.624,17 9.348,18 7.185,19 5.027,21 1.691,23 0.942,27 5.063,28 28.429,29 0.137,30 5.238,32 2.563,33 6.706,35 0.747,36 1.505,37 1.523,38 4.66,39 8.975,40 107.746,41 2.913,42 2.278,43 0.706,44 1.445,45 0.155,46 5.626,47 10,48 5.025,49 5.491,50 0.23,51 0.098,52 84.92,53 4.366,54 2.759,56 105.94,57 32.22,58 1.43,59 1.631,60 2.366,61 3.331,62 0.498,63 0.59,64 1.135,65 3.164,66 3.164,67 1.084,68 3.727,69 5,70 5.164,71 6.3}
{0 CHEMBL2007002,3 6.8,4 5.635,5 3.611,6 5.611,7 3.611,9 2.117,11 1.058,12 1.058,13 1.663,14 1.734,15 1.603,16 0.979,17 1.557,18 1.53,19 1.527,21 1.546,23 1.034,27 9.2,28 104.239,29 -0.224,30 8,32 4.257,33 10.778,34 1,35 0.698,36 1.88,37 1.867,38 7.618,39 8.168,40 193.008,41 1.552,42 2.908,43 0.679,44 1.888,45 0.035,46 9.771,47 17,48 7.992,49 9.787,50 0.12,51 0.092,52 241.4,53 6.095,54 3.429,56 164.795,58 1.569,59 0.974,60 3.768,61 6.259,62 0.47,63 0.539,64 1.786,65 3.136,66 3.136,67 1.072,68 3.929,69 12,70 5.136,71 5.8}
{0 CHEMBL2007044,1 8.93,3 10.2,4 2.93,5 4.057,6 6.057,7 4.057,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.218,14 10.638,15 7.798,16 1.052,17 6.381,18 4.977,19 3.628,20 8.613,21 1.588,23 0.952,24 3,25 2,26 3,27 12.273,28 47.381,29 0.074,30 9.743,31 1,32 5.563,33 12.679,34 1,35 0.696,36 1.915,37 1.928,38 8.797,39 7.5,40 242.087,41 2.514,42 3.115,43 0.66,44 1.902,45 0.066,46 14.045,47 21,48 9.613,49 13.536,50 0.131,51 0.104,52 149.269,53 6.908,54 3.609,55 1,56 235.422,58 1.725,59 1.2,60 4.147,61 6.588,62 0.482,63 0.574,64 2.321,65 3.275,66 3.275,67 0.975,68 3.905,69 13,70 5.275,71 5.2}
{0 CHEMBL2007064,3 4.9,4 5.183,5 3.656,6 5.656,7 3.656,9 3.925,11 2.341,12 2.341,13 10.216,14 11.912,15 8.526,16 0.901,17 6.852,18 5.217,19 3.693,21 1.59,23 1.049,27 9.818,28 47.381,29 -0.448,30 8.852,32 4.666,33 9.304,34 1,35 0.67,36 1.825,37 1.799,38 7.616,39 7.57,40 131.524,41 2.468,42 2.703,43 0.644,44 1.835,45 0.094,46 12.3,47 18,48 8.455,49 11.289,50 0.146,51 0.185,52 61.351,53 6.426,54 3.167,56 176.567,58 1.669,59 1.027,60 3.754,61 6.56,62 0.47,63 0.568,64 1.448,65 3.187,66 3.187,67 1.037,68 3.968,69 12,70 5.187,71 5.4}
{0 CHEMBL2007138,3 9.1,4 4.263,5 3.868,6 5.868,7 3.868,9 2.4,11 1.2,12 1.2,13 2.943,14 3.287,15 2.61,16 0.218,17 2.296,18 2.015,19 1.795,21 1.63,22 1,23 1.046,27 3.634,28 47.381,29 -0.557,30 2.562,32 1.514,33 6.4,35 0.73,36 1.536,37 1.345,38 3.58,39 10.12,40 101.826,41 1.701,42 2.073,43 0.722,44 1.603,45 0.075,46 2.864,47 7,48 3.297,49 3.613,50 0.242,51 0.192,52 46.866,53 2.7,54 2.71,55 1,56 58.856,58 1.181,59 0.978,60 1.6,61 2.086,62 0.479,63 0.556,64 0.907,65 2.97,66 2.97,67 1.105,68 3.805,69 2,70 4.97,71 4.8}
{0 CHEMBL2007151,3 7,4 2.646,5 3.521,6 5.521,7 3.521,9 2.302,11 1.151,12 1.151,13 2.473,14 2.73,15 2.225,16 1.172,17 1.991,18 1.778,19 1.603,21 1.517,23 0.975,27 22.229,28 118.183,29 0.144,30 18.376,32 9.377,33 13.444,34 1,35 0.661,36 1.988,37 2.005,38 15.154,39 6.785,40 222.406,41 1.528,42 3.18,43 0.616,44 1.978,45 0.028,46 26.812,47 35,48 17.278,49 24.978,50 0.086,51 0.052,52 421.619,53 11.595,54 3.661,55 1,56 388.446,58 1.86,59 0.944,60 6.653,61 16.757,62 0.481,63 0.585,64 2.241,65 3.332,66 3.332,67 0.99,68 3.975,69 12,70 5.332,71 5.2}
{0 CHEMBL2007296,3 3.9,4 5.581,5 3.586,6 5.586,7 3.586,9 2.162,11 1.081,12 1.081,13 1.859,14 1.973,15 1.758,16 1.123,17 1.674,18 1.614,19 1.594,21 1.496,23 0.947,27 13.539,28 94.762,29 0.186,30 10.432,32 6.409,33 12.889,35 0.672,36 1.858,37 1.896,38 9.996,39 7.068,40 195.121,41 1.661,42 3.134,43 0.633,44 1.858,45 0.037,46 14.231,47 24,48 10.178,49 13.69,50 0.124,51 0.103,52 304.047,53 7.859,54 3.65,56 270.735,58 1.837,59 0.985,60 4.848,61 9.129,62 0.48,63 0.581,64 2.041,65 2.93,66 2.93,67 0.965,68 3.953,69 13,70 4.93,71 5.2}
{0 CHEMBL2007372,3 12.7,4 5.52,5 3.364,6 5.364,7 3.364,9 0.8,11 0.4,12 0.4,16 1.001,17 0.003,18 0.016,19 0.097,21 1.541,22 2,23 1.116,27 13.188,28 99.112,29 -0.036,30 8.76,32 5.916,33 10.806,34 1,35 0.66,36 1.975,37 1.928,38 9.566,39 7.664,40 233.645,41 0.495,42 2.854,43 0.636,44 1.967,45 0.012,46 13.03,47 24,48 9.635,49 14.641,50 0.099,51 0.147,52 257.971,53 7.307,54 3.355,55 1,56 262.153,58 1.798,59 1.192,60 4.402,61 9.686,62 0.465,63 0.568,64 1.567,65 3.182,66 3.182,67 1.201,68 3.902,69 2,70 5.182,71 5.2}
{0 CHEMBL2007592,3 10.8,4 5.362,5 3.74,6 5.74,7 3.74,9 2.86,11 1.629,12 1.629,13 5.892,14 6.852,15 4.946,16 0.911,17 4.023,18 3.143,19 2.344,21 1.594,23 0.922,27 10.323,28 47.381,29 -0.485,30 5.304,32 3.713,33 8.391,34 1,35 0.728,36 1.838,37 1.68,38 8.859,39 8.714,40 131.532,41 1.701,42 2.525,43 0.692,44 1.871,45 0.06,46 5.759,47 14,48 7.883,49 8.767,50 0.139,51 0.03,52 128.377,53 5.988,54 3.057,55 1,56 153.024,57 31.278,58 1.427,59 1.191,60 3.23,61 5.273,62 0.49,63 0.573,64 1.278,65 3.205,66 3.205,67 1.053,68 3.931,69 9,70 5.205,71 5.7}
{0 CHEMBL2048144,3 11.5,4 3.931,5 3.637,6 5.637,7 3.637,9 4.03,11 2.397,12 2.397,13 10.503,14 12.247,15 8.766,16 1.126,17 7.042,18 5.351,19 3.743,21 1.525,22 1,23 1.028,27 13.365,28 56,29 0.045,30 7.889,32 5.622,33 12.233,34 2,35 0.674,36 1.796,37 1.854,38 9.461,39 7.74,40 183.96,41 2.38,42 3.07,43 0.649,44 1.801,45 0.071,46 10.971,47 22,48 9.149,49 13.516,50 0.107,51 0.047,52 169.867,53 7.291,54 3.592,55 2,56 235.422,58 1.807,59 1,60 4.349,61 7.709,62 0.469,63 0.547,64 1.998,65 3.05,66 3.05,67 1.006,68 4.037,69 1,70 5.05,71 6.959}
{0 CHEMBL2062555,1 8.955,3 20.8,4 2.955,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.584,17 6.378,18 4.962,19 3.563,20 2.052,21 1.65,23 0.96,24 1,25 1,26 1,27 2.929,28 68.975,29 -0.374,30 2.949,31 1,32 1.485,33 6.353,34 1,35 0.768,36 1.602,37 1.566,38 3.466,39 10.054,40 171.64,41 2.228,42 2.162,43 0.743,44 1.579,45 0.107,46 2.923,47 7,48 3.282,49 3.1,50 0.214,51 0.096,52 36.855,53 3.053,54 2.724,55 3,56 58.856,57 31.278,58 1.224,59 0.788,60 1.704,61 2.334,62 0.49,63 0.558,64 0.962,65 3.019,66 3.019,67 1.071,68 3.822,69 2,70 4.951,71 7}
{0 CHEMBL2062556,1 8.993,3 18.5,4 2.993,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.54,17 6.378,18 4.962,19 3.563,20 2.054,21 1.648,23 0.934,24 1,25 1,26 1,27 4.412,28 89.755,29 -0.301,30 3.449,31 1,32 2.062,33 7.056,34 1,35 0.724,36 1.628,37 1.567,38 3.651,39 8.714,40 194.247,41 2.228,42 2.213,43 0.71,44 1.651,45 0.102,46 4.336,47 9,48 3.777,49 4.752,50 0.204,51 0.094,52 89.184,53 3.035,54 2.846,55 3,56 82.398,58 1.182,59 1.008,60 1.846,61 2.767,62 0.472,63 0.523,64 0.957,65 3.036,66 3.036,67 0.98,68 3.892,69 5,70 5.036,71 6.745}
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{0 CHEMBL210032,1 9.176,3 12.9,4 4.07,5 4.083,6 6.083,7 4.083,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.429,14 10.824,15 8.039,16 0.71,17 6.657,18 5.291,19 3.961,20 2.043,21 1.633,23 0.931,24 1,25 1,26 1,27 5.455,28 89.755,29 -0.241,30 3.853,31 1,32 2.862,33 7.105,35 0.694,36 1.696,37 1.697,38 4.397,39 8.139,40 199.954,41 2.73,42 2.234,43 0.674,44 1.703,45 0.102,46 4.886,47 12,48 4.819,49 6.582,50 0.204,51 0.183,52 120.936,53 3.974,54 2.845,55 2,56 105.94,58 1.216,59 1.044,60 2.343,61 4.225,62 0.47,63 0.544,64 0.975,65 3.068,66 3.068,67 0.916,68 3.812,69 5,70 5.068,71 5.2}
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{0 CHEMBL210887,3 9.8,4 5.455,5 3.783,6 5.783,7 3.783,9 4.612,11 2.612,12 2.612,13 11.563,14 13.468,15 9.67,16 1.058,17 7.796,18 5.955,19 4.193,21 1.569,23 0.925,27 8.88,28 118.493,29 -0.101,30 6.006,32 3.979,33 9.52,34 1,35 0.669,36 1.862,37 1.87,38 6.631,39 8.302,40 139.65,41 2.67,42 2.661,43 0.661,44 1.868,45 0.097,46 7.694,47 16,48 6.212,49 8.043,50 0.14,51 0.117,52 150.99,53 5.63,54 3.258,55 2,56 164.795,58 1.513,59 1.024,60 3.334,61 6.84,62 0.457,63 0.53,64 1.379,65 3.007,66 3.007,67 1.01,68 4.008,69 3,70 5.007,71 5.2}
{0 CHEMBL210928,3 5.9,4 5.517,5 5.192,6 7.192,7 5.192,9 5.9,11 2.95,12 2.95,13 13.679,14 15.84,15 11.521,16 0.952,17 9.371,18 7.241,19 5.176,21 1.62,23 0.903,27 9.271,28 67.372,29 -0.221,30 10.735,32 5.435,33 11.172,35 0.664,36 1.798,37 1.775,38 8.618,39 8.705,40 174.358,41 3.395,42 2.862,43 0.64,44 1.758,45 0.098,46 12.476,47 22,48 10.259,49 11.66,50 0.173,51 0.299,52 220.842,53 8.317,54 3.435,55 3,56 223.651,58 1.626,59 0.757,60 5.134,61 9.203,62 0.474,63 0.62,64 1.627,65 3.009,66 3.009,67 0.973,68 3.938,69 3,70 5.009,71 5.2}
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{0 CHEMBL213505,3 14,4 5.112,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 0.843,17 10.736,18 8.065,19 5.464,21 1.536,23 1.1,27 6.634,28 108.707,29 0.391,30 6.169,32 2.95,33 12.767,35 0.688,36 1.897,37 1.799,38 6.586,39 9.637,40 242.5,41 3.244,42 3.057,43 0.706,44 1.929,45 0.116,46 5.946,47 13,48 7.475,49 7.703,50 0.135,51 0.118,52 300.249,53 5.737,54 3.614,55 2,56 150.82,58 1.411,59 1.032,60 3.301,61 5.008,62 0.447,63 0.502,64 2.08,65 3.157,66 3.157,67 1.157,68 3.977,69 6,70 5.157,71 5.2}
{0 CHEMBL215152,3 10.4,4 5.319,5 3.63,6 5.63,7 3.63,9 3.497,11 1.987,12 1.987,13 8.273,14 9.631,15 6.928,16 1.063,17 5.604,18 4.326,19 3.17,21 1.475,22 1,23 0.953,27 15.28,28 118.493,29 -0.124,30 12.191,32 7.417,33 17.459,34 2,35 0.649,36 1.959,37 1.961,38 10.775,39 7.577,40 249.231,41 2.373,42 3.517,43 0.627,44 1.951,45 0.05,46 17.545,47 30,48 12.071,49 17.533,50 0.091,51 0.085,52 361.786,53 8.954,54 4.047,55 3,56 321.009,58 1.788,59 1.095,60 5.607,61 9.258,62 0.462,63 0.556,64 3.229,65 2.975,66 2.975,67 0.934,68 3.985,69 2,70 4.975,71 5.1}
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{0 CHEMBL220057,3 10.9,4 5.182,5 3.563,6 5.563,7 3.563,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.989,17 4.156,18 3.244,19 2.415,21 1.53,23 1.081,27 10.372,28 137.136,29 -0.249,30 7.716,32 4.706,33 11.37,34 1,35 0.692,36 1.897,37 1.895,38 7.811,39 7.771,40 241.7,41 1.758,42 2.852,43 0.663,44 1.896,45 0.055,46 10.31,47 19,48 8.628,49 11.943,50 0.119,51 0.096,52 262.472,53 6.385,54 3.444,56 164.795,58 1.56,59 0.981,60 3.665,61 6.11,62 0.475,63 0.548,64 1.959,65 3.18,66 3.18,67 1.089,68 3.973,69 14,70 5.18,71 5.4}
{0 CHEMBL220241,3 11.1,4 5.898,5 3.573,6 5.573,7 3.573,9 2.117,11 1.058,12 1.058,13 1.792,14 1.823,15 1.785,16 1.093,17 1.81,18 1.873,19 1.981,21 1.52,23 0.91,27 15.844,28 118.183,29 -0.121,30 13.166,32 7.437,33 18.643,34 1,35 0.662,36 1.972,37 1.948,38 11.965,39 7.926,40 291.704,41 2.156,42 3.624,43 0.646,44 1.977,45 0.023,46 18.051,47 30,48 13.356,49 18.008,50 0.076,51 0.064,52 605.664,53 9.574,54 4.13,55 6,56 317.82,58 1.932,59 1.106,60 5.917,61 11.194,62 0.461,63 0.548,64 3.184,65 3.091,66 3.091,67 0.901,68 3.991,69 3,70 5.091,71 5.2}
{0 CHEMBL2205766,3 14.3,4 5.453,5 4.691,6 6.691,7 4.691,16 0.94,21 1.577,23 1.213,27 9.497,28 92.586,29 -0.1,30 6.971,32 4.451,33 9.417,34 1,35 0.67,36 1.857,37 1.783,38 7.869,39 8.249,40 194.283,42 2.705,43 0.641,44 1.847,46 8.052,47 18,48 11.063,49 13.55,50 0.18,51 0.225,52 138.836,53 6.268,54 3.22,55 2,56 176.567,58 1.45,59 1.1,60 3.7,61 5.923,62 0.475,63 0.599,64 1.5,65 3.217,66 3.217,67 1.244,68 4.02,69 2,70 5.166,71 5}
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{0 CHEMBL223360,3 10.9,4 5.783,5 3.575,6 5.575,7 3.575,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.989,17 4.156,18 3.244,19 2.415,21 1.551,23 1.075,27 9.722,28 127.66,29 -0.156,30 7.743,32 4.413,33 11.429,34 1,35 0.69,36 1.896,37 1.895,38 7.879,39 8.162,40 241.344,41 1.758,42 2.833,43 0.672,44 1.896,45 0.053,46 10.011,47 18,48 8.716,49 11.124,50 0.115,51 0.116,52 273.275,53 6.439,54 3.45,56 167.984,58 1.534,59 0.985,60 3.697,61 6.136,62 0.469,63 0.539,64 1.939,65 3.18,66 3.18,67 1.089,68 3.979,69 13,70 5.18,71 5.15}
{0 CHEMBL223367,1 9.161,3 9.6,4 5.485,5 4.073,6 6.073,7 4.073,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.26,14 10.666,15 7.863,16 0.986,17 6.481,18 5.131,19 3.864,20 1.925,21 1.565,23 0.843,24 1,25 1,26 1,27 13.092,28 61.636,29 -0.078,30 10.562,31 1,32 5.373,33 11.667,35 0.665,36 1.884,37 1.812,38 10.005,39 8.306,40 195.972,41 2.835,42 3.003,43 0.645,44 1.87,45 0.064,46 13.524,47 22,48 10.482,49 13.657,50 0.127,51 0.127,52 117.125,53 7.647,54 3.468,55 3,56 223.651,58 1.756,59 1.036,60 4.426,61 11.593,62 0.468,63 0.568,64 1.8,65 2.862,66 2.862,67 0.86,68 3.91,69 5,70 4.862,71 5.2}
{0 CHEMBL223460,1 9.149,3 12,4 5.463,5 4.312,6 6.312,7 4.312,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.26,14 10.666,15 7.863,16 0.934,17 6.481,18 5.131,19 3.864,20 1.894,21 1.634,23 0.841,24 1,25 1,26 1,27 10.117,28 24.76,29 -0.059,30 10.517,31 1,32 4.474,33 11.226,35 0.683,36 1.905,37 1.791,38 9.095,39 9.339,40 214.07,41 2.835,42 2.916,43 0.668,44 1.875,45 0.062,46 11.49,47 19,48 10.414,49 11.823,50 0.131,51 0.179,52 122.7,53 7.801,54 3.433,55 3,56 188.338,58 1.617,59 1.057,60 4.418,61 11.603,62 0.471,63 0.581,64 1.811,65 2.958,66 2.958,67 0.731,68 3.924,69 2,70 4.958,71 5.2}
{0 CHEMBL225519,3 11.1,4 4.587,5 3.616,6 5.616,7 3.616,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.591,17 1.422,18 1.338,19 1.255,21 1.565,23 1.002,27 6.42,28 28.429,29 -0.176,30 4.039,32 2.753,33 6.438,34 1,35 0.686,36 1.556,37 1.509,38 4.785,39 7.899,40 119.335,41 1.176,42 2.203,43 0.662,44 1.578,45 0.059,46 5.508,47 11,48 4.579,49 6.053,50 0.201,51 0.044,52 79.605,53 3.706,54 2.755,56 105.94,58 1.299,59 0.739,60 2.173,61 2.504,62 0.471,63 0.541,64 1.063,65 3.08,66 3.08,67 1.026,68 3.829,69 4,70 5.025,71 5.5}
{0 CHEMBL226403,3 9.5,4 4.991,5 3.616,6 5.616,7 3.616,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 1.037,17 1.422,18 1.338,19 1.255,21 1.568,23 0.985,27 9.989,28 75.81,29 -0.109,30 7.489,32 4.112,33 10.231,34 1,35 0.715,36 1.938,37 1.923,38 7.814,39 8.105,40 194.161,41 1.176,42 2.777,43 0.69,44 1.941,45 0.035,46 9.864,47 16,48 7.807,49 9.921,50 0.121,51 0.027,52 261.014,53 5.768,54 3.365,55 1,56 164.795,58 1.604,59 0.929,60 3.375,61 5.935,62 0.478,63 0.538,64 1.633,65 3.091,66 3.091,67 1.014,68 4.057,69 11,70 5.091,71 6.2}
{0 CHEMBL226471,3 8.1,4 5.946,5 3.616,6 5.616,7 3.616,9 2.117,11 1.058,12 1.058,13 1.599,14 1.69,15 1.51,16 0.955,17 1.422,18 1.338,19 1.255,21 1.572,23 0.965,27 8.602,28 66.334,30 6.521,32 3.61,33 8.783,34 1,35 0.702,36 1.871,37 1.874,38 7.101,39 8.307,40 163.256,41 1.176,42 2.541,43 0.684,44 1.867,45 0.041,46 7.964,47 14,48 6.875,49 8.144,50 0.139,51 0.057,52 191.871,53 5.333,54 3.157,56 156.213,58 1.496,59 0.901,60 3.122,61 5.358,62 0.47,63 0.533,64 1.376,65 3.092,66 3.092,67 1.004,68 3.962,69 8,70 5.092,71 5.8}
{0 CHEMBL230011,3 15,4 3.83,5 3.248,6 5.248,7 3.248,16 0.844,21 1.509,23 0.948,27 6.727,28 141.604,29 -0.078,30 5.438,32 3.025,33 7.885,35 0.7,36 1.923,37 1.845,38 5.901,39 8.659,40 228.718,42 2.411,43 0.692,44 1.937,46 6.345,47 14,48 6.158,49 7.601,50 0.112,51 0.122,52 260.282,53 4.932,54 2.983,55 1,56 94.169,58 1.397,59 1.301,60 2.923,61 6.594,62 0.464,63 0.518,64 1.142,65 3.116,66 3.116,67 0.99,68 3.882,69 5,70 5.116,71 5.553}
{0 CHEMBL230135,1 9.223,2 1,3 24.2,4 3.223,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.622,17 6.378,18 4.962,19 3.565,20 2.087,21 1.591,22 1,23 1.026,24 1,25 1,26 1,27 4.691,28 56.429,29 -0.27,30 3.175,31 1,32 2.136,33 8,34 3,35 0.721,36 1.619,37 1.569,38 4.026,39 9.162,40 230.352,41 2.262,42 2.442,43 0.718,44 1.651,45 0.078,46 3.409,47 10,48 3.762,49 4.528,50 0.157,51 0.037,52 119.633,53 3.277,54 3.016,55 6,56 105.94,58 1.515,59 1.23,60 2.075,61 4.086,62 0.465,63 0.514,64 1.13,65 3.001,66 3.001,67 1.13,68 3.923,69 2,70 5.001,71 6.9}
{0 CHEMBL230136,1 9.439,2 1,3 15.6,4 3.439,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.885,17 6.379,18 4.967,19 3.591,20 2.167,21 1.592,22 1,23 1.043,24 1,25 1,26 1,27 10.296,28 85.286,29 -0.351,30 6.948,31 1,32 4.263,33 10,34 2,35 0.708,36 1.904,37 1.788,38 7.665,39 8.166,40 239.101,41 2.407,42 2.71,43 0.684,44 1.921,45 0.064,46 9.557,47 17,48 7.746,49 10.6,50 0.127,51 0.03,52 272.451,53 5.848,54 3.302,55 4,56 188.338,58 1.663,59 1.073,60 3.415,61 6.61,62 0.475,63 0.539,64 1.357,65 3.008,66 3.008,67 1.121,68 4.002,69 7,70 5.008,71 7.959}
{0 CHEMBL230137,1 9.369,2 1,3 17.4,4 3.369,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.942,17 6.378,18 4.966,19 3.59,20 2.159,21 1.578,22 1,23 0.922,24 1,25 1,26 1,27 10.927,28 47.381,29 -0.304,30 6.93,31 1,32 4.909,33 9.885,34 2,35 0.666,36 1.885,37 1.788,38 6.965,39 7.575,40 210.557,41 2.444,42 2.705,43 0.638,44 1.904,45 0.07,46 11.303,47 20,48 7.644,49 11.941,50 0.14,51 0.074,52 215.167,53 5.58,54 3.26,55 4,56 223.651,58 1.702,59 1.149,60 3.383,61 6.174,62 0.469,63 0.563,64 1.364,65 3.001,66 3.001,67 0.959,68 3.908,69 2,70 5.001,71 7.62}
{0 CHEMBL230246,1 9.456,2 1,3 18.4,4 3.456,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.919,17 6.378,18 4.966,19 3.59,20 2.163,21 1.575,22 1,23 0.948,24 1,25 1,26 1,27 10.63,28 75.81,29 -0.094,30 7.47,31 1,32 4.616,33 11.567,34 2,35 0.691,36 1.922,37 1.875,38 7.49,39 8.112,40 256.215,41 2.444,42 2.933,43 0.67,44 1.931,45 0.06,46 10.653,47 19,48 7.575,49 10.834,50 0.12,51 0.028,52 352.736,53 5.832,54 3.479,55 4,56 211.88,58 1.734,59 1.081,60 3.55,61 7.963,62 0.47,63 0.539,64 1.729,65 3.001,66 3.001,67 0.992,68 3.968,69 2,70 5.001,71 8.155}
{0 CHEMBL230248,1 9.347,2 1,3 14.9,4 3.347,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.915,17 6.378,18 4.962,19 3.566,20 2.129,21 1.561,22 2,23 1.044,24 1,25 1,26 1,27 10.436,28 85.286,29 -0.216,30 6.39,31 1,32 4.742,33 11.321,34 2,35 0.694,36 1.943,37 1.818,38 7.424,39 7.861,40 260.707,41 2.295,42 2.914,43 0.666,44 1.959,45 0.066,46 9.342,47 19,48 7.763,49 11.191,50 0.131,51 0.068,52 253.571,53 6.21,54 3.455,55 3,56 200.109,58 1.676,59 0.903,60 3.618,61 6.057,62 0.475,63 0.551,64 1.773,65 2.988,66 2.988,67 1.102,68 3.95,69 9,70 4.988,71 6.863}
{0 CHEMBL230347,1 9.313,2 1,3 17.1,4 3.313,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.835,17 6.378,18 4.963,19 3.575,20 2.104,21 1.582,22 2,23 1.056,24 1,25 1,26 1,27 7.809,28 85.286,29 -0.319,30 5.166,31 1,32 3.233,33 10.778,34 2,35 0.73,36 1.907,37 1.78,38 6.436,39 9.167,40 249.662,41 2.348,42 2.852,43 0.709,44 1.92,45 0.068,46 6.296,47 14,48 6.21,49 7.7,50 0.136,51 0.086,52 236.768,53 4.826,54 3.389,55 3,56 141.253,58 1.545,59 1.035,60 2.858,61 5.313,62 0.482,63 0.55,64 1.523,65 2.991,66 2.991,67 1.117,68 3.938,69 6,70 4.991,71 8.301}
{0 CHEMBL230352,1 9.306,2 1,3 18.6,4 3.306,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.907,17 6.378,18 4.962,19 3.566,20 2.109,21 1.551,22 2,23 0.993,24 1,25 1,26 1,27 8.72,28 66.334,29 -0.191,30 5.257,31 1,32 3.807,33 10.741,34 2,35 0.7,36 1.91,37 1.808,38 6.349,39 8.289,40 264.624,41 2.295,42 2.876,43 0.681,44 1.928,45 0.068,46 7.261,47 16,48 6.232,49 8.742,50 0.136,51 0.031,52 241.752,53 5.111,54 3.392,55 3,56 164.795,58 1.671,59 1.035,60 3.061,61 5.208,62 0.47,63 0.532,64 1.676,65 2.988,66 2.988,67 1.046,68 3.947,69 5,70 4.988,71 5.469}
{0 CHEMBL230353,1 9.396,2 1,3 15.7,4 4.313,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.429,14 10.824,15 8.039,16 0.914,17 6.657,18 5.291,19 3.963,20 2.104,21 1.569,22 2,23 0.982,24 1,25 1,26 1,27 10.186,28 85.286,29 -0.299,30 6.884,31 1,32 4.827,33 12.129,34 2,35 0.688,36 1.939,37 1.815,38 7.506,39 8.088,40 282.993,41 2.771,42 3.076,43 0.668,44 1.963,45 0.06,46 9.57,47 20,48 8.056,49 11.449,50 0.12,51 0.085,52 286.7,53 6.5,54 3.559,55 3,56 200.109,58 1.706,59 0.96,60 3.795,61 6.509,62 0.469,63 0.543,64 1.956,65 2.988,66 2.988,67 0.988,68 3.953,69 6,70 4.988,71 8.097}
{0 CHEMBL230354,1 9.361,2 1,3 17.8,4 4.284,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.429,14 10.824,15 8.039,16 0.825,17 6.657,18 5.291,19 3.963,20 2.086,21 1.587,22 2,23 0.976,24 1,25 1,26 1,27 7.185,28 85.286,29 -0.362,30 5.242,31 1,32 3.674,33 10.862,34 3,35 0.701,36 1.899,37 1.77,38 5.902,39 8.543,40 277.924,41 2.771,42 2.867,43 0.689,44 1.918,45 0.064,46 6.409,47 16,48 6.527,49 8.831,50 0.127,51 0.091,52 252.539,53 5.342,54 3.415,55 3,56 153.024,58 1.702,59 1.027,60 3.146,61 5.715,62 0.467,63 0.532,64 1.541,65 2.992,66 2.992,67 0.976,68 3.949,69 3,70 4.992,71 9.456}
{0 CHEMBL230455,1 9.372,2 1,3 15.9,4 3.372,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 0.873,17 6.379,18 4.967,19 3.591,20 2.137,21 1.571,22 1,23 1.101,24 1,25 1,26 1,27 9.068,28 94.762,29 -0.241,30 5.941,31 1,32 4.189,33 10,34 2,35 0.701,36 1.914,37 1.808,38 6.654,39 8.078,40 249.148,41 2.407,42 2.724,43 0.677,44 1.925,45 0.068,46 8.128,47 17,48 6.785,49 9.592,50 0.136,51 0.07,52 235.585,53 5.364,54 3.302,55 4,56 188.338,58 1.641,59 1.014,60 3.288,61 7.329,62 0.474,63 0.546,64 1.407,65 3,66 3,67 1.208,68 3.943,69 5,70 5,71 7.26}
{0 CHEMBL230456,1 9.394,2 1,3 15.6,4 3.394,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.217,14 10.638,15 7.797,16 1.067,17 6.378,18 4.962,19 3.566,20 2.147,21 1.59,22 2,23 1.046,24 1,25 1,26 1,27 10.318,28 85.286,29 -0.442,30 5.914,31 1,32 4.238,33 10.143,34 2,35 0.708,36 1.932,37 1.853,38 7.651,39 8.166,40 252.31,41 2.295,42 2.74,43 0.684,44 1.939,45 0.064,46 8.015,47 17,48 7.909,49 11.023,50 0.127,51 0.03,52 220.827,53 6.043,54 3.336,55 3,56 176.567,58 1.722,59 1.056,60 3.408,61 5.634,62 0.475,63 0.536,64 1.449,65 3,66 3,67 1.086,68 4.033,69 9,70 5,71 7.921}
{0 CHEMBL230462,1 9.311,2 1,3 17.8,4 4.247,5 4.072,6 6.072,7 4.072,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.429,14 10.824,15 8.039,16 0.831,17 6.657,18 5.291,19 3.963,20 2.104,21 1.594,22 2,23 0.875,24 1,25 1,26 1,27 8.783,28 37.905,29 -0.337,30 4.857,31 1,32 4.325,33 10.259,34 2,35 0.673,36 1.905,37 1.768,38 5.972,39 8.054,40 235.39,41 2.771,42 2.732,43 0.656,44 1.931,45 0.068,46 6.967,47 18,48 6.153,49 9.186,50 0.136,51 0.098,52 155.93,53 5.734,54 3.336,55 3,56 176.567,58 1.702,59 1.064,60 3.265,61 5.943,62 0.464,63 0.546,64 1.454,65 2.993,66 2.993,67 0.879,68 3.949,69 1,70 4.993,71 8.721}
{0 CHEMBL230463,2 1,3 15.9,4 4.216,5 3.533,6 5.533,7 3.533,9 3.306,11 1.907,12 1.907,13 7.771,14 9.051,15 6.501,16 0.829,17 5.25,18 4.038,19 2.909,21 1.53,22 2,23 0.895,27 8.25,28 37.905,29 -0.247,30 4.921,32 4.633,33 9.64,34 2,35 0.661,36 1.717,37 1.708,38 5.332,39 7.669,40 194.019,41 2.04,42 2.675,43 0.637,44 1.708,45 0.068,46 7.523,47 19,48 5.608,49 8.881,50 0.126,51 0.115,52 142.908,53 5.563,54 3.257,56 188.338,58 1.676,59 1.174,60 3.276,61 6.203,62 0.465,63 0.563,64 1.443,65 2.978,66 2.978,67 0.888,68 3.95,69 1,70 4.978,71 7.456}
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{0 CHEMBL260092,3 14,4 5.186,5 4.46,6 6.46,7 4.46,9 5.335,11 3.825,12 3.825,13 16.1,14 18.783,15 13.417,16 1.012,17 10.736,18 8.066,19 5.473,21 1.508,22 1,23 1.011,27 10.11,28 108.707,29 0.339,30 8.089,31 1,32 4.221,33 13.531,35 0.673,36 1.924,37 1.825,38 8.286,39 8.829,40 260.444,41 3.329,42 3.118,43 0.674,44 1.955,45 0.109,46 9.939,47 18,48 9.1,49 10.78,50 0.127,51 0.11,52 318.164,53 6.815,54 3.694,56 197.905,58 1.759,59 1.015,60 3.863,61 6.767,62 0.453,63 0.518,64 2.215,65 2.923,66 2.923,67 1.036,68 3.966,69 6,70 4.923,71 5.2}
{0 CHEMBL260135,3 14.3,4 2.076,5 3.339,6 5.339,7 3.339,16 0.836,21 1.508,23 0.934,27 7.577,28 127.66,29 -0.282,30 5.124,32 3.225,33 7.136,34 1,35 0.716,36 1.78,37 1.734,38 5.739,39 8.21,40 213.241,42 2.127,43 0.692,44 1.791,46 6.483,47 13,48 5.649,49 7.472,50 0.134,51 0.038,52 158.933,53 4.459,54 2.805,56 117.711,58 1.472,59 1.051,60 2.638,61 6.204,62 0.477,63 0.531,64 0.888,65 3.273,66 3.273,67 0.983,68 3.89,69 14,70 5.273,71 5.2}
{0 CHEMBL261849,3 8.2,4 2.401,5 3.258,6 5.258,7 3.258,9 2.302,11 1.151,12 1.151,13 2.523,14 2.759,15 2.31,16 0.866,17 2.133,18 2.01,19 1.963,21 1.488,23 1.158,27 10.287,28 132.128,29 0.162,30 9.309,32 5.389,33 12.778,35 0.658,36 1.883,37 1.81,38 7.862,39 7.479,40 233.154,41 2.019,42 3.115,43 0.632,44 1.906,45 0.04,46 12.999,47 22,48 9.14,49 12.349,50 0.112,51 0.143,52 299.479,53 7.05,54 3.607,56 211.88,58 1.586,59 1.047,60 4.218,61 8.165,62 0.467,63 0.567,64 2.173,65 2.848,66 2.848,67 1.233,68 3.929,69 6,70 4.848,71 5}
{0 CHEMBL262433,3 14,4 5.77,5 3.575,6 5.575,7 3.575,9 2.912,11 1.656,12 1.656,13 6.091,14 7.083,15 5.111,16 0.871,17 4.156,18 3.244,19 2.415,21 1.549,23 1.031,27 7.481,28 99.231,29 -0.214,30 7.731,32 3.463,33 11.929,35 0.718,36 1.886,37 1.786,38 7.053,39 9.174,40 234.499,41 1.758,42 2.918,43 0.699,44 1.903,45 0.053,46 7.929,47 15,48 8.321,49 9.274,50 0.115,51 0.114,52 273.214,53 5.786,54 3.518,55 1,56 144.442,57 31.052,58 1.534,59 0.979,60 3.321,61 5.178,62 0.477,63 0.555,64 1.944,65 3.107,66 3.107,67 0.964,68 3.972,69 6,70 5.107,71 5.2}
{0 CHEMBL270512,3 3.7,4 5.302,5 3.86,6 5.86,7 3.86,9 4.612,11 2.612,12 2.612,13 11.563,14 13.468,15 9.67,16 0.327,17 7.795,18 5.95,19 4.172,21 1.647,23 0.901,27 3.688,28 47.381,29 -0.352,30 4.175,32 1.65,33 6.4,35 0.704,36 1.553,37 1.298,38 4.791,39 10.119,40 77.8,41 2.616,42 2.166,43 0.737,44 1.66,45 0.119,46 2.842,47 7,48 4.851,49 3.546,50 0.175,51 0.187,52 105.146,53 3.718,54 2.706,55 3,56 58.856,58 1.206,59 0.763,60 2.296,61 2.763,62 0.445,63 0.493,64 1,65 3.292,66 3.292,67 1.117,68 3.851,69 2,70 5.292,71 6.097}
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{0 CHEMBL274064,3 13.6,4 5.305,5 3.33,6 5.33,7 3.33,9 0.8,11 0.4,12 0.4,16 0.871,17 0.001,18 0.008,19 0.05,21 1.518,23 0.905,27 11.384,28 98.289,29 0.023,30 7.964,32 4.743,33 8.48,34 1,35 0.666,36 1.903,37 1.838,38 8.028,39 7.692,40 199.967,41 0.278,42 2.504,43 0.641,44 1.922,45 0.014,46 11.683,47 19,48 8.162,49 11.718,50 0.119,51 0.059,52 225.9,53 6.108,54 3.049,55 1,56 203.298,58 1.513,59 1.182,60 3.514,61 8.858,62 0.467,63 0.548,64 1.261,65 3.139,66 3.139,67 0.906,68 3.89,69 2,70 5.139,71 6.1}
{0 CHEMBL278041,3 7.7,4 5.274,5 3.208,6 5.208,7 3.208,16 0.97,21 1.515,23 1.029,27 7.893,28 94.762,29 0.071,30 6.323,32 3.519,33 9.16,34 1,35 0.717,36 1.925,37 1.921,38 6.858,39 8.497,40 189.733,42 2.623,43 0.701,44 1.923,46 8.008,47 14,48 6.485,49 7.622,50 0.115,51 0.052,52 238.298,53 5.109,54 3.168,56 156.213,58 1.423,59 1.214,60 3.203,61 7.218,62 0.473,63 0.526,64 1.299,65 3.103,66 3.103,67 1.048,68 3.895,69 5,70 5.103,71 5}
{0 CHEMBL28,4 5.021,5 3.642,6 5.642,7 3.642,9 1.72,11 0.86,12 0.86,13 0.283,14 0.217,15 0.366,16 0.559,17 0.469,18 0.593,19 0.739,21 1.574,23 1.013,27 4.862,28 66.334,29 -0.236,30 4.948,32 2.308,33 7.9,35 0.703,36 1.543,37 1.514,38 5.651,39 9.008,40 88.325,41 0.908,42 2.466,43 0.707,44 1.565,45 0.039,46 4.567,47 10,48 5.73,49 5.933,50 0.166,51 0.145,52 147.779,53 4.281,54 2.965,55 1,56 82.398,58 1.181,59 1.207,60 2.767,61 3.346,62 0.458,63 0.51,64 1.22,65 3.128,66 3.128,67 1.081,68 3.873,69 4,70 5.128,71 6.114}
{0 CHEMBL288441,1 9.745,3 7.7,4 3.745,5 4.073,6 6.073,7 4.073,8 1,9 4.069,10 1,11 2.035,12 2.035,13 9.218,14 10.638,15 7.798,16 1.12,17 6.381,18 4.983,19 3.677,20 2.19,21 1.577,22 1,23 0.976,24 1,25 1,26 1,27 16.176,28 37.905,29 -0.039,30 15.1,31 1,32 7.328,33 14.556,34 1,35 0.677,36 1.936,37 1.889,38 12.412,39 8.162,40 219.624,41 2.77,42 3.288,43 0.642,44 1.939,45 0.052,46 20.601,47 29,48 15.391,49 20.506,50 0.104,51 0.191,52 447.348,53 9.309,54 3.765,55 3,56 329.591,58 1.818,59 1.053,60 5.76,61 12.79,62 0.484,63 0.614,64 2.469,65 3.122,66 3.122,67 0.996,68 3.936,69 5,70 5.122,71 5}
{0 CHEMBL289277,4 5.377,5 3.823,6 5.823,7 3.823,16 0.607,21 1.673,23 1.006,27 5.146,28 37.905,29 -0.406,30 5.359,32 2.392,33 6.5,35 0.703,36 1.494,37 1.522,38 5.831,39 9.008,40 72.925,42 2.166,43 0.707,44 1.486,46 4.091,47 10,48 6.703,49 6.905,50 0.174,51 0.236,52 105.488,53 4.511,54 2.694,56 82.398,58 1.218,59 1.029,60 2.782,61 3.347,62 0.458,63 0.523,64 1.1,65 3.429,66 3.429,67 1.133,68 3.813,69 8,70 5.429,71 5.716}
{0 CHEMBL296468,3 8.2,4 5.249,5 4.438,6 6.331,7 4.438,9 6.545,11 3.272,12 3.272,13 14.92,14 17.291,15 12.551,16 0.892,17 10.185,18 7.829,19 5.512,21 1.63,23 1.179,27 13.753,28 18.011,29 0.13,30 8.604,32 6.286,33 11.8,35 0.67,36 1.66,37 1.565,38 10.879,39 7.767,40 140.017,41 3.36,42 2.953,43 0.615,44 1.655,45 0.121,46 10.791,47 24,48 11.762,49 14.875,50 0.164,51 0.147,52 94.674,53 9.346,54 3.515,55 1,56 258.964,57 63.497,58 1.513,59 1.428,60 5.054,61 10.196,62 0.497,63 0.657,64 2,65 3.319,66 3.319,67 1.159,68 3.93,70 5.255,71 5}
{0 CHEMBL296586,3 6.5,4 5.098,5 3.676,6 5.676,7 3.676,9 3.497,11 1.987,12 1.987,13 8.273,14 9.631,15 6.927,16 0.91,17 5.601,18 4.312,19 3.1,21 1.588,23 0.965,27 7.122,28 66.334,29 0.232,30 6.6,32 2.678,33 6.8,34 1,35 0.762,36 1.77,37 1.733,38 6.594,39 10.555,40 128.026,41 2.076,42 2.246,43 0.723,44 1.787,45 0.086,46 7.775,47 11,48 6.759,49 7.84,50 0.16,51 0.159,52 60.039,53 4.249,54 2.781,56 105.94,57 45.954,58 1.384,59 1.511,60 2.318,61 4.623,62 0.523,63 0.606,64 1.04,65 3.246,66 3.246,67 0.936,68 3.887,69 11,70 5.246,71 4.699}
{0 CHEMBL300138,3 7.4,4 6.339,5 3.839,6 5.839,7 3.839,9 2.4,11 1.2,12 1.2,13 2.962,14 3.298,15 2.642,16 1.146,17 2.35,18 2.104,19 1.935,21 1.585,23 0.965,27 19.155,28 122.334,29 -0.106,30 16.985,32 7.762,33 13.769,34 2,35 0.692,36 1.999,37 2.005,38 14.257,39 7.583,40 227.225,41 1.897,42 3.214,43 0.66,44 1.995,45 0.027,46 23.08,47 29,48 16.439,49 22.531,50 0.085,51 0.063,52 429.132,53 10.038,54 3.685,55 2,56 329.591,58 1.938,59 0.973,60 5.962,61 17.217,62 0.479,63 0.559,64 2.146,65 3.407,66 3.407,67 0.976,68 4.137,69 13,70 5.407,71 5}
{0 CHEMBL302449,1 9.258,3 8.5,4 5.921,5 4.038,6 6.038,7 4.038,9 4.616,10 1,11 2.308,12 2.308,13 10.731,14 12.404,15 9.059,16 1.158,17 7.388,18 5.726,19 4.104,20 2.29,21 1.694,23 0.823,24 1,25 1,26 1,27 11.771,28 75.81,29 -0.142,30 11.308,31 1,32 4.755,33 8,34 2,35 0.719,36 2.024,37 1.998,38 9.206,39 8.052,40 190.367,41 2.67,42 2.378,43 0.691,44 2.019,45 0.068,46 14.458,47 18,48 9.894,49 12.344,50 0.119,51 0.089,52 109.019,53 6.794,54 2.948,55 1,56 200.109,58 1.766,59 0.96,60 3.851,61 13.638,62 0.48,63 0.551,64 1.034,65 3.539,66 3.539,67 0.855,68 4.058,69 13,70 5.539,71 5.2}
{0 CHEMBL306380,3 12.5,4 2.076,5 3.574,6 5.574,7 3.574,16 0.884,21 1.547,23 1.167,27 9.584,28 70.802,29 -0.443,30 6.126,32 4.864,33 7.333,34 1,35 0.659,36 1.847,37 1.801,38 6.23,39 7.035,40 182.476,42 2.258,43 0.62,44 1.847,46 9.635,47 19,48 8.096,49 12.698,50 0.155,51 0.24,52 106.298,53 5.582,54 2.839,55 2,56 200.109,58 1.538,59 0.946,60 3.354,61 6.668,62 0.476,63 0.607,64 1.111,65 3.341,66 3.341,67 1.221,68 3.896,69 7,70 5.341,71 5.2}
{0 CHEMBL316264,3 7.9,4 5.262,5 3.209,6 5.209,7 3.209,16 0.97,21 1.531,23 1.014,27 7.545,28 94.762,29 0.076,30 6.03,32 3.373,33 9.16,34 1,35 0.723,36 1.925,37 1.921,38 6.811,39 8.773,40 198.854,42 2.623,43 0.71,44 1.923,46 7.349,47 13,48 6.197,49 6.873,50 0.115,51 0.049,52 238.298,53 5.018,54 3.168,56 171.173,58 1.419,59 1.205,60 3.097,61 7.221,62 0.471,63 0.523,64 1.299,65 3.102,66 3.102,67 1.024,68 3.901,69 5,70 5.102,71 5.2}
{0 CHEMBL31965,3 8.5,4 5.52,5 3.49,6 5.49,7 3.49,9 2.117,11 1.058,12 1.058,13 1.735,14 1.783,15 1.708,16 1.069,17 1.707,18 1.742,19 1.826,21 1.524,22 1,23 0.936,27 13.657,28 56.857,29 0.054,30 11.901,32 6.243,33 13.382,34 1,35 0.671,36 1.948,37 1.925,38 10.812,39 8.237,40 211.717,41 2.012,42 3.253,43 0.648,44 1.949,45 0.029,46 16.304,47 25,48 11.419,49 15.23,50 0.094,51 0.115,52 419.253,53 8.341,54 3.68,55 2,56 285.695,58 1.776,59 1.107,60 5.109,61 10.748,62 0.471,63 0.567,64 2.369,65 3.039,66 3.039,67 0.94,68 3.912,69 3,70 5.039,71 5}
{0 CHEMBL326282,3 2.7,4 5.684,5 3.729,6 5.729,7 3.729,9 2.555,11 1.277,12 1.277,13 3.658,14 4.138,15 3.184,16 0.953,17 2.72,18 2.271,19 1.845,21 1.604,23 0.999,27 8.615,28 56.857,29 -0.317,30 8.552,32 2.996,33 9.28,35 0.779,36 1.778,37 1.778,38 7.83,39 10.613,40 108.192,41 1.45,42 2.668,43 0.747,44 1.764,45 0.046,46 8.787,47 12,48 8.332,49 9.156,50 0.133,51 0.221,52 214.384,53 4.832,54 3.179,55 1,56 129.482,58 1.368,59 1.015,60 2.641,61 6.023,62 0.508,63 0.606,64 1.411,65 3.247,66 3.247,67 1,68 3.942,69 12,70 5.247,71 5.2}
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{0 CHEMBL377383,3 7,4 5.241,5 5.18,6 7.18,7 5.18,9 5.9,11 2.95,12 2.95,13 13.675,14 15.838,15 11.511,16 0.944,17 9.348,18 7.188,19 5.052,21 1.646,23 0.956,27 9.038,28 86.324,29 -0.214,30 7.426,32 4.521,33 11.08,35 0.684,36 1.793,37 1.778,38 8.221,39 8.928,40 161.058,41 3.121,42 2.903,43 0.655,44 1.75,45 0.113,46 9.139,47 18,48 8.139,49 9.269,50 0.199,51 0.258,52 189.34,53 7.167,54 3.419,56 176.567,58 1.616,59 0.7,60 4.323,61 6.17,62 0.483,63 0.613,64 1.69,65 2.865,66 2.865,67 0.988,68 3.942,69 3,70 4.865,71 5.2}
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{0 CHEMBL392642,3 10.5,4 4.377,5 4.36,6 6.36,7 4.36,9 5.9,11 2.95,12 2.95,13 13.789,14 15.928,15 11.658,16 1.062,17 9.539,18 7.439,19 5.373,21 1.588,22 2,23 1.067,27 17.275,28 37.905,29 -0.192,30 10.954,32 7.178,33 12.241,35 0.649,36 1.965,37 1.851,38 12.135,39 7.309,40 190.478,41 3.427,42 3.086,43 0.606,44 1.968,45 0.095,46 16.564,47 28,48 11.907,49 17.777,50 0.141,51 0.113,52 316.209,53 9.593,54 3.563,55 4,56 282.506,57 32.22,58 1.707,59 0.829,60 5.179,61 7.666,62 0.479,63 0.602,64 2.059,65 2.843,66 2.843,67 1.074,68 3.944,69 7,70 4.843,71 5.3}
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