@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2939

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1082440,CHEMBL1084546,CHEMBL1089865,CHEMBL1090356,CHEMBL1090360,CHEMBL116070,CHEMBL1173055,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1198626,CHEMBL1209288,CHEMBL1230020,CHEMBL1230122,CHEMBL1236107,CHEMBL1236126,CHEMBL1240703,CHEMBL1241473,CHEMBL1241674,CHEMBL1242373,CHEMBL124660,CHEMBL127898,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1375418,CHEMBL1375640,CHEMBL1381197,CHEMBL1419458,CHEMBL1421,CHEMBL1461728,CHEMBL1516890,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1624529,CHEMBL1682341,CHEMBL1682345,CHEMBL1682346,CHEMBL1682357,CHEMBL1682359,CHEMBL1682360,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682558,CHEMBL1721885,CHEMBL1727312,CHEMBL17370,CHEMBL178737,CHEMBL1789941,CHEMBL180022,CHEMBL1807446,CHEMBL1825138,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL1916359,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,CHEMBL1966069,CHEMBL1966087,CHEMBL1966279,CHEMBL1966343,CHEMBL1966425,CHEMBL1966514,CHEMBL1966524,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1967094,CHEMBL1967116,CHEMBL1967302,CHEMBL1967531,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1968070,CHEMBL1968127,CHEMBL1968151,CHEMBL1968245,CHEMBL1968380,CHEMBL1968406,CHEMBL1968590,CHEMBL1968705,CHEMBL1968791,CHEMBL1968850,CHEMBL1968926,CHEMBL1969042,CHEMBL1969049,CHEMBL1969102,CHEMBL1969126,CHEMBL1969190,CHEMBL1969264,CHEMBL1969301,CHEMBL1969372,CHEMBL1969502,CHEMBL1969506,CHEMBL1969523,CHEMBL1969537,CHEMBL1969561,CHEMBL1969588,CHEMBL1969664,CHEMBL1969735,CHEMBL1969755,CHEMBL1969843,CHEMBL1969879,CHEMBL1970074,CHEMBL1970083,CHEMBL1970104,CHEMBL1970142,CHEMBL1970189,CHEMBL1970203,CHEMBL1970217,CHEMBL1970314,CHEMBL1970317,CHEMBL1970340,CHEMBL1970369,CHEMBL1970522,CHEMBL1970709,CHEMBL1970735,CHEMBL1970806,CHEMBL1970879,CHEMBL1970903,CHEMBL1970913,CHEMBL1971017,CHEMBL1971021,CHEMBL1971029,CHEMBL1971141,CHEMBL1971149,CHEMBL1971186,CHEMBL1971245,CHEMBL1971430,CHEMBL1971649,CHEMBL1971694,CHEMBL1971801,CHEMBL1971943,CHEMBL1971947,CHEMBL1972119,CHEMBL1972125,CHEMBL1972142,CHEMBL1972158,CHEMBL1972183,CHEMBL1972221,CHEMBL1972250,CHEMBL1972258,CHEMBL1972276,CHEMBL1972362,CHEMBL1972489,CHEMBL1972568,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972820,CHEMBL1972840,CHEMBL1972849,CHEMBL1972937,CHEMBL1973098,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973395,CHEMBL1973483,CHEMBL1973540,CHEMBL1973711,CHEMBL1973808,CHEMBL1973860,CHEMBL1973893,CHEMBL1973937,CHEMBL1974157,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974457,CHEMBL1974664,CHEMBL1974702,CHEMBL1974803,CHEMBL1974870,CHEMBL1974935,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975208,CHEMBL1975233,CHEMBL1975256,CHEMBL1975357,CHEMBL1975418,CHEMBL1975490,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1975787,CHEMBL1975900,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976220,CHEMBL1976240,CHEMBL1976328,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1977041,CHEMBL1977135,CHEMBL1977148,CHEMBL1977223,CHEMBL1977346,CHEMBL1977374,CHEMBL1977604,CHEMBL1977681,CHEMBL1977713,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,CHEMBL1981410,CHEMBL1981720,CHEMBL1981725,CHEMBL1981782,CHEMBL1982122,CHEMBL1982135,CHEMBL1982167,CHEMBL1982361,CHEMBL1982383,CHEMBL1982465,CHEMBL1982466,CHEMBL1982476,CHEMBL1982506,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982711,CHEMBL1982866,CHEMBL1982874,CHEMBL1982880,CHEMBL1982924,CHEMBL1982957,CHEMBL1982980,CHEMBL1982992,CHEMBL1983006,CHEMBL1983025,CHEMBL1983111,CHEMBL1983195,CHEMBL1983309,CHEMBL1983449,CHEMBL1983534,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1984038,CHEMBL1984039,CHEMBL1984044,CHEMBL1984162,CHEMBL1984191,CHEMBL1984206,CHEMBL1984274,CHEMBL1984363,CHEMBL1984367,CHEMBL1984432,CHEMBL1984541,CHEMBL1984586,CHEMBL1984633,CHEMBL1984700,CHEMBL1984711,CHEMBL1984788,CHEMBL1984842,CHEMBL1984869,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,CHEMBL1987982,CHEMBL1988075,CHEMBL1988153,CHEMBL1988163,CHEMBL1988173,CHEMBL1988300,CHEMBL1988370,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988594,CHEMBL1988608,CHEMBL1988717,CHEMBL1988838,CHEMBL1988995,CHEMBL1989029,CHEMBL1989265,CHEMBL1989474,CHEMBL1989518,CHEMBL1989646,CHEMBL1989708,CHEMBL1989805,CHEMBL1989856,CHEMBL1989957,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,CHEMBL1992645,CHEMBL1992732,CHEMBL1992740,CHEMBL1992796,CHEMBL1992922,CHEMBL1992937,CHEMBL1993166,CHEMBL1993243,CHEMBL1993424,CHEMBL1993548,CHEMBL1993584,CHEMBL1993661,CHEMBL1993722,CHEMBL1993781,CHEMBL1993941,CHEMBL1994040,CHEMBL1994074,CHEMBL1994241,CHEMBL1994321,CHEMBL1994361,CHEMBL1994526,CHEMBL1994538,CHEMBL1994693,CHEMBL1994830,CHEMBL1994864,CHEMBL1994938,CHEMBL1995172,CHEMBL1995448,CHEMBL1995592,CHEMBL1995736,CHEMBL1995740,CHEMBL1995813,CHEMBL1995832,CHEMBL1995927,CHEMBL1996066,CHEMBL1996111,CHEMBL1996155,CHEMBL1996208,CHEMBL1996234,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,CHEMBL1999112,CHEMBL1999126,CHEMBL1999321,CHEMBL1999428,CHEMBL1999496,CHEMBL1999556,CHEMBL1999590,CHEMBL1999714,CHEMBL1999718,CHEMBL1999749,CHEMBL1999774,CHEMBL1999811,CHEMBL1999918,CHEMBL1999931,CHEMBL2000071,CHEMBL2000104,CHEMBL2000114,CHEMBL2000271,CHEMBL2000335,CHEMBL2000345,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,CHEMBL2002649,CHEMBL2002682,CHEMBL2002702,CHEMBL2002726,CHEMBL2002992,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003524,CHEMBL2003638,CHEMBL2003657,CHEMBL2003768,CHEMBL2003817,CHEMBL2004072,CHEMBL2004290,CHEMBL2004311,CHEMBL2004355,CHEMBL2004365,CHEMBL2004419,CHEMBL2004438,CHEMBL2004447,CHEMBL2004513,CHEMBL2004544,CHEMBL2004615,CHEMBL2004647,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,CHEMBL2007151,CHEMBL2007296,CHEMBL2007372,CHEMBL2007592,CHEMBL2017214,CHEMBL2063926,CHEMBL207253,CHEMBL207400,CHEMBL207995,CHEMBL208637,CHEMBL2087499,CHEMBL2087500,CHEMBL2087501,CHEMBL2087502,CHEMBL2087503,CHEMBL2087504,CHEMBL2087505,CHEMBL2087506,CHEMBL2087507,CHEMBL2087508,CHEMBL2087509,CHEMBL2087510,CHEMBL2087511,CHEMBL2087512,CHEMBL2087513,CHEMBL2087514,CHEMBL2087515,CHEMBL2087516,CHEMBL2087517,CHEMBL2087518,CHEMBL2087519,CHEMBL2087520,CHEMBL2087521,CHEMBL2087522,CHEMBL2087523,CHEMBL2087524,CHEMBL2087525,CHEMBL2087526,CHEMBL2087741,CHEMBL2087742,CHEMBL2087743,CHEMBL2087744,CHEMBL2087745,CHEMBL2087746,CHEMBL2087747,CHEMBL209534,CHEMBL210032,CHEMBL210618,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL212382,CHEMBL212968,CHEMBL213423,CHEMBL213451,CHEMBL213505,CHEMBL214198,CHEMBL215152,CHEMBL2152382,CHEMBL215652,CHEMBL215803,CHEMBL2170294,CHEMBL219722,CHEMBL220057,CHEMBL220241,CHEMBL2205426,CHEMBL221959,CHEMBL223257,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL225519,CHEMBL226403,CHEMBL226471,CHEMBL22978,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL231209,CHEMBL234085,CHEMBL243088,CHEMBL244378,CHEMBL246970,CHEMBL24828,CHEMBL248757,CHEMBL249282,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL258202,CHEMBL259084,CHEMBL259850,CHEMBL259922,CHEMBL260092,CHEMBL260135,CHEMBL261849,CHEMBL262433,CHEMBL271381,CHEMBL272453,CHEMBL274064,CHEMBL288441,CHEMBL296468,CHEMBL296586,CHEMBL300138,CHEMBL302449,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL326282,CHEMBL336961,CHEMBL340384,CHEMBL340921,CHEMBL362558,CHEMBL363648,CHEMBL365847,CHEMBL371206,CHEMBL373598,CHEMBL375284,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379835,CHEMBL379929,CHEMBL383172,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL387971,CHEMBL392642,CHEMBL394619,CHEMBL394790,CHEMBL396523,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL411903,CHEMBL412142,CHEMBL412281,CHEMBL413779,CHEMBL41783,CHEMBL422897,CHEMBL424872,CHEMBL428690,CHEMBL437747,CHEMBL443962,CHEMBL445813,CHEMBL450786,CHEMBL451964,CHEMBL458997,CHEMBL462120,CHEMBL464552,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL484390,CHEMBL485556,CHEMBL491473,CHEMBL491758,CHEMBL494089,CHEMBL497151,CHEMBL504950,CHEMBL507249,CHEMBL507936,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL513846,CHEMBL513909,CHEMBL514499,CHEMBL519697,CHEMBL521851,CHEMBL522892,CHEMBL523823,CHEMBL52387,CHEMBL525191,CHEMBL526133,CHEMBL535,CHEMBL535331,CHEMBL539474,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL561932,CHEMBL565612,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL583144,CHEMBL590109,CHEMBL592030,CHEMBL601719,CHEMBL608154,CHEMBL7064,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692,CHEMBL97162}
@attribute SRW05 numeric
@attribute D.Dtr03 numeric
@attribute nR03 numeric
@attribute SRW03 numeric
@attribute SRW07 numeric
@attribute nTriazoles numeric
@attribute SpMax2_Bh.i. numeric
@attribute C.043 numeric
@attribute SpMax2_Bh.e. numeric
@attribute SRW09 numeric
@attribute SpMax2_Bh.m. numeric
@attribute C.025 numeric
@attribute Eig10_EA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SNar numeric
@attribute SpMax3_Bh.i. numeric
@attribute Chi0_EA.dm. numeric
@attribute TRS numeric
@attribute SpMax3_Bh.e. numeric
@attribute Xt numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig10_EA.bo. numeric
@attribute SpMax3_Bh.v. numeric
@attribute Wap numeric
@attribute Eig05_EA.ed. numeric
@attribute SM14_AEA.dm. numeric
@attribute Eig11_EA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute Eig12_EA.bo. numeric
@attribute TPC numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig10_EA numeric
@attribute SM04_AEA.dm. numeric
@attribute Eig12_EA numeric
@attribute SM06_AEA.dm. numeric
@attribute SpMax2_Bh.v. numeric
@attribute Eig13_AEA.ed. numeric
@attribute piID numeric
@attribute Eig12_EA.ri. numeric
@attribute X4 numeric
@attribute ATSC1i numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig12_EA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute Eig08_EA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SpAD_AEA.bo. numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute ATSC3m numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig11_EA.bo. numeric
@attribute CATS2D_02_DL numeric
@attribute ATS8p numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Eig15_AEA.ri. numeric
@attribute CATS2D_08_LL numeric
@attribute ATSC2i numeric
@attribute Eig11_AEA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig09_EA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute pXC50 numeric

@data
{1 2.398,5 4.727,7 3.916,8 1,9 3.902,10 6.862,11 4.036,12 3,13 2.275,14 2.275,15 20.285,16 3.867,17 4.368,18 23,19 3.833,20 0.222,21 3.176,22 2.091,23 1.5,24 3.748,25 14504,26 6.071,27 6.071,28 2.275,29 2.275,30 1.382,31 7.412,32 2.5,33 1,34 1,35 0.945,36 0.945,37 3.847,38 3.247,39 10.831,40 0.886,41 8.173,42 0.666,43 1,44 2.192,45 2.192,46 3.032,47 3.032,48 46.121,49 2.229,50 2.229,51 18.974,52 4.69,53 1.5,54 2,55 3.862,56 14.814,57 14.814,58 14.814,59 14.814,60 14.814,61 0.504,62 4,63 1.074,64 3.414,65 43.112,66 1.892,67 2.575,68 2.575,69 1,70 5.05}
{0 CHEMBL101253,7 3.913,9 3.883,11 3.966,12 3,13 2.275,14 2.275,15 19.474,16 3.882,17 18.364,18 24,19 3.846,20 0.227,21 2.943,22 1.851,23 1.5,24 3.758,25 15672,26 5.669,27 5.669,28 2.136,29 2.136,30 0.552,31 7.383,32 2.465,33 1,34 1,35 0.449,36 0.449,37 3.818,38 2.764,39 11.331,40 0.42,41 7.644,42 0.569,43 0.99,44 1.119,45 1.119,46 2.852,47 2.852,48 41.584,49 2.007,50 2.007,51 18.583,52 4.658,53 1.449,54 3,55 3.609,56 13.875,57 13.875,58 13.875,59 13.875,60 13.875,61 0.391,62 8,63 0.892,64 3.247,65 39.561,66 1.405,67 2.575,68 2.575,69 1,70 5.05}
{0 CHEMBL103667,1 2.398,5 4.727,7 4.073,9 4.037,10 6.862,11 4,12 3,13 3.995,14 3.995,15 28.72,16 3.869,17 36.989,18 29,19 3.82,20 0.187,21 3.436,22 2.325,23 1.922,24 3.734,25 65902,26 6.968,27 6.968,28 3.269,29 3.269,30 1.609,31 8.452,32 2.669,33 1.557,34 1.557,35 1.289,36 1.289,37 3.933,38 3.647,39 12.497,40 1.251,41 11.568,42 1.114,43 1.373,44 2.868,45 2.868,46 5.529,47 5.529,48 65.312,49 2.505,50 2.505,51 41.95,52 5.339,53 1.71,54 3,55 4.518,56 21.281,57 21.281,58 21.281,59 21.281,60 21.281,61 1.952,62 12,63 1.786,64 3.952,65 62.139,66 2.267,67 4.897,68 4.897,69 1.327,70 7.204}
{0 CHEMBL105442,1 3.714,2 51.118,3 1,4 1.946,5 5.416,7 3.945,9 3.897,10 7.086,11 4.017,12 1,13 1.357,14 1.357,15 17.512,16 3.858,17 16.843,18 15,19 3.841,20 0.239,21 2.985,22 1.771,23 0.629,24 3.775,25 7431,26 5.926,27 5.926,28 0.394,29 0.394,30 0.082,31 6.802,32 1.375,33 0.548,34 0.548,35 0.072,36 0.072,37 3.8,38 2.417,39 9.226,40 0.047,41 6.499,42 0.668,43 0.415,44 0.165,45 0.165,46 3.641,47 3.641,48 40.142,49 2.138,50 2.138,51 33.685,52 4.887,53 0.193,54 3,55 3.646,56 13.256,57 13.256,58 13.256,59 13.256,60 13.256,61 0.223,62 3,63 1.031,64 2.793,65 36.289,66 0.941,67 2.393,68 2.393,69 0.174,70 5}
{0 CHEMBL1082440,5 2.708,7 3.927,9 3.886,10 5.094,11 3.951,12 3,13 0.292,14 0.292,15 15.603,16 3.641,17 17.457,18 19,19 3.632,20 0.253,21 2.686,22 1.662,23 0.134,24 3.46,25 7764,26 4.755,27 4.755,28 -0.49,29 -0.49,30 -0.285,31 6.864,32 1.18,33 0.13,34 0.13,35 -0.277,36 -0.277,37 3.734,38 2.35,39 9.277,40 -0.263,41 7.147,42 0.669,43 0.124,44 -0.643,45 -0.643,46 2.957,47 2.957,48 35.958,49 1.717,50 1.717,51 31.894,52 4.075,53 -0.28,54 1,55 3.575,56 11.818,57 11.818,58 11.818,59 11.818,60 11.818,63 1.088,64 2.623,65 34.476,66 0.678,67 2.293,68 2.293,69 -0.213,70 5.1}
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{0 CHEMBL2001957,1 2.398,5 4.844,7 3.901,8 1,9 3.855,10 7.081,11 3.806,12 1,13 3.548,14 3.548,15 24.444,16 3.883,17 17.082,18 23,19 3.839,20 0.202,21 3.608,22 2.412,23 1.844,24 3.683,25 38664,26 8.204,27 8.204,28 2.678,29 2.678,30 1.5,31 8.16,32 2.606,33 1.299,34 1.299,35 1,36 1,37 3.766,38 3.467,39 12.261,40 1,41 9.64,42 1.153,43 1.218,44 2.339,45 2.339,46 5.642,47 5.642,48 58.218,49 2.656,50 2.656,51 26.655,52 5.41,53 1.656,54 2,55 4.094,56 18.674,57 18.674,58 18.674,59 18.674,60 18.674,61 1.36,62 1,63 2.095,64 3.645,65 53.161,66 2,67 4.039,68 4.039,69 1.129,70 5.1}
{0 CHEMBL2001998,1 3.045,5 5.476,7 3.946,9 3.876,10 7.644,11 3.826,12 4,13 3.131,14 3.131,15 25.948,16 3.898,17 29.185,18 28,19 3.866,20 0.196,21 3.331,22 2.228,23 1.616,24 3.677,25 85727,26 6.85,27 6.85,28 2.921,29 2.921,30 1.45,31 8.669,32 2.584,33 1.331,34 1.331,35 1,36 1,37 3.786,38 3.414,39 12.246,40 0.965,41 10.655,42 0.968,43 1.242,44 2.65,45 2.65,46 5.182,47 5.182,48 58.131,49 2.4,50 2.4,51 32.526,52 5.289,53 1.5,54 2,55 3.951,56 18.629,57 18.629,58 18.629,59 18.629,60 18.629,61 1.52,62 1,63 1.546,64 3.791,65 54.35,66 1.967,67 3.608,68 3.608,69 1.156,70 5.1}
{0 CHEMBL2002165,1 3.045,5 5.352,7 3.975,9 3.932,10 7.434,11 3.885,12 5,13 4.549,14 4.549,15 26.759,16 3.945,17 21.644,18 28,19 3.906,20 0.193,21 3.421,22 2.352,23 2.169,24 3.807,25 81258,26 7.206,27 7.206,28 3.862,29 3.862,30 1.728,31 8.637,32 2.732,33 1.693,34 1.693,35 1.182,36 1.182,37 3.836,38 3.589,39 13.738,40 1.166,41 11.671,42 0.985,43 1.595,44 2.9,45 2.9,46 5.514,47 5.514,48 61.037,49 2.461,50 2.461,51 27.619,52 5.377,53 1.799,54 6,55 4.104,56 19.786,57 19.786,58 19.786,59 19.786,60 19.786,61 1.675,62 8,63 1.552,64 4.318,65 57.34,66 2.171,67 4.755,68 4.755,69 1.34,70 5.2}
{0 CHEMBL2002240,7 3.928,9 3.892,11 3.859,12 4,13 1.427,14 1.427,15 16.414,16 3.597,17 11.616,18 18,19 3.553,20 0.247,21 2.849,22 1.835,23 0.962,24 3.386,25 9295,26 4.568,27 4.568,28 -0.205,29 -0.205,30 -0.453,31 7.018,32 1.488,33 0.629,34 0.629,35 -0.332,36 -0.332,37 3.804,38 2.439,39 10.728,40 -0.323,41 7.183,42 0.538,43 0.619,44 -0.869,45 -0.869,46 2.973,47 2.973,48 38.622,49 1.844,50 1.844,51 14.675,52 4.442,53 -0.16,54 4,55 3.366,56 12.297,57 12.297,58 12.297,59 12.297,60 12.297,61 0.209,62 4,63 0.819,64 2.732,65 36.551,66 0.646,67 1.787,68 1.787,69 -0.109,70 5.1}
{0 CHEMBL2002322,1 2.398,5 4.727,7 3.919,9 3.903,10 6.862,11 3.943,12 5,13 2.458,14 2.458,15 17.107,16 3.526,17 11.734,18 17,19 3.489,20 0.242,21 3.262,22 2.184,23 1.466,24 3.328,25 12617,26 7.15,27 7.15,28 1.307,29 1.307,30 -0.556,31 7.299,32 1.957,33 1,34 1,35 -0.404,36 -0.404,37 3.837,38 2.816,39 10.634,40 -0.383,41 7.144,42 1.026,43 0.932,44 -1.095,45 -1.095,46 3.92,47 3.92,48 45.458,49 2.297,50 2.297,51 6.355,52 4.915,53 0.697,55 2.953,56 13.826,57 13.826,58 13.826,59 13.826,60 13.826,61 0.05,63 2.22,64 3.268,65 40.448,66 0.553,67 3.4,68 3.4,69 0.472,70 5.1}
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{0 CHEMBL2002446,1 4.263,2 66.278,3 1,4 1.946,5 6.33,7 3.958,9 3.911,10 8.295,11 4.038,12 5,13 3.424,14 3.424,15 26.641,16 3.934,17 26.301,18 30,19 3.885,20 0.194,21 3.417,22 2.318,23 1.908,24 3.782,25 98805,26 7.311,27 7.311,28 2.937,29 2.937,30 1.438,31 8.805,32 2.55,33 1.563,34 1.563,35 1.063,36 1.063,37 3.848,38 3.414,39 12.781,40 0.991,41 10.512,42 0.939,43 1.409,44 2.768,45 2.768,46 5.291,47 5.291,48 58.626,49 2.475,50 2.475,51 33.54,52 5.263,53 1.572,54 2,55 4.131,56 18.829,57 18.829,58 18.829,59 18.829,60 18.829,61 1.525,62 11,63 1.59,64 3.803,65 54.416,66 2.004,67 5.046,68 5.046,69 1.117,70 5.1}
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{0 CHEMBL2004934,7 3.952,9 3.925,11 3.867,12 4,13 2.229,14 2.229,15 18.493,16 3.785,17 14.648,18 18,19 3.749,20 0.233,21 3.049,22 1.995,23 1.5,24 3.646,25 9716,26 5.782,27 5.782,28 2.136,29 2.136,30 0.48,31 6.984,32 2.298,33 1,34 1,35 0.427,36 0.427,37 3.855,38 2.662,39 10.023,40 0.366,41 7.432,42 0.666,43 0.983,44 0.621,45 0.621,46 2.864,47 2.864,48 41.725,49 2.087,50 2.087,51 20.186,52 4.338,53 1.188,54 3,55 3.467,56 13.738,57 13.738,58 13.738,59 13.738,60 13.738,61 0.303,62 7,63 1.047,64 3.247,65 40.043,66 1.292,67 2.584,68 2.584,69 0.884,70 5.1}
{0 CHEMBL2005112,1 3.045,5 5.533,7 4.062,8 1,9 4.022,10 7.735,11 4.153,12 1,13 3.8,14 3.8,15 23.698,16 3.825,17 21.112,18 28,19 3.802,20 0.205,21 3.397,22 2.372,23 1.954,24 3.748,25 55190,26 8.019,27 8.019,28 2.964,29 2.964,30 1.618,31 8.42,32 2.828,33 1.348,34 1.348,35 1.109,36 1.109,37 3.917,38 3.572,39 13.574,40 1.086,41 11.583,42 0.685,43 1.326,44 2.565,45 2.565,46 4.752,47 4.752,48 57.753,49 2.407,50 2.407,51 21.459,52 5.586,53 1.888,54 1,55 3.964,56 17.651,57 17.651,58 17.651,59 17.651,60 17.651,61 1.37,62 9,63 1.118,64 3.969,65 52.925,66 2.097,67 4.451,68 4.451,69 1.333,70 5.1}
{0 CHEMBL2005186,1 2.398,5 4.595,7 4.077,9 4.04,10 6.581,11 4.007,12 3,13 4.135,14 4.135,15 25.948,16 3.897,17 20.292,18 29,19 3.875,20 0.196,21 3.297,22 2.235,23 2.001,24 3.804,25 62547,26 6.932,27 6.932,28 2.996,29 2.996,30 1.683,31 8.438,32 2.822,33 1.534,34 1.534,35 1.15,36 1.15,37 3.954,38 3.481,39 13.781,40 1.127,41 10.762,42 0.891,43 1.502,44 2.699,45 2.699,46 4.395,47 4.395,48 57.325,49 2.342,50 2.342,51 27.707,52 5.158,53 1.936,54 7,55 4.228,56 18.84,57 18.84,58 18.84,59 18.84,60 18.84,61 1.468,62 15,63 1.4,64 3.786,65 54.914,66 2.131,67 4.21,68 4.21,69 1.347,70 5.1}
{0 CHEMBL2005375,1 2.398,5 4.443,7 3.975,9 3.939,10 6.293,11 3.886,12 1,13 3.59,14 3.59,15 27.452,16 3.901,17 35.279,18 29,19 3.848,20 0.191,21 3.506,22 2.451,23 1.818,24 3.721,25 62863,26 8.235,27 8.235,28 3.125,29 3.125,30 1.372,31 8.48,32 2.587,33 1.515,34 1.515,35 1.174,36 1.174,37 3.83,38 3.538,39 10.903,40 1.159,41 12.022,42 1.135,43 1.427,44 2.808,45 2.808,46 5.747,47 5.747,48 61.437,49 2.54,50 2.54,51 47.6,52 5.336,53 1.596,54 4,55 4.312,56 20.093,57 20.093,58 20.093,59 20.093,60 20.093,61 1.651,62 4,63 1.858,64 4.088,65 58.894,66 2.169,67 4.075,68 4.075,69 1.222,70 5.1}
{0 CHEMBL2005475,1 3.045,5 5.416,7 3.946,8 1,9 3.887,10 7.526,11 3.823,12 2,13 2.136,14 2.136,15 18.781,16 3.845,17 5.939,18 22,19 3.819,20 0.231,21 2.673,22 1.628,23 1.329,24 3.752,25 15495,26 4.599,27 4.599,28 2.136,29 2.136,30 0.464,31 7.338,32 2,33 1,34 1,35 0.4,36 0.4,37 3.768,38 2.923,39 10.238,40 0.391,41 7.501,42 0.67,43 1,44 0.913,45 0.913,46 2.942,47 2.942,48 40.85,49 1.722,50 1.722,51 29.943,52 4.193,53 1,54 3,55 3.499,56 13.37,57 13.37,58 13.37,59 13.37,60 13.37,61 0.266,62 5,63 1.129,64 3.247,65 39.085,66 1.395,67 2.465,68 2.465,69 0.962,70 5.1}
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{0 CHEMBL2005548,1 2.398,5 4.727,7 3.981,9 3.96,10 6.843,11 4.076,12 2,13 4.129,14 4.129,15 22.887,16 3.874,17 26.945,18 21,19 3.866,20 0.209,21 3.444,22 2.389,23 1.964,24 3.776,25 40918,26 7.61,27 7.61,28 3.722,29 3.722,30 1.58,31 8.101,32 2.815,33 1.419,34 1.419,35 1.095,36 1.095,37 3.883,38 3.344,39 11.583,40 1.057,41 10.057,42 0.762,43 1.43,44 2.917,45 2.917,46 4.837,47 4.837,48 56.684,49 2.472,50 2.472,51 25.314,52 5.28,53 1.798,54 3,55 3.892,56 17.716,57 17.716,58 17.716,59 17.716,60 17.716,61 1.151,62 4,63 1.174,64 4.173,65 52.55,66 2.071,67 4.397,68 4.397,69 1.414,70 5.1}
{0 CHEMBL2005631,1 2.398,5 4.727,7 3.975,9 3.944,10 6.88,11 3.907,12 5,13 3.605,14 3.605,15 22.887,16 3.88,17 21.624,18 23,19 3.85,20 0.209,21 3.305,22 2.269,23 1.916,24 3.777,25 37653,26 7.082,27 7.082,28 2.881,29 2.881,30 1.5,31 8.03,32 2.556,33 1.373,34 1.373,35 1,36 1,37 3.862,38 3.414,39 12.369,40 1,41 9.865,42 0.862,43 1.334,44 2.275,45 2.275,46 5.273,47 5.273,48 52.807,49 2.326,50 2.326,51 21.036,52 4.974,53 1.579,54 5,55 3.792,56 17.164,57 17.164,58 17.164,59 17.164,60 17.164,61 1.206,62 9,63 1.337,64 3.966,65 50.234,66 2,67 4.028,68 4.028,69 1.071,70 5.8}
{0 CHEMBL2005792,1 2.398,5 4.844,7 3.901,8 1,9 3.854,10 7.081,11 3.805,12 1,13 2.668,14 2.668,15 22.364,16 3.883,17 14.925,18 23,19 3.838,20 0.211,21 3.29,22 2.174,23 1.656,24 3.683,25 29297,26 6.974,27 6.974,28 2.275,29 2.275,30 1.175,31 7.923,32 2.5,33 1.128,34 1.128,35 0.882,36 0.882,37 3.766,38 3.414,39 12.144,40 0.78,41 9.17,42 0.903,43 1.055,44 2.143,45 2.143,46 4.036,47 4.036,48 51.279,49 2.367,50 2.367,51 24.805,52 5.049,53 1.5,54 2,55 4.015,56 16.624,57 16.624,58 16.624,59 16.624,60 16.624,61 1.211,62 1,63 1.407,64 3.55,65 48.011,66 1.771,67 3.493,68 3.493,69 1,70 5.1}
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{0 CHEMBL2005886,1 2.398,5 4.727,7 3.96,8 1,9 3.934,10 6.862,11 4.001,12 2,13 3.561,14 3.561,15 25.66,16 3.876,17 32.179,18 29,19 3.838,20 0.197,21 3.15,22 2.047,23 1.852,24 3.729,25 61174,26 6.346,27 6.346,28 2.907,29 2.907,30 1.46,31 8.419,32 2.72,33 1.414,34 1.414,35 1.142,36 1.142,37 3.867,38 3.473,39 11.977,40 1.076,41 11.06,42 0.901,43 1.286,44 2.71,45 2.71,46 5.253,47 5.253,48 57.956,49 2.244,50 2.244,51 33.93,52 5.056,53 1.685,54 7,55 4.128,56 18.775,57 18.775,58 18.775,59 18.775,60 18.775,61 1.615,62 4,63 1.451,64 3.808,65 54.248,66 2.09,67 4.556,68 4.556,69 1.231,70 5.1}
{0 CHEMBL2005899,7 3.875,9 3.827,11 3.76,13 0.848,14 0.848,15 14.334,16 3.757,17 16.136,18 10,19 3.722,20 0.264,21 2.686,22 1.636,23 0.443,24 3.607,25 3764,26 5.202,27 5.202,28 -0.756,29 -0.756,30 -0.976,31 6.405,32 1.036,33 0.336,34 0.336,35 -0.828,36 -0.828,37 3.713,38 2,39 8.153,40 -0.804,41 5.816,42 0.63,43 0.329,44 -1.966,45 -1.966,46 2.974,47 2.974,48 38.285,49 1.746,50 1.746,51 21.862,52 4.701,53 -0.351,55 3.615,56 11.766,57 11.766,58 11.766,59 11.766,60 11.766,62 9,63 0.951,64 2.852,65 36.169,66 0.155,67 2.136,68 2.136,69 -0.291,70 5.1}
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{0 CHEMBL2006010,7 3.949,9 3.909,11 3.887,12 1,13 2.53,14 2.53,15 17.8,16 3.581,17 18.345,18 18,19 3.545,20 0.237,21 3.033,22 1.925,23 1.58,24 3.416,25 12827,26 5.955,27 5.955,28 0.669,29 0.669,30 0.037,31 7.191,32 1.563,33 1.107,34 1.107,35 0.031,36 0.031,37 3.79,38 2.727,39 10.565,40 0.026,41 7.403,42 0.742,43 1.006,44 0.082,45 0.082,46 3.811,47 3.811,48 42.89,49 2.088,50 2.088,51 12.983,52 4.791,53 0.348,54 3,55 3.262,56 13.797,57 13.797,58 13.797,59 13.797,60 13.797,61 0.212,62 4,63 1.459,64 3.002,65 38.274,66 0.89,67 2.673,68 2.673,69 0.289,70 5.1}
{0 CHEMBL2006156,1 3.045,5 5.13,7 3.894,9 3.865,10 6.986,11 3.814,13 2.896,14 2.896,15 21.789,16 3.842,17 15.508,18 22,19 3.824,20 0.214,21 3.238,22 2.185,23 1.732,24 3.685,25 20185,26 6.84,27 6.84,28 1.962,29 1.962,30 1.006,31 7.662,32 2.298,33 1.232,34 1.232,35 0.68,36 0.68,37 3.75,38 3.022,39 11.247,40 0.653,41 9.908,42 0.789,43 1.225,44 1.717,45 1.717,46 4.337,47 4.337,48 50.498,49 2.276,50 2.276,51 27.478,52 4.712,53 1.201,54 2,55 3.905,56 16.295,57 16.295,58 16.295,59 16.295,60 16.295,61 1.103,62 1,63 1.258,64 3.275,65 48.435,66 1.643,67 4,68 4,69 0.813,70 5.1}
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{0 CHEMBL2006237,1 2.398,5 4.727,7 3.952,8 1,9 3.882,10 6.862,11 3.807,12 1,13 2.863,14 2.863,15 21.671,16 3.88,17 21.255,18 23,19 3.827,20 0.215,21 3.14,22 2.097,23 1.5,24 3.658,25 29295,26 6.535,27 6.535,28 2.468,29 2.468,30 1,31 7.782,32 2.429,33 1.238,34 1.238,35 1,36 1,37 3.756,38 3.151,39 11.13,40 0.948,41 8.607,42 0.899,43 1.21,44 2.275,45 2.275,46 3.657,47 3.657,48 48.097,49 2.169,50 2.169,51 31.325,52 4.889,53 1.425,54 4,55 3.787,56 15.826,57 15.826,58 15.826,59 15.826,60 15.826,61 0.843,62 2,63 1.4,64 3.466,65 45.614,66 1.95,67 3.034,68 3.034,69 1,70 5.1}
{0 CHEMBL2006263,7 4.002,9 3.995,11 4.014,13 0.572,14 0.572,15 16.008,16 3.697,17 12.483,18 18,19 3.675,20 0.25,21 3.04,22 1.997,23 0.287,24 3.532,25 8564,26 6.142,27 6.142,28 -0.414,29 -0.414,30 -0.343,31 6.929,32 1.137,33 0.229,34 0.229,35 -0.262,36 -0.262,37 3.909,38 2.543,39 10.174,40 -0.25,41 6.58,42 0.624,43 0.219,44 -0.677,45 -0.677,46 2.571,47 2.571,48 38.122,49 2.075,50 2.075,51 19.396,52 4.659,53 -0.213,54 4,55 3.268,56 12.311,57 12.311,58 12.311,59 12.311,60 12.311,63 0.951,64 2.715,65 36.335,66 0.695,67 2.275,68 2.275,69 -0.173,70 5.1}
{0 CHEMBL2006276,5 2.708,7 3.915,9 3.876,10 5.38,11 3.823,12 1,13 2.136,14 2.136,15 19.186,16 3.803,17 26.994,18 25,19 3.775,20 0.228,21 2.985,22 1.932,23 1.5,24 3.696,25 22648,26 5.988,27 5.988,28 1.409,29 1.409,30 0.165,31 7.676,32 1.86,33 1,34 1,35 0.138,36 0.138,37 3.783,38 2.813,39 11.141,40 0.128,41 8.155,42 0.621,43 0.983,44 0.339,45 0.339,46 3.056,47 3.056,48 41.551,49 2.03,50 2.03,51 17.481,52 4.857,53 0.768,54 8,55 3.382,56 13.797,57 13.797,58 13.797,59 13.797,60 13.797,61 0.414,63 0.958,64 3.204,65 39.887,66 1.082,67 2.943,68 2.943,69 0.683,70 5.1}
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{0 CHEMBL2087504,1 4.511,2 86.94,3 2,4 2.565,5 6.354,6 1,7 4,8 2,9 3.961,10 8.177,11 3.902,12 4,13 2.88,14 2.88,15 19.997,16 3.907,17 14.796,18 23,19 3.858,20 0.224,21 3.423,22 2.401,23 1.552,24 3.739,25 18193,26 7.217,27 7.217,28 1.448,29 1.448,30 0.2,31 7.527,32 2.044,33 1.051,34 1.051,35 0.182,36 0.182,37 3.863,38 2.782,39 10.829,40 0.178,41 7.761,42 0.697,43 1.028,44 0.443,45 0.443,46 3.567,47 3.567,48 44.893,49 2.429,50 2.429,51 21.787,52 5.055,53 0.848,54 3,55 3.553,56 14.308,57 14.308,58 14.308,59 14.308,60 14.308,61 0.337,62 13,63 1.099,64 3.232,65 43.25,66 1.161,67 3.489,68 3.489,69 0.595,70 7.585}
{0 CHEMBL2087505,1 4.511,2 90.983,3 2,4 2.565,5 6.354,6 1,7 4.003,8 2,9 3.966,10 8.177,11 3.919,12 4,13 3.341,14 3.341,15 20.403,16 3.91,17 15.073,18 23,19 3.86,20 0.221,21 3.428,22 2.41,23 1.666,24 3.74,25 19380,26 7.272,27 7.272,28 1.47,29 1.47,30 0.331,31 7.593,32 2.05,33 1.193,34 1.193,35 0.295,36 0.295,37 3.866,38 2.816,39 10.889,40 0.279,41 8.057,42 0.77,43 1.129,44 0.743,45 0.743,46 4.053,47 4.053,48 46.64,49 2.431,50 2.431,51 21.814,52 5.445,53 0.86,54 3,55 3.548,56 14.782,57 14.782,58 14.782,59 14.782,60 14.782,61 0.482,62 12,63 1.202,64 3.244,65 44.611,66 1.251,67 3.593,68 3.593,69 0.608,70 8.174}
{0 CHEMBL2087506,1 4.615,2 91.348,3 2,4 2.565,5 6.532,6 1,7 4.003,8 2,9 3.966,10 8.419,11 3.908,12 4,13 2.892,14 2.892,15 20.285,16 3.917,17 16.009,18 23,19 3.867,20 0.222,21 3.451,22 2.439,23 1.558,24 3.747,25 19871,26 7.229,27 7.229,28 1.477,29 1.477,30 0.212,31 7.605,32 2.044,33 1.051,34 1.051,35 0.194,36 0.194,37 3.881,38 3,39 10.911,40 0.19,41 7.937,42 0.737,43 1.028,44 0.47,45 0.47,46 3.602,47 3.602,48 46.601,49 2.453,50 2.453,51 23.521,52 5.165,53 0.849,54 3,55 3.619,56 14.764,57 14.764,58 14.764,59 14.764,60 14.764,61 0.384,62 15,63 1.168,64 3.339,65 45.027,66 1.176,67 3.518,68 3.518,69 0.605,70 7.921}
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{0 CHEMBL2087508,1 3.932,2 49.362,3 1,4 1.946,5 5.82,6 1,7 3.997,8 2,9 3.956,10 7.673,11 3.897,12 4,13 2.897,14 2.897,15 20.69,16 3.907,17 14.796,18 24,19 3.858,20 0.22,21 3.409,22 2.384,23 1.562,24 3.739,25 22122,26 7.212,27 7.212,28 1.609,29 1.609,30 0.303,31 7.676,32 2.083,33 1.063,34 1.063,35 0.263,36 0.263,37 3.855,38 2.905,39 10.986,40 0.257,41 7.997,42 0.737,43 1.044,44 0.646,45 0.646,46 3.575,47 3.575,48 45.391,49 2.418,50 2.418,51 24.713,52 5.047,53 0.923,54 3,55 3.618,56 14.808,57 14.808,58 14.808,59 14.808,60 14.808,61 0.9,62 14,63 1.18,64 3.249,65 43.926,66 1.241,67 3.503,68 3.503,69 0.684,70 7.699}
{0 CHEMBL2087509,1 3.932,2 51.512,3 1,4 1.946,5 5.82,6 1,7 4,8 2,9 3.961,10 7.673,11 3.914,12 4,13 3.382,14 3.382,15 21.096,16 3.91,17 15.073,18 24,19 3.86,20 0.218,21 3.418,22 2.399,23 1.687,24 3.74,25 23533,26 7.256,27 7.256,28 1.616,29 1.616,30 0.383,31 7.739,32 2.088,33 1.225,34 1.225,35 0.345,36 0.345,37 3.858,38 2.913,39 11.046,40 0.329,41 8.293,42 0.809,43 1.164,44 0.85,45 0.85,46 4.053,47 4.053,48 47.132,49 2.423,50 2.423,51 24.9,52 5.445,53 0.93,54 3,55 3.613,56 15.282,57 15.282,58 15.282,59 15.282,60 15.282,61 1,62 13,63 1.283,64 3.255,65 45.26,66 1.308,67 3.593,68 3.593,69 0.688,70 8.721}
{0 CHEMBL2087510,1 3.932,2 52.915,3 1,4 1.946,5 5.82,6 1,7 3.992,8 2,9 3.95,10 7.673,11 3.893,12 4,13 2.976,14 2.976,15 22.076,16 3.897,17 19.109,18 26,19 3.851,20 0.213,21 3.385,22 2.35,23 1.587,24 3.733,25 30886,26 7.21,27 7.21,28 2.533,29 2.533,30 1,31 7.921,32 2.302,33 1.161,34 1.161,35 1,36 1,37 3.84,38 3.198,39 11.24,40 0.941,41 8.895,42 0.788,43 1.105,44 2.136,45 2.136,46 3.607,47 3.607,48 48.783,49 2.401,50 2.401,51 28.402,52 5.042,53 1.266,54 3,55 3.699,56 15.808,57 15.808,58 15.808,59 15.808,60 15.808,61 0.916,62 13,63 1.272,64 3.495,65 46.945,66 1.948,67 3.524,68 3.524,69 1,70 7.252}
{0 CHEMBL2087511,1 3.932,2 55.065,3 1,4 1.946,5 5.82,6 1,7 3.995,8 2,9 3.955,10 7.673,11 3.91,12 4,13 3.482,14 3.482,15 22.482,16 3.9,17 19.386,18 26,19 3.854,20 0.211,21 3.404,22 2.376,23 1.733,24 3.733,25 32793,26 7.249,27 7.249,28 2.566,29 2.566,30 1,31 7.982,32 2.302,33 1.315,34 1.315,35 1,36 1,37 3.843,38 3.225,39 11.3,40 0.957,41 9.191,42 0.858,43 1.235,44 2.136,45 2.136,46 4.053,47 4.053,48 50.571,49 2.413,50 2.413,51 28.522,52 5.444,53 1.267,54 3,55 3.694,56 16.282,57 16.282,58 16.282,59 16.282,60 16.282,61 1.049,62 12,63 1.373,64 3.497,65 48.296,66 1.968,67 3.594,68 3.594,69 1.039,70 7.523}
{0 CHEMBL2087512,1 3.932,2 54.672,3 1,4 1.946,5 5.82,6 1,7 3.995,8 2,9 3.957,10 7.673,11 3.955,12 5,13 3.123,14 3.123,15 22.482,16 3.907,17 11.546,18 26,19 3.866,20 0.211,21 3.443,22 2.402,23 1.782,24 3.76,25 35131,26 7.226,27 7.226,28 2.965,29 2.965,30 1.5,31 8.025,32 2.637,33 1.317,34 1.317,35 1,36 1,37 3.876,38 3.212,39 12.394,40 0.971,41 9.26,42 0.695,43 1.251,44 2.588,45 2.588,46 3.863,47 3.863,48 50.684,49 2.45,50 2.45,51 22.759,52 5.148,53 1.703,54 3,55 3.696,56 16.275,57 16.275,58 16.275,59 16.275,60 16.275,61 0.925,62 15,63 1.116,64 3.818,65 48.256,66 1.973,67 3.539,68 3.539,69 1.151,70 8.201}
{0 CHEMBL2087513,1 3.932,2 56.822,3 1,4 1.946,5 5.82,6 1,7 3.998,8 2,9 3.962,10 7.673,11 3.964,12 5,13 3.591,14 3.591,15 22.887,16 3.909,17 11.823,18 26,19 3.868,20 0.209,21 3.443,22 2.411,23 1.912,24 3.76,25 37278,26 7.316,27 7.316,28 3.049,29 3.049,30 1.541,31 8.085,32 2.772,33 1.342,34 1.342,35 1.035,36 1.035,37 3.879,38 3.232,39 12.453,40 1,41 9.556,42 0.768,43 1.306,44 2.634,45 2.634,46 4.059,47 4.059,48 52.412,49 2.45,50 2.45,51 22.101,52 5.446,53 1.782,54 3,55 3.691,56 16.749,57 16.749,58 16.749,59 16.749,60 16.749,61 1.051,62 14,63 1.226,64 3.834,65 49.614,66 2.004,67 3.833,68 3.833,69 1.314,70 8.796}
{0 CHEMBL2087514,1 3.932,2 54.672,3 1,4 1.946,5 5.82,6 1,7 3.994,8 2,9 3.955,10 7.673,11 3.95,12 5,13 3.123,14 3.123,15 22.482,16 3.902,17 11.546,18 26,19 3.858,20 0.211,21 3.442,22 2.396,23 1.782,24 3.744,25 35131,26 7.226,27 7.226,28 2.965,29 2.965,30 1.5,31 8.025,32 2.637,33 1.317,34 1.317,35 1,36 1,37 3.86,38 3.212,39 12.394,40 0.96,41 9.26,42 0.716,43 1.219,44 2.588,45 2.588,46 3.863,47 3.863,48 50.684,49 2.45,50 2.45,51 21.613,52 5.148,53 1.703,54 3,55 3.656,56 16.275,57 16.275,58 16.275,59 16.275,60 16.275,61 0.924,62 12,63 1.134,64 3.818,65 47.994,66 1.963,67 3.539,68 3.539,69 1.151,70 7.42}
{0 CHEMBL2087515,1 3.932,2 56.822,3 1,4 1.946,5 5.82,6 1,7 3.997,8 2,9 3.96,10 7.673,11 3.96,12 5,13 3.591,14 3.591,15 22.887,16 3.905,17 11.823,18 26,19 3.86,20 0.209,21 3.442,22 2.407,23 1.912,24 3.744,25 37278,26 7.316,27 7.316,28 3.049,29 3.049,30 1.541,31 8.085,32 2.772,33 1.342,34 1.342,35 1.035,36 1.035,37 3.863,38 3.232,39 12.453,40 0.983,41 9.556,42 0.789,43 1.269,44 2.634,45 2.634,46 4.059,47 4.059,48 52.412,49 2.45,50 2.45,51 20.833,52 5.446,53 1.782,54 3,55 3.651,56 16.749,57 16.749,58 16.749,59 16.749,60 16.749,61 1.051,62 11,63 1.241,64 3.834,65 49.351,66 1.988,67 3.833,68 3.833,69 1.314,70 9.081}
{0 CHEMBL2087516,1 3.932,2 49.771,3 1,4 1.946,5 5.82,6 1,7 3.99,8 2,9 3.946,10 7.673,11 3.89,12 4,13 2.736,14 2.736,15 19.304,16 3.888,17 16.139,18 20,19 3.842,20 0.228,21 3.281,22 2.217,23 1.483,24 3.726,25 16382,26 7.131,27 7.131,28 1.335,29 1.335,30 0.209,31 7.447,32 1.998,33 1.035,34 1.035,35 0.192,36 0.192,37 3.828,38 2.751,39 10.741,40 0.183,41 7.757,42 0.726,43 0.991,44 0.444,45 0.444,46 3.543,47 3.543,48 43.969,49 2.326,50 2.326,51 22.977,52 5.019,53 0.8,54 3,55 3.596,56 14.209,57 14.209,58 14.209,59 14.209,60 14.209,61 0.383,62 8,63 1.12,64 3.207,65 42.13,66 1.162,67 3.196,68 3.196,69 0.579,70 7.367}
{0 CHEMBL2087517,1 3.932,2 51.921,3 1,4 1.946,5 5.82,6 1,7 3.993,8 2,9 3.951,10 7.673,11 3.907,12 4,13 2.896,14 2.896,15 19.709,16 3.892,17 16.416,18 20,19 3.847,20 0.225,21 3.349,22 2.293,23 1.518,24 3.728,25 17465,26 7.168,27 7.168,28 1.37,29 1.37,30 0.336,31 7.513,32 2.005,33 1.13,34 1.13,35 0.303,36 0.303,37 3.831,38 2.799,39 10.801,40 0.283,41 8.053,42 0.793,43 1.042,44 0.731,45 0.731,46 4.045,47 4.045,48 45.713,49 2.377,50 2.377,51 22.831,52 5.441,53 0.814,54 3,55 3.591,56 14.683,57 14.683,58 14.683,59 14.683,60 14.683,61 0.549,62 8,63 1.218,64 3.23,65 43.466,66 1.25,67 3.592,68 3.592,69 0.592,70 7.745}
{0 CHEMBL2087518,1 3.932,2 49.723,3 1,4 1.946,5 5.82,6 1,7 3.991,8 2,9 3.947,10 7.681,11 3.895,12 4,13 2.844,14 2.844,15 18.898,16 3.887,17 14.4,18 20,19 3.841,20 0.23,21 3.433,22 2.328,23 1.533,24 3.725,25 16236,26 7.225,27 7.225,28 1.341,29 1.341,30 0.197,31 7.447,32 1.998,33 1.036,34 1.036,35 0.18,36 0.18,37 3.825,38 2.802,39 10.741,40 0.175,41 7.776,42 0.865,43 0.994,44 0.438,45 0.438,46 3.553,47 3.553,48 45.501,49 2.445,50 2.445,51 17.095,52 5.077,53 0.774,54 3,55 3.419,56 14.299,57 14.299,58 14.299,59 14.299,60 14.299,61 0.16,62 6,63 1.65,64 3.237,65 42.388,66 1.158,67 3.43,68 3.43,69 0.536,70 6.069}
{0 CHEMBL2087519,1 3.932,2 51.873,3 1,4 1.946,5 5.82,6 1,7 3.993,8 2,9 3.952,10 7.681,11 3.912,12 4,13 3.226,14 3.226,15 19.304,16 3.892,17 14.677,18 20,19 3.846,20 0.228,21 3.435,22 2.363,23 1.625,24 3.726,25 17311,26 7.312,27 7.312,28 1.378,29 1.378,30 0.32,31 7.513,32 2.006,33 1.144,34 1.144,35 0.284,36 0.284,37 3.828,38 2.826,39 10.801,40 0.267,41 8.072,42 0.95,43 1.052,44 0.718,45 0.718,46 4.053,47 4.053,48 47.244,49 2.446,50 2.446,51 16.315,52 5.446,53 0.791,54 3,55 3.413,56 14.773,57 14.773,58 14.773,59 14.773,60 14.773,61 0.2,62 6,63 1.76,64 3.247,65 43.736,66 1.238,67 3.593,68 3.593,69 0.557,70 7.071}
{0 CHEMBL2087520,1 3.932,2 49.799,3 1,4 1.946,5 5.82,6 1,7 3.992,8 2,9 3.95,10 7.673,11 3.908,12 4,13 2.577,14 2.577,15 19.016,16 3.891,17 13.046,18 20,19 3.845,20 0.229,21 3.345,22 2.314,23 1.538,24 3.726,25 15543,26 7.111,27 7.111,28 1.279,29 1.279,30 0.317,31 7.424,32 2.006,33 1.047,34 1.047,35 0.279,36 0.279,37 3.828,38 2.787,39 10.801,40 0.264,41 7.871,42 0.745,43 1.006,44 0.704,45 0.704,46 4.013,47 4.013,48 45.063,49 2.358,50 2.358,51 18.061,52 5.42,53 0.753,54 3,55 3.446,56 14.262,57 14.262,58 14.262,59 14.262,60 14.262,61 0.209,62 6,63 1.13,64 3.216,65 43.154,66 1.236,67 3.592,68 3.592,69 0.525,70 6.991}
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{0 CHEMBL2087525,1 3.932,2 60.491,3 1,4 1.946,5 5.82,6 1,7 3.998,8 2,9 3.974,10 7.681,11 4.11,12 4,13 3.593,14 3.593,15 21.383,16 3.926,17 19.076,18 20,19 3.927,20 0.216,21 3.64,22 2.558,23 1.782,24 3.765,25 25491,26 8.532,27 8.532,28 3.272,29 3.272,30 0.799,31 7.812,32 2.594,33 1.317,34 1.317,35 0.561,36 0.561,37 3.854,38 3.208,39 11.242,40 0.543,41 9.465,42 0.944,43 1.323,44 1.392,45 1.392,46 4.919,47 4.919,48 53.341,49 2.686,50 2.686,51 28.915,52 5.582,53 1.633,54 5,55 3.786,56 16.765,57 16.765,58 16.765,59 16.765,60 16.765,61 0.631,62 10,63 1.456,64 4.171,65 50.678,66 1.532,67 4.053,68 4.053,69 1.149,70 7.77}
{0 CHEMBL2087526,1 3.932,2 51.873,3 1,4 1.946,5 5.82,6 1,7 3.994,8 2,9 3.953,10 7.681,11 3.909,12 4,13 3.226,14 3.226,15 19.304,16 3.894,17 16.55,18 20,19 3.848,20 0.228,21 3.442,22 2.424,23 1.625,24 3.729,25 17311,26 7.312,27 7.312,28 1.378,29 1.378,30 0.32,31 7.513,32 2.006,33 1.144,34 1.144,35 0.284,36 0.284,37 3.836,38 2.826,39 10.801,40 0.268,41 8.072,42 0.797,43 1.077,44 0.718,45 0.718,46 4.053,47 4.053,48 47.244,49 2.446,50 2.446,51 24.198,52 5.446,53 0.791,54 5,55 3.584,56 14.773,57 14.773,58 14.773,59 14.773,60 14.773,61 0.204,62 10,63 1.244,64 3.247,65 44.793,66 1.239,67 3.593,68 3.593,69 0.557,70 8.509}
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{0 CHEMBL2087742,1 3.932,2 54.709,3 1,4 1.946,5 5.82,6 1,7 3.995,8 2,9 3.955,10 7.689,11 3.911,12 4,13 3.397,14 3.397,15 20.115,16 3.897,17 19.541,18 20,19 3.85,20 0.223,21 3.454,22 2.433,23 1.684,24 3.731,25 20000,26 7.785,27 7.785,28 2.56,29 2.56,30 0.469,31 7.655,32 2.323,33 1.169,34 1.169,35 0.426,36 0.426,37 3.843,38 3.017,39 10.975,40 0.385,41 9.068,42 0.975,43 1.099,44 1.073,45 1.073,46 5.199,47 5.199,48 50.501,49 2.471,50 2.471,51 23.925,52 5.451,53 1.261,54 3,55 3.63,56 15.72,57 15.72,58 15.72,59 15.72,60 15.72,61 0.62,62 10,63 1.536,64 3.82,65 47.7,66 1.351,67 3.595,68 3.595,69 0.94,70 8.208}
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{0 CHEMBL941,7 3.983,9 3.942,11 3.891,12 4,13 3.703,14 3.703,15 28.027,16 3.932,17 30.255,18 30,19 3.893,20 0.189,21 3.344,22 2.27,23 2,24 3.816,25 68589,26 6.87,27 6.87,28 3.364,29 3.364,30 1.75,31 8.411,32 2.744,33 1.441,34 1.441,35 1.238,36 1.238,37 3.855,38 3.429,39 12.824,40 1.197,41 10.811,42 1.057,43 1.398,44 2.792,45 2.792,46 5.438,47 5.438,48 61.129,49 2.392,50 2.392,51 34.233,52 5.204,53 1.806,54 5,55 4.166,56 20.276,57 20.276,58 20.276,59 20.276,60 20.276,61 1.961,62 11,63 1.689,64 4.047,65 58.468,66 2.207,67 4.415,68 4.415,69 1.265,70 5.05}
{0 CHEMBL95692,1 2.398,5 4.727,7 3.89,9 3.849,10 6.862,11 3.792,12 1,13 2.275,14 2.275,15 19.879,16 3.84,17 18.59,18 23,19 3.786,20 0.224,21 3.012,22 1.916,23 1.213,24 3.629,25 13117,26 5.945,27 5.945,28 2.136,29 2.136,30 1,31 7.332,32 2.139,33 1,34 1,35 0.802,36 0.802,37 3.747,38 2.753,39 10.218,40 0.735,41 8.216,42 0.788,43 0.983,44 2.12,45 2.12,46 2.738,47 2.738,48 43.502,49 2.082,50 2.082,51 24.214,52 4.654,53 1.084,54 2,55 3.883,56 14.28,57 14.28,58 14.28,59 14.28,60 14.28,61 0.425,63 1.245,64 3.414,65 40.709,66 1.72,67 2.465,68 2.465,69 0.934,70 5.1}
{0 CHEMBL97162,1 2.398,5 4.727,7 3.897,9 3.86,10 6.862,11 3.794,12 1,13 2.275,14 2.275,15 20.285,16 3.845,17 14.422,18 23,19 3.801,20 0.222,21 3.142,22 2.055,23 1.343,24 3.664,25 14584,26 6.012,27 6.012,28 2.275,29 2.275,30 1,31 7.421,32 2.287,33 1,34 1,35 0.807,36 0.807,37 3.761,38 2.795,39 10.265,40 0.74,41 8.367,42 0.787,43 1,44 2.122,45 2.122,46 3.092,47 3.092,48 45.287,49 2.203,50 2.203,51 26.544,52 5.013,53 1.19,54 2,55 3.962,56 14.746,57 14.746,58 14.746,59 14.746,60 14.746,61 0.65,62 4,63 1.266,64 3.414,65 42.294,66 1.725,67 2.734,68 2.734,69 1,70 4}