@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4576

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1082440,CHEMBL1084546,CHEMBL1090356,CHEMBL1090360,CHEMBL116070,CHEMBL1164180,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1236107,CHEMBL1236126,CHEMBL1240703,CHEMBL1241473,CHEMBL1241674,CHEMBL1242373,CHEMBL124660,CHEMBL127898,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1375418,CHEMBL1375640,CHEMBL1419458,CHEMBL1421,CHEMBL1461728,CHEMBL1516890,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1624529,CHEMBL1682358,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682554,CHEMBL1682558,CHEMBL1721885,CHEMBL17370,CHEMBL178737,CHEMBL1789941,CHEMBL180022,CHEMBL1825138,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL1958401,CHEMBL196363,CHEMBL1964288,CHEMBL1964290,CHEMBL1964340,CHEMBL1964413,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964777,CHEMBL1964804,CHEMBL1964937,CHEMBL1965131,CHEMBL1965423,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965631,CHEMBL1965660,CHEMBL1965702,CHEMBL1965836,CHEMBL1965845,CHEMBL1965988,CHEMBL1966035,CHEMBL1966040,CHEMBL1966087,CHEMBL1966204,CHEMBL1966279,CHEMBL1966343,CHEMBL1966425,CHEMBL1966514,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1967094,CHEMBL1967116,CHEMBL1967302,CHEMBL1967531,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967662,CHEMBL1967704,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1968127,CHEMBL1968151,CHEMBL1968380,CHEMBL1968406,CHEMBL1968459,CHEMBL1968590,CHEMBL1968705,CHEMBL1968791,CHEMBL1968926,CHEMBL1968930,CHEMBL1969042,CHEMBL1969049,CHEMBL1969126,CHEMBL1969151,CHEMBL1969190,CHEMBL1969221,CHEMBL1969301,CHEMBL1969372,CHEMBL1969473,CHEMBL1969502,CHEMBL1969506,CHEMBL1969523,CHEMBL1969537,CHEMBL1969561,CHEMBL1969588,CHEMBL1969664,CHEMBL1969735,CHEMBL1969755,CHEMBL1969843,CHEMBL1969879,CHEMBL1969920,CHEMBL1970074,CHEMBL1970104,CHEMBL1970142,CHEMBL1970189,CHEMBL1970203,CHEMBL1970217,CHEMBL1970314,CHEMBL1970317,CHEMBL1970340,CHEMBL1970369,CHEMBL1970522,CHEMBL1970709,CHEMBL1970735,CHEMBL1970806,CHEMBL1970821,CHEMBL1970903,CHEMBL1970913,CHEMBL1970950,CHEMBL1971021,CHEMBL1971029,CHEMBL1971141,CHEMBL1971149,CHEMBL1971172,CHEMBL1971186,CHEMBL1971245,CHEMBL1971430,CHEMBL1971649,CHEMBL1971694,CHEMBL1971943,CHEMBL1971951,CHEMBL1972119,CHEMBL1972125,CHEMBL1972142,CHEMBL1972158,CHEMBL1972221,CHEMBL1972258,CHEMBL1972276,CHEMBL1972290,CHEMBL1972339,CHEMBL1972489,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972820,CHEMBL1972849,CHEMBL1972937,CHEMBL1972988,CHEMBL1973098,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973483,CHEMBL1973540,CHEMBL1973720,CHEMBL1973808,CHEMBL1973860,CHEMBL1973893,CHEMBL1973937,CHEMBL1973961,CHEMBL1974250,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974664,CHEMBL1974702,CHEMBL1974803,CHEMBL1974870,CHEMBL1974935,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975208,CHEMBL1975233,CHEMBL1975256,CHEMBL1975440,CHEMBL1975490,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1975900,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976220,CHEMBL1976240,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1976936,CHEMBL1977128,CHEMBL1977135,CHEMBL1977148,CHEMBL1977223,CHEMBL1977346,CHEMBL1977681,CHEMBL1978014,CHEMBL1978099,CHEMBL1978200,CHEMBL1978448,CHEMBL1978645,CHEMBL1979057,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979318,CHEMBL1979357,CHEMBL1979516,CHEMBL1979577,CHEMBL1979855,CHEMBL1979883,CHEMBL1979933,CHEMBL1979970,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980178,CHEMBL1980253,CHEMBL1980297,CHEMBL1980391,CHEMBL1980435,CHEMBL1980489,CHEMBL1980540,CHEMBL1980562,CHEMBL1980592,CHEMBL1980704,CHEMBL1980896,CHEMBL1980995,CHEMBL1981047,CHEMBL1981079,CHEMBL1981410,CHEMBL1981511,CHEMBL1981720,CHEMBL1981725,CHEMBL1981782,CHEMBL1982122,CHEMBL1982135,CHEMBL1982271,CHEMBL1982361,CHEMBL1982383,CHEMBL1982400,CHEMBL1982465,CHEMBL1982466,CHEMBL1982506,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982711,CHEMBL1982866,CHEMBL1982874,CHEMBL1982924,CHEMBL1982957,CHEMBL1982980,CHEMBL1982982,CHEMBL1982992,CHEMBL1983025,CHEMBL1983111,CHEMBL1983157,CHEMBL1983195,CHEMBL1983268,CHEMBL1983315,CHEMBL1983449,CHEMBL1983534,CHEMBL1983589,CHEMBL1983595,CHEMBL1983855,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1984038,CHEMBL1984039,CHEMBL1984162,CHEMBL1984191,CHEMBL1984363,CHEMBL1984367,CHEMBL1984586,CHEMBL1984633,CHEMBL1984700,CHEMBL1984711,CHEMBL1984788,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985153,CHEMBL1985406,CHEMBL1985654,CHEMBL1985723,CHEMBL1986139,CHEMBL1986186,CHEMBL1986263,CHEMBL1986328,CHEMBL1986499,CHEMBL1986530,CHEMBL1986597,CHEMBL1986603,CHEMBL1986666,CHEMBL1986767,CHEMBL1986781,CHEMBL1986851,CHEMBL1986855,CHEMBL1986869,CHEMBL1986943,CHEMBL1986970,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987073,CHEMBL1987261,CHEMBL1987359,CHEMBL1987448,CHEMBL1987533,CHEMBL1987679,CHEMBL1987745,CHEMBL1987793,CHEMBL1987910,CHEMBL1987948,CHEMBL1988075,CHEMBL1988153,CHEMBL1988163,CHEMBL1988173,CHEMBL1988300,CHEMBL1988331,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988594,CHEMBL1988608,CHEMBL1988662,CHEMBL1988717,CHEMBL1988838,CHEMBL1989006,CHEMBL1989029,CHEMBL1989136,CHEMBL1989265,CHEMBL1989293,CHEMBL1989474,CHEMBL1989518,CHEMBL1989569,CHEMBL1989646,CHEMBL1989708,CHEMBL1989805,CHEMBL1990162,CHEMBL1990254,CHEMBL1990288,CHEMBL1990415,CHEMBL1990482,CHEMBL1990496,CHEMBL1990708,CHEMBL1990821,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991063,CHEMBL1991078,CHEMBL1991138,CHEMBL1991188,CHEMBL1991285,CHEMBL1991356,CHEMBL1991395,CHEMBL1991410,CHEMBL1991429,CHEMBL1991434,CHEMBL1991674,CHEMBL1991678,CHEMBL1991725,CHEMBL1991800,CHEMBL1992220,CHEMBL1992231,CHEMBL1992242,CHEMBL1992306,CHEMBL1992323,CHEMBL1992342,CHEMBL1992363,CHEMBL1992536,CHEMBL1992555,CHEMBL1992634,CHEMBL1992740,CHEMBL1992922,CHEMBL1992937,CHEMBL1993243,CHEMBL1993413,CHEMBL1993424,CHEMBL1993548,CHEMBL1993584,CHEMBL1993648,CHEMBL1993661,CHEMBL1993722,CHEMBL1993781,CHEMBL1993941,CHEMBL1994040,CHEMBL1994074,CHEMBL1994241,CHEMBL1994321,CHEMBL1994438,CHEMBL1994526,CHEMBL1994538,CHEMBL1994693,CHEMBL1994830,CHEMBL1994864,CHEMBL1994938,CHEMBL1995172,CHEMBL1995712,CHEMBL1995740,CHEMBL1995811,CHEMBL1995813,CHEMBL1995832,CHEMBL1995932,CHEMBL1996066,CHEMBL1996111,CHEMBL1996234,CHEMBL1996339,CHEMBL1996447,CHEMBL1996500,CHEMBL1996587,CHEMBL1996649,CHEMBL1996791,CHEMBL1996817,CHEMBL1996831,CHEMBL1996931,CHEMBL1996979,CHEMBL1996980,CHEMBL1997023,CHEMBL1997025,CHEMBL1997129,CHEMBL1997340,CHEMBL1997349,CHEMBL1997503,CHEMBL1997534,CHEMBL1997554,CHEMBL1997597,CHEMBL1997617,CHEMBL1997643,CHEMBL1997764,CHEMBL1997822,CHEMBL1997846,CHEMBL1997872,CHEMBL1998068,CHEMBL1998112,CHEMBL1998121,CHEMBL1998193,CHEMBL1998414,CHEMBL1998432,CHEMBL1998470,CHEMBL1998545,CHEMBL1998585,CHEMBL1998611,CHEMBL1998826,CHEMBL1998829,CHEMBL1999112,CHEMBL1999126,CHEMBL1999153,CHEMBL1999279,CHEMBL1999321,CHEMBL1999414,CHEMBL1999428,CHEMBL1999496,CHEMBL1999590,CHEMBL1999714,CHEMBL1999718,CHEMBL1999811,CHEMBL1999931,CHEMBL2000071,CHEMBL2000114,CHEMBL2000335,CHEMBL2000345,CHEMBL2000354,CHEMBL2000393,CHEMBL2000408,CHEMBL2000429,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000801,CHEMBL2000832,CHEMBL2000894,CHEMBL2001224,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001477,CHEMBL2001485,CHEMBL2001547,CHEMBL2001646,CHEMBL2001751,CHEMBL2001920,CHEMBL2001957,CHEMBL2002165,CHEMBL2002346,CHEMBL2002373,CHEMBL2002446,CHEMBL2002456,CHEMBL2002479,CHEMBL2002613,CHEMBL2002649,CHEMBL2002682,CHEMBL2002702,CHEMBL2002726,CHEMBL2002992,CHEMBL2003229,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003637,CHEMBL2003638,CHEMBL2003682,CHEMBL2003817,CHEMBL2004156,CHEMBL2004290,CHEMBL2004311,CHEMBL2004365,CHEMBL2004419,CHEMBL2004443,CHEMBL2004447,CHEMBL2004544,CHEMBL2004615,CHEMBL2004631,CHEMBL2004692,CHEMBL2004716,CHEMBL2004771,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2004934,CHEMBL2005186,CHEMBL2005216,CHEMBL2005375,CHEMBL2005387,CHEMBL2005475,CHEMBL2005509,CHEMBL2005528,CHEMBL2005631,CHEMBL2005718,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006010,CHEMBL2006156,CHEMBL2006188,CHEMBL2006237,CHEMBL2006263,CHEMBL2006276,CHEMBL2006439,CHEMBL2006450,CHEMBL2006456,CHEMBL2006493,CHEMBL2006580,CHEMBL2006715,CHEMBL2006778,CHEMBL2006785,CHEMBL2006836,CHEMBL2007002,CHEMBL2007044,CHEMBL2007064,CHEMBL2007296,CHEMBL2007372,CHEMBL2007592,CHEMBL2062563,CHEMBL2062564,CHEMBL2062565,CHEMBL2062575,CHEMBL2062577,CHEMBL2062581,CHEMBL2062585,CHEMBL207400,CHEMBL208637,CHEMBL210618,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL213207,CHEMBL213505,CHEMBL215152,CHEMBL220057,CHEMBL220241,CHEMBL221959,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL225519,CHEMBL226232,CHEMBL226403,CHEMBL226471,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL231209,CHEMBL2333365,CHEMBL234085,CHEMBL243088,CHEMBL243298,CHEMBL243518,CHEMBL244378,CHEMBL246970,CHEMBL24828,CHEMBL248757,CHEMBL249282,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL259084,CHEMBL259922,CHEMBL260135,CHEMBL261849,CHEMBL262433,CHEMBL271381,CHEMBL272453,CHEMBL274064,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL340384,CHEMBL340921,CHEMBL362558,CHEMBL363648,CHEMBL371206,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379835,CHEMBL379975,CHEMBL384304,CHEMBL385478,CHEMBL386051,CHEMBL387971,CHEMBL392642,CHEMBL394619,CHEMBL394790,CHEMBL396523,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL411903,CHEMBL412142,CHEMBL41783,CHEMBL422897,CHEMBL424872,CHEMBL428690,CHEMBL443962,CHEMBL445813,CHEMBL450786,CHEMBL458997,CHEMBL462120,CHEMBL464552,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL484390,CHEMBL49120,CHEMBL491473,CHEMBL491758,CHEMBL494089,CHEMBL497151,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL513846,CHEMBL513909,CHEMBL514499,CHEMBL519697,CHEMBL521851,CHEMBL522892,CHEMBL52387,CHEMBL525191,CHEMBL526133,CHEMBL535,CHEMBL539474,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL565612,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL583144,CHEMBL592030,CHEMBL601719,CHEMBL608154,CHEMBL7064,CHEMBL86771,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute Cl.090 numeric
@attribute nPyrroles numeric
@attribute SaaNH numeric
@attribute nBnz numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute CATS2D_06_DD numeric
@attribute P_VSA_LogP_6 numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute NaaNH numeric
@attribute SpMax1_Bh.e. numeric
@attribute P_VSA_MR_8 numeric
@attribute N. numeric
@attribute D.Dtr09 numeric
@attribute SM09_EA.bo. numeric
@attribute SpDiam_EA.ed. numeric
@attribute JGI2 numeric
@attribute JGI5 numeric
@attribute SaaaC numeric
@attribute nR09 numeric
@attribute C.026 numeric
@attribute SM11_EA.bo. numeric
@attribute MATS7i numeric
@attribute C.033 numeric
@attribute GGI5 numeric
@attribute CATS2D_05_LL numeric
@attribute SpMax1_Bh.s. numeric
@attribute MAXDP numeric
@attribute Eig01_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SM13_EA.bo. numeric
@attribute SM12_EA.bo. numeric
@attribute SsCl numeric
@attribute GATS6v numeric
@attribute PDI numeric
@attribute SRW07 numeric
@attribute SRW09 numeric
@attribute nCrs numeric
@attribute H.048 numeric
@attribute Eig01_AEA.ed. numeric
@attribute SpMax_AEA.ed. numeric
@attribute Chi1_EA.dm. numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute Chi0_EA.dm. numeric
@attribute ATSC4s numeric
@attribute ATSC4e numeric
@attribute NaaaC numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_07_DA numeric
@attribute nN numeric
@attribute ATS7m numeric
@attribute GGI8 numeric
@attribute SM10_EA.bo. numeric
@attribute Eig01_EA numeric
@attribute SM09_AEA.bo. numeric
@attribute SpDiam_EA numeric
@attribute SpMax_EA numeric
@attribute N.075 numeric
@attribute NaaN numeric
@attribute SM14_EA.ed. numeric
@attribute PCD numeric
@attribute SM15_EA.ed. numeric
@attribute CATS2D_02_DL numeric
@attribute pXC50 numeric

@data
{3 3.368,4 2,5 4,6 8,8 17.717,9 4.301,10 4.301,11 7.301,12 4.301,13 1,14 4.093,15 19.133,16 7,18 13.557,19 18.235,20 0.079,21 0.032,24 2,25 16.393,26 -0.104,28 1.202,29 14,30 8.201,31 5.338,32 11.08,33 11.08,34 11.08,35 19.238,36 17.883,38 0.929,39 1.04,40 4.727,41 6.862,44 6.747,45 6.747,46 2.498,47 4.698,48 6.698,49 4.698,50 4.368,51 40.885,52 0.275,54 4,55 1,56 3,57 3.897,58 0.357,59 15.108,60 3.204,61 3.204,62 5.204,63 3.204,64 2,65 2,66 33.738,67 3.419,68 36.124,69 2,70 5.25}
{0 CHEMBL101253,4 2,5 4,6 8,8 2.328,9 4.543,10 4.543,11 7.543,12 4.543,14 4.095,16 10,18 13.773,19 18.155,20 0.058,21 0.016,22 2.127,24 2,25 16.755,26 -0.049,28 0.542,29 13,30 5.089,31 1.836,32 10.902,33 10.902,34 10.902,35 19.747,36 18.301,37 5.947,38 0.925,39 1.037,44 6.707,45 6.707,46 28.435,47 3.258,48 5.258,49 3.258,50 18.364,51 24.391,52 0.152,53 2,54 2,56 4,57 3.668,58 0.2,59 15.376,60 3.153,61 3.153,62 5.153,63 3.153,64 3,65 3,66 33.468,67 3.948,68 35.845,69 3,70 5.25}
{0 CHEMBL103667,4 3,5 6,6 10,8 4.276,9 4.54,10 4.54,11 7.54,12 4.54,14 4.112,16 6.6,18 14.116,19 19.07,20 0.073,21 0.026,22 1.871,24 3,25 17.066,26 -0.131,28 1.507,29 6,30 7.431,31 6.244,32 11.836,33 11.836,34 11.836,35 20.028,36 18.579,38 0.939,39 0.975,40 4.727,41 6.862,44 7.139,45 7.139,46 47.755,47 3.613,48 5.613,49 3.613,50 36.989,51 58.81,52 0.467,53 2,54 8,55 1,56 5,57 4.329,58 0.637,59 15.665,60 3.366,61 3.366,62 5.366,63 3.366,64 1,65 1,66 34.951,67 4.045,68 37.389,69 3,70 5}
{0 CHEMBL105442,4 2,5 7,6 5,8 29.92,9 4.211,10 4.211,11 7.211,12 4.211,14 4.002,15 56.782,16 5.1,18 13.332,19 18.175,20 0.103,21 0.029,24 6,25 16.152,26 -0.032,28 0.976,29 5,30 8.239,31 6.277,32 10.87,33 10.87,34 10.87,35 18.978,36 17.615,37 6.12,38 0.838,39 0.995,40 5.416,41 7.086,42 2,44 6.732,45 6.732,46 19.271,47 4.041,48 6.041,49 4.041,50 16.843,51 78.619,52 0.789,54 4,56 2,57 4.266,58 0.261,59 14.839,60 3.167,61 3.167,62 5.167,63 3.167,66 33.464,67 2.424,68 35.83,69 3,70 5}
{0 CHEMBL1082440,4 1,5 3,6 3,9 4.908,10 4.908,11 7.908,12 4.908,14 4.173,16 7,18 14.555,19 22.854,20 0.102,21 0.025,22 1.642,24 1,25 17.688,26 -0.28,28 0.851,29 5,30 7.715,31 6.194,32 14.252,33 14.252,34 14.252,35 20.828,36 19.267,38 0.884,39 0.986,40 2.708,41 5.094,42 2,44 7.789,45 7.789,46 25.392,47 4.751,48 6.751,49 4.751,50 17.457,51 67.944,52 0.406,53 2,56 3,57 3.283,58 0.09,59 16.147,60 3.595,61 3.595,62 5.595,63 3.595,64 1,65 1,66 37.212,67 2.413,68 39.864,69 1,70 5.5}
{0 CHEMBL1084546,4 1,5 3,6 3,8 6.555,9 4.543,10 4.543,11 7.543,12 4.543,14 4.056,16 12.7,17 159.647,18 14.228,19 19.963,20 0.082,21 0.03,23 1,24 2,25 17.143,26 -0.179,28 1.459,29 1,30 8.513,31 5.604,32 12.246,33 12.246,34 12.246,35 20.074,36 18.634,38 0.947,39 1.002,40 4.727,41 6.804,42 1,44 7.249,45 7.249,46 61.621,47 4.47,48 6.47,49 4.47,50 36.58,51 160.785,52 1.523,54 3,55 2,56 7,57 4.216,58 0.689,59 15.742,60 3.384,61 3.384,62 5.384,63 3.384,64 3,65 3,66 35.681,67 3.702,68 38.171,69 7,70 6.7}
{0 CHEMBL1090356,4 3,5 5,6 13,8 28.198,9 4.68,10 4.68,11 7.68,12 4.68,14 4.161,15 31.278,16 9.7,18 14.218,19 19.437,20 0.049,21 0.015,22 0.857,24 3,25 17.202,26 -0.072,27 2,28 1.074,29 9,30 7.429,31 5.744,32 12.063,33 12.063,34 12.063,35 20.213,36 18.748,38 0.933,39 1.048,40 5.416,41 7.535,43 2,44 7.021,45 7.021,46 47.09,47 3.628,48 5.628,49 3.628,50 30.357,51 41.244,52 0.26,53 1,54 4,55 1,56 7,57 4.409,58 0.545,59 15.805,60 3.327,61 3.327,62 5.327,63 3.327,64 3,65 3,66 34.897,67 6.374,68 37.375,69 5,70 5.5}
{0 CHEMBL1090360,4 3,5 5,6 13,8 28.198,9 4.68,10 4.68,11 7.68,12 4.68,14 4.161,15 31.278,16 9.7,18 14.222,19 19.437,20 0.046,21 0.015,22 0.856,24 3,25 17.207,26 -0.116,27 2,28 1.074,29 9,30 7.429,31 5.755,32 12.063,33 12.063,34 12.063,35 20.217,36 18.752,38 0.953,39 1.048,40 5.416,41 7.535,43 2,44 7.021,45 7.021,46 49.59,47 3.628,48 5.628,49 3.628,50 30.357,51 40.819,52 0.269,53 1,54 5,55 2,56 7,57 4.456,58 0.493,59 15.809,60 3.327,61 3.327,62 5.327,63 3.327,64 3,65 3,66 34.901,67 6.423,68 37.378,69 5,70 5.5}
{0 CHEMBL116070,4 1,5 2,6 4,8 2.104,9 4.534,10 4.534,11 7.534,12 4.534,14 4.077,15 77.232,16 6.9,17 75.218,18 13.737,19 17.43,20 0.072,21 0.02,22 1.704,23 1,24 3,25 16.719,26 0.146,28 0.434,29 4,30 7.437,31 4.244,32 10.525,33 10.525,34 10.525,35 19.711,36 18.249,38 0.97,39 1.028,40 4.727,41 6.862,44 6.585,45 6.585,46 11.167,47 3.522,48 5.522,49 3.522,50 10.938,51 24.202,52 0.276,53 2,54 1,56 2,57 3.523,58 0.158,59 15.307,60 3.137,61 3.137,62 5.137,63 3.137,64 1,65 1,66 32.983,67 3.223,68 35.324,70 5.5}
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{0 CHEMBL117697,4 2,5 4,6 8,8 2.328,9 4.433,10 4.433,11 7.433,12 4.433,14 4.064,16 9.4,18 13.516,19 17.08,20 0.056,21 0.017,22 1.913,24 2,25 16.472,26 -0.035,28 0.333,29 3,30 5.083,31 1.707,32 10.242,33 10.242,34 10.242,35 19.428,36 18.002,38 1.03,39 1.01,44 6.515,45 6.515,46 23.856,47 3.116,48 5.116,49 3.116,50 13.8,51 19.084,52 0.183,53 2,54 3,56 3,57 3.023,58 0.086,59 15.105,60 3.047,61 3.047,62 5.047,63 3.047,64 2,65 2,66 32.598,67 3.416,68 34.912,69 3,70 5.5}
{0 CHEMBL1190711,4 1,5 3,6 3,8 14.099,9 4.52,10 4.52,11 7.52,12 4.52,14 4.129,16 12.8,17 114.293,18 14.027,19 17.58,20 0.079,21 0.024,22 0.67,23 1,24 2,25 16.962,26 0.072,27 1,28 1.021,30 7.437,31 4.722,32 10.565,33 10.565,34 10.565,35 19.905,36 18.471,38 0.882,39 1.004,40 4.595,41 6.605,43 1,44 6.596,45 6.596,46 28.736,47 3.539,48 5.539,49 3.539,50 19.544,51 44.53,52 0.535,53 1,54 4,55 1,56 6,57 3.979,58 0.404,59 15.578,60 3.157,61 3.157,62 5.157,63 3.157,64 3,65 3,66 33.439,67 4.256,68 35.754,69 2,70 6.3}
{0 CHEMBL119385,4 2,5 6,6 6,8 29.92,9 4.28,10 4.28,11 7.28,12 4.28,14 4.021,15 32.22,16 8.1,18 13.577,19 19.503,20 0.079,21 0.018,24 5,25 16.409,26 0.025,28 0.826,29 8,30 8.211,31 5.899,32 12.073,33 12.073,34 12.073,35 19.248,36 17.88,37 12.496,38 1.041,39 1.025,44 7.045,45 7.045,46 21.577,47 4.62,48 6.62,49 4.62,50 19.118,51 110.113,52 0.817,56 3,57 3.773,58 0.222,59 15.097,60 3.3,61 3.3,62 5.3,63 3.3,66 34.912,67 3.464,68 37.391,70 5}
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{0 CHEMBL1230122,4 1,5 3,6 3,8 34.147,9 4.091,10 4.091,11 7.091,12 4.091,14 4.008,16 8.7,18 13.226,19 18.408,20 0.071,21 0.021,24 3,25 15.991,26 -0.194,28 0.785,29 3,30 8.211,31 5.842,32 10.867,33 10.867,34 10.867,35 18.761,36 17.443,38 0.946,39 0.983,42 3,44 6.734,45 6.734,46 45.306,47 3.782,48 5.782,49 3.782,50 29.266,51 127.208,52 1.1,54 1,55 1,56 4,57 3.806,58 0.312,59 14.731,60 3.204,61 3.204,62 5.204,63 3.204,64 2,65 2,66 33.49,67 2.669,68 35.848,69 2,70 5.5}
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{0 CHEMBL1236126,4 2,5 5,6 7,7 1,8 2.144,9 4.595,10 4.595,11 7.595,12 4.595,14 4.134,16 7.1,17 143.629,18 14.101,19 18.499,20 0.086,21 0.032,22 1.153,23 1,24 2,25 17.056,26 -0.03,28 1.553,29 9,30 7.815,31 5.709,32 11.371,33 11.371,34 11.371,35 20.033,36 18.569,38 1.13,39 0.913,40 4.844,41 7.034,44 7.058,45 7.058,46 29.433,47 4.017,48 6.017,49 4.017,50 24.987,51 156.867,52 1.347,53 2,54 4,56 4,57 4.008,58 0.527,59 15.636,60 3.296,61 3.296,62 5.296,63 3.296,64 1,65 1,66 34.612,67 3.297,68 37.025,69 2,70 5.5}
{0 CHEMBL1240703,2 2,4 4,5 11,6 13,8 32.119,9 5.289,10 5.289,11 8.289,12 5.289,14 4.368,16 5.4,17 439.111,18 15.397,19 24.424,20 0.07,21 0.027,22 6.983,23 6,25 18.63,26 -0.086,28 3.362,29 21,30 7.431,31 6.891,32 15.536,33 15.536,34 15.536,35 21.888,36 20.267,38 1.067,39 1.044,40 6.043,41 8.367,42 4,43 2,44 8.024,45 8.024,46 42.947,47 4.043,48 6.043,49 4.043,50 30.107,51 96.563,52 0.778,53 8,54 4,55 2,56 4,57 4.881,58 0.966,59 17.042,60 3.793,61 3.793,62 5.793,63 3.793,66 38.599,67 6.054,68 41.316,69 3,70 5}
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{0 CHEMBL124660,4 2,5 6,6 6,8 6.604,9 4.523,10 4.523,11 7.523,12 4.523,14 4.087,16 7.2,18 13.8,19 18.176,20 0.066,21 0.022,22 1.721,24 4,25 16.747,26 0.046,28 1.25,29 6,30 7.429,31 5.911,32 10.984,33 10.984,34 10.984,35 19.716,36 18.27,38 1.075,39 0.964,42 3,44 6.725,45 6.725,46 55.107,47 3.691,48 5.691,49 3.691,50 40.814,51 64.144,52 0.658,53 2,55 1,56 6,57 4.214,58 0.448,59 15.361,60 3.185,61 3.185,62 5.185,63 3.185,64 2,65 2,66 33.664,67 3.332,68 36.034,69 2,70 5}
{0 CHEMBL127898,4 2,5 4,6 8,8 2.757,9 4.093,10 4.093,11 7.093,12 4.093,14 4.05,16 8.6,18 13.575,19 18.808,20 0.087,21 0.024,24 1,25 16.311,26 0.001,28 1.476,29 3,30 8.516,31 5.778,32 11.204,33 11.204,34 11.204,35 19.051,36 17.745,38 1.162,39 0.97,40 4.595,41 6.555,44 6.821,45 6.821,46 26.644,47 4.437,48 6.437,49 4.437,50 26.612,51 143.946,52 1.003,56 5,57 4.365,58 0.828,59 15.064,60 3.233,61 3.233,62 5.233,63 3.233,64 1,65 1,66 34.429,67 2.779,68 36.807,70 5.5}
{0 CHEMBL1287853,4 2,5 4,6 8,8 4.227,9 4.71,10 4.71,11 7.71,12 4.71,14 4.095,16 8.2,18 14.232,19 20.441,20 0.062,21 0.022,24 4,25 17.241,26 -0.006,28 1.08,29 9,30 7.717,31 5.733,32 12.764,33 12.764,34 12.764,35 20.277,36 18.78,38 1.074,39 0.964,40 4.443,41 6.26,42 2,44 7.355,45 7.355,46 60.338,47 4.691,48 6.691,49 4.691,50 38.907,51 88.167,52 0.609,54 3,55 1,56 6,57 4.197,58 0.432,59 15.788,60 3.462,61 3.462,62 5.462,63 3.462,64 2,65 2,66 35.684,67 3.545,68 38.221,69 8,70 6}
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{0 CHEMBL1336,4 2,5 5,6 7,8 4.276,9 4.049,10 4.049,11 7.049,12 4.049,14 3.988,16 8.3,18 13.275,19 19.593,20 0.074,21 0.024,24 5,25 15.999,26 0.153,28 0.979,29 4,30 8.513,31 5.121,32 12.181,33 12.181,34 12.181,35 18.729,36 17.455,37 5.568,38 1.054,39 0.976,44 7.24,45 7.24,46 35.352,47 4.475,48 6.475,49 4.475,50 27.261,51 158.001,52 1.323,54 4,55 1,56 4,57 3.977,58 0.411,59 14.794,60 3.377,61 3.377,62 5.377,63 3.377,64 1,65 1,66 35.013,67 3.315,68 37.507,69 4,70 5.77}
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{0 CHEMBL1419458,4 1,5 1,6 5,8 7.413,9 4.386,10 4.386,11 7.386,12 4.386,14 4.056,16 22,18 13.627,19 19.471,20 0.069,21 0.021,25 16.51,26 -0.02,28 0.9,30 7.43,31 5.653,32 11.974,33 11.974,34 11.974,35 19.405,36 18.005,38 1.023,39 1.002,40 5.352,41 7.413,44 7.009,45 7.009,46 8.953,47 3.615,48 5.615,49 3.615,50 12.198,51 36.881,52 0.618,54 3,55 3,56 9,57 3.856,58 0.206,59 15.173,60 3.297,61 3.297,62 5.297,63 3.297,64 5,65 5,66 34.79,67 3.566,68 37.263,70 5.5}
{0 CHEMBL1421,4 1,5 3,6 3,8 6.014,9 4.012,10 4.012,11 7.012,12 4.012,14 3.993,15 31.278,16 11.9,18 13.348,19 16.37,20 0.071,21 0.026,24 2,25 16.092,26 -0.048,28 1.181,29 1,30 7.429,31 5.693,32 9.81,33 9.81,34 9.81,35 18.834,36 17.529,37 6.22,38 0.852,39 0.966,40 4.595,41 6.581,44 6.427,45 6.427,46 53.106,47 3.598,48 5.598,49 3.598,50 32.957,51 51.32,52 0.546,54 2,55 2,56 7,57 4.105,58 0.28,59 14.841,60 3.025,61 3.025,62 5.025,63 3.025,64 3,65 3,66 32.531,67 3.184,68 34.773,69 3,70 5.25}
{0 CHEMBL1461728,3 2.827,4 2,5 5,6 7,8 17.104,9 4.366,10 4.366,11 7.366,12 4.366,13 1,14 4.099,16 10.3,17 74.713,18 13.492,19 15.639,20 0.069,21 0.019,22 1.792,23 1,24 2,25 16.398,26 -0.093,28 0.351,29 6,30 8.201,31 5.041,32 9.289,33 9.289,34 9.289,35 19.307,36 17.9,38 0.979,39 1.04,40 4.595,41 6.581,44 6.202,45 6.202,46 11.354,47 3.577,48 5.577,49 3.577,50 9.147,51 39.805,52 0.335,53 2,54 1,55 1,56 3,57 3.046,58 0.103,59 15.046,60 2.963,61 2.963,62 4.963,63 2.963,64 1,65 1,66 31.588,67 3.019,68 33.787,69 5,70 5.5}
{0 CHEMBL1516890,2 1,4 1,5 2,6 4,8 13.915,9 4.611,10 4.611,11 7.611,12 4.611,14 4.153,16 8.8,17 141.07,18 14.03,19 18.184,20 0.076,21 0.028,22 2.272,23 2,24 1,25 17.042,26 -0.241,27 1,28 0.674,29 5,30 7.429,31 5.152,32 11.122,33 11.122,34 11.122,35 20.056,36 18.576,38 0.785,39 1.069,40 5.533,41 7.711,43 1,44 6.773,45 6.773,46 13.192,47 3.655,48 5.655,49 3.655,50 10.682,51 26.022,52 0.18,53 2,54 1,56 3,57 3.316,58 0.089,59 15.6,60 3.235,61 3.235,62 5.235,63 3.235,64 1,65 1,66 34.203,67 3.909,68 36.594,69 2,70 5.6}
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{0 CHEMBL162,2 2,4 3,5 10,6 8,8 20.348,9 5.285,10 5.285,11 8.285,12 5.285,14 4.366,16 6.6,17 304.128,18 15.361,19 24.331,20 0.069,21 0.027,22 8.778,23 6,25 18.606,26 -0.123,28 2.588,29 19,30 7.429,31 6.322,32 15.502,33 15.502,34 15.502,35 21.871,36 20.245,38 1.062,39 1.089,40 6.009,41 8.32,42 4,43 1,44 8.018,45 8.018,46 43.083,47 4.031,48 6.031,49 4.031,50 28.268,51 43.837,52 0.443,53 8,54 3,55 1,56 4,57 4.425,58 0.411,59 17.009,60 3.785,61 3.785,62 5.785,63 3.785,66 38.547,67 5.329,68 41.264,69 3,70 6.721}
{0 CHEMBL1624529,4 1,5 3,6 3,8 61.307,9 4.272,10 4.272,11 7.272,12 4.272,14 4.098,16 8.9,18 13.646,19 19.693,20 0.11,21 0.036,24 4,25 16.45,26 0.025,28 1.879,29 7,30 8.212,31 6.835,32 11.988,33 11.988,34 11.988,35 19.268,36 17.899,38 0.958,39 1.006,40 6.33,41 8.304,42 1,43 1,44 7.027,45 7.027,46 44.125,47 3.797,48 5.797,49 3.797,50 29.209,51 225.799,52 1.439,54 1,56 4,57 4.23,58 0.522,59 15.128,60 3.395,61 3.395,62 5.395,63 3.395,64 1,65 1,66 35.409,67 2.605,68 37.87,69 3,70 5.5}
{0 CHEMBL1682358,3 2.775,4 2,5 4,6 8,8 5.449,9 4.511,10 4.511,11 7.511,12 4.511,13 1,14 4.122,16 11.1,17 85.729,18 13.815,19 16.761,20 0.063,21 0.022,22 1.726,23 1,25 16.771,26 0.248,28 0.521,29 5,30 5.267,31 1.967,32 10.235,33 10.235,34 10.235,35 19.735,36 18.29,38 0.973,39 1.063,40 5.352,41 7.391,44 6.522,45 6.522,46 12.794,47 3.138,48 5.138,49 3.138,50 10.438,51 25.769,52 0.218,53 2,54 4,55 2,56 4,57 3.147,58 0.056,59 15.378,60 3.107,61 3.107,62 5.107,63 3.107,64 2,65 2,66 32.741,67 3.955,68 35.04,69 2,70 5.8}
{0 CHEMBL1682540,3 2.937,4 1,5 3,6 3,8 25.686,9 4.475,10 4.475,11 7.475,12 4.475,13 1,14 4.153,16 18.5,17 117.108,18 14.025,19 16.669,20 0.067,21 0.018,22 2.818,23 2,25 17.005,26 0.044,27 2,28 0.292,29 1,30 5.16,31 1.495,32 9.982,33 9.982,34 9.982,35 19.978,36 18.524,38 0.962,39 1.111,40 5.352,41 7.413,43 2,44 6.402,45 6.402,47 3.091,48 5.091,49 3.091,51 16.383,52 0.168,53 3,54 1,55 1,56 5,57 2.772,58 0.054,59 15.59,60 3.091,61 3.091,62 5.091,63 3.091,64 3,65 3,66 32.521,67 4.042,68 34.79,69 2,70 5.7}
{0 CHEMBL1682545,3 2.956,4 2,5 4,6 8,8 13.915,9 4.392,10 4.392,11 7.392,12 4.392,13 1,14 4.113,15 31.278,16 12.1,17 81.465,18 13.615,19 16.128,20 0.054,21 0.016,22 2.134,23 1,24 1,25 16.521,26 -0.13,27 1,28 0.348,29 4,30 5.104,31 1.644,32 9.639,33 9.639,34 9.639,35 19.429,36 18.023,38 1.053,39 1.08,40 5.283,41 7.273,43 1,44 6.306,45 6.306,46 17.5,47 3.043,48 5.043,49 3.043,50 9.487,51 17.113,52 0.121,53 2,54 3,56 4,57 3.18,58 0.056,59 15.173,60 3.027,61 3.027,62 5.027,63 3.027,64 2,65 2,66 31.976,67 3.946,68 34.209,69 5,70 5.5}
{0 CHEMBL1682546,3 2.962,4 2,5 4,6 8,8 13.915,9 4.392,10 4.392,11 7.392,12 4.392,13 1,14 4.112,15 31.278,16 11.1,17 88.391,18 13.611,19 16.12,20 0.059,21 0.017,22 2.144,23 1,25 16.515,26 -0.178,27 1,28 0.382,29 4,30 5.104,31 1.664,32 9.635,33 9.635,34 9.635,35 19.423,36 18.017,38 0.876,39 1.067,40 5.283,41 7.273,43 1,44 6.305,45 6.305,46 15.848,47 3.038,48 5.038,49 3.038,50 9.712,51 20.638,52 0.154,53 2,54 4,56 4,57 3.348,58 0.076,59 15.168,60 3.025,61 3.025,62 5.025,63 3.025,64 2,65 2,66 31.952,67 3.907,68 34.187,69 4,70 5.5}
{0 CHEMBL1682552,3 3.002,4 1,5 3,6 3,8 13.915,9 4.621,10 4.621,11 7.621,12 4.621,13 1,14 4.167,16 13.3,17 171.152,18 14.231,19 18.873,20 0.06,21 0.021,22 2.849,23 2,25 17.255,26 0.03,27 1,28 0.743,29 3,30 5.156,31 1.798,32 11.5,33 11.5,34 11.5,35 20.277,36 18.791,38 1.034,39 1.064,40 5.416,41 7.535,42 6,43 1,44 6.866,45 6.866,46 17.5,47 3.31,48 5.31,49 3.31,50 9.487,51 29.007,52 0.282,53 3,54 5,55 2,56 6,57 3.775,58 0.186,59 15.804,60 3.265,61 3.265,62 5.265,63 3.265,64 3,65 3,66 34.256,67 4.143,68 36.682,69 4,70 6.6}
{0 CHEMBL1682553,3 2.968,4 1,5 3,6 3,8 13.915,9 4.621,10 4.621,11 7.621,12 4.621,13 1,14 4.164,16 15.8,17 150.002,18 14.229,19 18.865,20 0.068,21 0.027,22 2.773,23 2,25 17.254,26 0.014,27 1,28 0.848,29 3,30 5.156,31 1.686,32 11.492,33 11.492,34 11.492,35 20.276,36 18.79,38 1.2,39 1.042,40 5.416,41 7.535,43 1,44 6.864,45 6.864,46 17.5,47 3.306,48 5.306,49 3.306,50 9.487,51 24.269,52 0.22,53 3,54 4,55 2,56 6,57 3.397,58 0.162,59 15.802,60 3.263,61 3.263,62 5.263,63 3.263,64 3,65 3,66 34.246,67 4.101,68 36.671,69 4,70 6.4}
{0 CHEMBL1682554,3 2.978,4 1,5 3,6 3,8 13.915,9 4.62,10 4.62,11 7.62,12 4.62,13 1,14 4.164,16 14.6,17 160.604,18 14.227,19 18.838,20 0.068,21 0.018,22 2.803,23 2,25 17.252,26 0.044,27 1,28 0.545,29 2,30 5.155,31 1.712,32 11.465,33 11.465,34 11.465,35 20.275,36 18.789,38 1.045,39 1.044,40 5.416,41 7.535,43 1,44 6.859,45 6.859,46 12.5,47 3.295,48 5.295,49 3.295,50 7.906,51 24.934,52 0.234,53 3,54 5,55 2,56 6,57 3.559,58 0.151,59 15.801,60 3.257,61 3.257,62 5.257,63 3.257,64 3,65 3,66 34.214,67 4.109,68 36.637,69 3,70 7}
{0 CHEMBL1682558,3 2.995,4 2,5 5,6 7,8 19.861,9 4.444,10 4.444,11 7.444,12 4.444,13 1,14 4.144,16 9.8,17 109.726,18 13.942,19 18.858,20 0.068,21 0.019,22 2.046,23 1,24 1,25 16.877,26 -0.099,28 0.781,29 8,30 8.201,31 5.445,32 11.635,33 11.635,34 11.635,35 19.812,36 18.379,38 1.014,39 1.04,40 5.352,41 7.413,44 6.911,45 6.911,46 13.238,47 3.274,48 5.274,49 3.274,50 13.2,51 35.278,52 0.295,53 2,54 1,55 1,56 5,57 4.032,58 0.258,59 15.489,60 3.248,61 3.248,62 5.248,63 3.248,64 2,65 2,66 34.402,67 3.733,68 36.843,69 2,70 5.5}
{0 CHEMBL1721885,2 1,3 3.144,4 1,5 3,6 3,8 20.474,9 4.332,10 4.332,11 7.332,12 4.332,13 1,14 4.086,16 6.8,17 145.076,18 13.711,19 18.421,20 0.076,21 0.023,23 1,24 2,25 16.593,26 -0.01,28 1.022,29 5,30 8.201,31 5.816,32 11.258,33 11.258,34 11.258,35 19.481,36 18.064,38 0.906,39 0.959,40 5.533,41 7.703,44 6.845,45 6.845,46 32.432,47 3.668,48 5.668,49 3.668,50 27.43,51 78.284,52 0.645,54 3,55 1,56 4,57 4.002,58 0.43,59 15.212,60 3.256,61 3.256,62 5.256,63 3.256,66 34.397,67 2.828,68 36.8,69 8,70 7.036}
{0 CHEMBL17370,3 3.425,4 2,5 4,6 8,8 17.717,9 4.3,10 4.3,11 7.3,12 4.3,13 1,14 4.088,15 32.22,16 7.1,18 13.49,19 18.235,20 0.072,21 0.031,24 2,25 16.333,26 -0.135,28 1.14,29 14,30 8.201,31 5.329,32 11.08,33 11.08,34 11.08,35 19.186,36 17.83,38 0.914,39 1.039,40 4.727,41 6.862,44 6.747,45 6.747,46 2.018,47 4.327,48 6.327,49 4.327,50 3.956,51 28.229,52 0.17,54 4,56 3,57 3.832,58 0.326,59 15.052,60 3.203,61 3.203,62 5.203,63 3.203,64 2,65 2,66 33.725,67 3.348,68 36.114,69 2,70 5.5}
{0 CHEMBL178737,2 1,4 1,5 3,6 3,8 32.719,9 4.749,10 4.749,11 7.749,12 4.749,14 4.211,16 9.8,17 237.546,18 14.643,19 20.512,20 0.069,21 0.022,22 2.553,23 2,25 17.695,26 -0.032,27 2,28 1.56,29 6,30 7.45,31 6.216,32 12.69,33 12.69,34 12.69,35 20.755,36 19.242,38 0.989,39 1.066,40 5.938,41 8.138,43 2,44 7.195,45 7.195,46 28.026,47 3.839,48 5.839,49 3.839,50 24.126,51 97.655,52 0.77,53 3,54 1,56 6,57 4.349,58 0.432,59 16.214,60 3.432,61 3.432,62 5.432,63 3.432,64 1,65 1,66 35.857,67 4.497,68 38.366,69 2,70 5.5}
{0 CHEMBL1789941,2 1,3 3.103,8 23.542,9 4.516,10 4.516,11 7.516,12 4.516,13 1,14 4.127,16 14.6,17 89.897,18 13.744,19 18.123,20 0.074,21 0.02,22 1.817,23 1,25 16.718,26 0.088,27 2,28 0.647,29 2,30 6.818,31 3.18,32 10.904,33 10.904,34 10.904,35 19.698,36 18.234,38 0.954,39 1.004,40 5.638,41 7.609,42 4,43 2,44 6.708,45 6.708,46 4.471,47 4.046,48 6.046,49 4.046,50 6.822,51 35.496,52 0.319,53 2,54 1,56 6,57 3.14,58 0.136,59 15.294,60 3.169,61 3.169,62 5.169,63 3.169,64 3,65 3,66 33.782,67 3.068,68 36.144,69 2,70 6}
{0 CHEMBL180022,4 2,5 7,6 5,9 4.576,10 4.576,11 7.576,12 4.576,14 4.107,16 8.7,18 14.032,19 18.277,20 0.069,21 0.024,22 1.217,24 6,25 16.981,26 0.017,28 1.528,29 9,30 7.43,31 5.613,32 11.049,33 11.049,34 11.049,35 19.951,36 18.508,37 6.517,38 0.889,39 0.969,44 6.741,45 6.741,46 48.297,47 4.073,48 6.073,49 4.073,50 36.005,51 68.673,52 0.594,53 2,54 2,55 2,56 6,57 4.498,58 0.639,59 15.601,60 3.204,61 3.204,62 5.204,63 3.204,64 2,65 2,66 33.749,67 4.651,68 36.124,69 6,70 5}
{0 CHEMBL1825138,4 1,5 4,6 2,8 29.059,9 4.165,10 4.165,11 7.165,12 4.165,14 4.05,16 9.6,18 13.581,19 18.081,20 0.09,21 0.026,24 4,25 16.392,26 -0.124,27 1,28 1.039,29 5,30 8.201,31 5.882,32 10.939,33 10.939,34 10.939,35 19.203,36 17.846,37 12.314,38 0.946,39 0.991,40 4.595,41 6.605,42 3,43 1,44 6.78,45 6.78,46 28.517,47 3.623,48 5.623,49 3.623,50 23.489,51 68.091,52 0.761,54 1,55 2,56 5,57 4.129,58 0.396,59 15.081,60 3.167,61 3.167,62 5.167,63 3.167,64 2,65 2,66 33.727,67 3.154,68 36.084,69 2,70 5.45}
{0 CHEMBL183844,4 3,5 8,6 10,8 4.276,9 4.243,10 4.243,11 7.243,12 4.243,14 4.072,16 6.1,17 122.249,18 13.503,19 18.555,20 0.076,21 0.027,23 1,24 2,25 16.318,26 -0.018,28 0.959,29 8,30 7.432,31 5.322,32 11.18,33 11.18,34 11.18,35 19.139,36 17.793,38 0.911,39 1.023,40 4.727,41 6.823,44 6.795,45 6.795,46 31.302,47 3.65,48 5.65,49 3.65,50 22.487,51 40.179,52 0.189,54 10,56 3,57 3.571,58 0.286,59 15.033,60 3.207,61 3.207,62 5.207,63 3.207,66 33.869,67 3.388,68 36.263,69 6,70 5.5}
{0 CHEMBL184847,4 3,5 8,6 10,8 4.276,9 4.224,10 4.224,11 7.224,12 4.224,14 4.066,16 6.1,17 124.748,18 13.489,19 18.516,20 0.081,21 0.027,23 1,24 2,25 16.296,26 -0.008,28 0.903,29 6,30 7.432,31 5.254,32 11.163,33 11.163,34 11.163,35 19.11,36 17.769,38 0.909,39 1.023,40 4.727,41 6.823,44 6.792,45 6.792,46 32.701,47 3.65,48 5.65,49 3.65,50 22.751,51 40.04,52 0.153,54 10,56 3,57 3.469,58 0.29,59 15.017,60 3.198,61 3.198,62 5.198,63 3.198,66 33.827,67 3.44,68 36.223,69 6,70 7.2}
{0 CHEMBL185569,4 3,5 7,6 11,8 4.276,9 4.224,10 4.224,11 7.224,12 4.224,14 4.065,16 6.5,17 117.778,18 13.361,19 18.516,20 0.069,21 0.026,23 1,24 2,25 16.167,26 0.061,28 0.847,29 6,30 7.432,31 5.17,32 11.163,33 11.163,34 11.163,35 18.982,36 17.649,38 0.916,39 1.03,40 4.727,41 6.823,44 6.792,45 6.792,46 32.092,47 3.65,48 5.65,49 3.65,50 21.893,51 39.192,52 0.158,54 10,56 3,57 3.386,58 0.24,59 14.903,60 3.198,61 3.198,62 5.198,63 3.198,66 33.814,67 3.417,68 36.213,69 6,70 5.5}
{0 CHEMBL1908391,4 2,5 5,6 7,8 11.771,9 3.988,10 3.988,11 6.988,12 3.988,14 4.027,15 31.278,16 9.1,18 13.328,19 15.614,20 0.065,21 0.019,24 2,25 16.052,26 0.015,27 1,28 0.934,29 8,30 7.429,31 5.903,32 9.294,33 9.294,34 9.294,35 18.772,36 17.51,38 1.152,39 1.011,40 4.595,41 6.581,43 1,44 6.199,45 6.199,46 48.345,47 3.573,48 5.573,49 3.573,50 30.255,51 55.382,52 0.369,54 5,55 1,56 6,57 3.976,58 0.349,59 14.86,60 2.973,61 2.973,62 4.973,63 2.973,64 2,65 2,66 31.937,67 4.188,68 34.122,69 6,70 5}
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{0 CHEMBL1908397,3 3.053,4 2,5 4,6 8,8 2.757,9 4.486,10 4.486,11 7.486,12 4.486,13 1,14 4.111,16 8.9,17 109.851,18 13.707,19 17.009,20 0.076,21 0.019,22 2.059,23 1,25 16.664,26 0.006,28 0.486,29 7,30 7.428,31 5.469,32 10.265,33 10.265,34 10.265,35 19.627,36 18.183,38 1.105,39 1.03,40 4.727,41 6.823,44 6.526,45 6.526,46 13.198,47 3.693,48 5.693,49 3.693,50 10.372,51 46.309,52 0.264,53 2,54 3,56 4,57 3.334,58 0.108,59 15.272,60 3.063,61 3.063,62 5.063,63 3.063,64 1,65 1,66 32.971,67 3.813,68 35.274,69 2,70 6.523}
{0 CHEMBL1958401,8 1.899,9 3.85,10 3.85,11 6.85,12 3.85,14 3.968,16 10.5,18 12.22,19 15.602,20 0.038,21 0.02,25 14.899,26 0.198,28 0.486,30 7.43,31 4.775,32 9.332,33 9.332,34 9.332,35 17.58,36 16.362,38 0.993,39 0.981,42 6,44 6.203,45 6.203,46 21.147,47 3.549,48 5.549,49 3.549,50 14.183,51 34.545,52 0.276,54 6,55 2,56 4,57 3.167,58 0.029,59 13.768,60 2.952,61 2.952,62 4.952,63 2.952,64 1,65 1,66 31.346,67 1.715,68 33.556,69 3,70 7.1}
{0 CHEMBL196363,4 2,5 4,6 8,8 18.375,9 4.626,10 4.626,11 7.626,12 4.626,14 4.093,15 31.278,16 11.4,17 118.128,18 13.979,19 18.662,20 0.063,21 0.023,22 1.72,23 1,24 2,25 16.981,26 0.051,27 1,28 0.722,29 2,30 7.431,31 5.173,32 11.489,33 11.489,34 11.489,35 20,36 18.526,38 0.9,39 1.041,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 24.218,47 3.563,48 5.563,49 3.563,50 17.311,51 29.647,52 0.192,53 2,54 9,56 5,57 3.435,58 0.193,59 15.563,60 3.229,61 3.229,62 5.229,63 3.229,64 2,65 2,66 34.194,67 4.106,68 36.628,69 5,70 5.5}
{0 CHEMBL1964288,3 3.094,4 3,5 5,6 13,8 25.686,9 4.571,10 4.571,11 7.571,12 4.571,13 1,14 4.154,16 15.1,17 136.023,18 14.071,19 18.187,20 0.05,21 0.015,22 1.903,23 1,25 17.013,26 0.11,27 2,28 0.712,29 1,30 5.185,31 1.5,32 10.998,33 10.998,34 10.998,35 19.973,36 18.534,38 0.878,39 1.066,40 5.733,41 7.774,43 2,44 6.731,45 6.731,46 27.115,47 3.204,48 5.204,49 3.204,50 16.763,51 34.809,52 0.312,53 2,54 1,55 2,56 8,57 3.87,58 0.231,59 15.638,60 3.197,61 3.197,62 5.197,63 3.197,64 5,65 5,66 33.677,67 5.876,68 36.05,69 2,70 7.8}
{0 CHEMBL1964290,2 1,3 3.244,4 1,5 3,6 3,8 7.413,9 4.333,10 4.333,11 7.333,12 4.333,13 1,14 4.088,16 12.5,18 13.607,19 18.726,20 0.086,21 0.032,25 16.473,26 -0.228,28 1.042,29 6,30 7.437,31 4.848,32 11.287,33 11.287,34 11.287,35 19.344,36 17.953,38 0.985,39 1.015,40 4.727,41 6.862,44 6.831,45 6.831,46 6.931,47 3.561,48 5.561,49 3.561,50 9.269,51 30.328,52 0.2,54 5,56 5,57 3.483,58 0.193,59 15.132,60 3.239,61 3.239,62 5.239,63 3.239,64 2,65 2,66 34.014,67 3.072,68 36.416,69 4,70 7.1}
{0 CHEMBL1964340,1 1,2 1,3 3.163,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.128,15 39.149,16 11.1,17 77.748,18 13.761,19 18.107,20 0.057,21 0.019,22 1.914,23 1,25 16.752,26 0.03,27 1,28 0.472,29 3,30 5.102,31 2.012,32 10.927,33 10.927,34 10.927,35 19.746,36 18.283,37 6.123,38 0.978,39 1.001,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 15.439,47 3.201,48 5.201,49 3.201,50 10.973,51 19.257,52 0.216,53 2,54 6,55 1,56 4,57 3.462,58 0.105,59 15.334,60 3.166,61 3.166,62 5.166,63 3.166,64 2,65 2,66 33.502,67 3.208,68 35.882,69 3,70 7.2}
{0 CHEMBL1964413,3 2.794,4 2,5 6,6 6,8 13.915,9 4.392,10 4.392,11 7.392,12 4.392,13 1,14 4.123,16 12.5,17 126.658,18 13.975,19 19.924,20 0.086,21 0.041,22 1.625,23 1,25 16.854,26 0.238,27 1,28 1.642,29 1,30 8.518,31 5.286,32 12.363,33 12.363,34 12.363,35 19.739,36 18.331,38 0.962,39 1.038,40 5.283,41 7.273,43 1,44 7.278,45 7.278,46 21.746,47 4.489,48 6.489,49 4.489,50 15.723,51 227.826,52 1.554,53 2,54 1,55 2,56 5,57 3.702,58 0.288,59 15.491,60 3.43,61 3.43,62 5.43,63 3.43,64 3,65 3,66 35.566,67 4.127,68 38.054,69 2,70 5.5}
{0 CHEMBL1964444,4 1,5 3,6 3,8 6.604,9 4.463,10 4.463,11 7.463,12 4.463,14 4.081,16 10.5,18 13.717,19 18.669,20 0.074,21 0.026,22 1.426,24 1,25 16.651,26 0.169,28 0.819,29 2,30 8.513,31 5.108,32 11.69,33 11.69,34 11.69,35 19.596,36 18.166,38 0.983,39 1.003,44 7.116,45 7.116,46 25.872,47 4.46,48 6.46,49 4.46,50 18.603,51 87.392,52 0.687,53 2,54 6,56 4,57 3.576,58 0.23,59 15.277,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 34.585,67 3.342,68 37.024,69 3,70 6.1}
{0 CHEMBL1964644,4 1,5 1,6 5,8 4.276,9 4.018,10 4.018,11 7.018,12 4.018,14 3.954,15 31.278,16 13.8,18 12.768,19 14.506,20 0.06,21 0.021,25 15.495,26 0.081,28 0.361,30 7.815,31 4.539,32 8.6,33 8.6,34 8.6,35 18.229,36 16.93,38 0.974,39 0.954,40 4.595,41 6.581,44 6.005,45 6.005,46 24.954,47 3.783,48 5.783,49 3.783,50 16.902,51 65.936,52 0.524,54 4,55 2,56 4,57 3.194,58 0.067,59 14.258,60 2.867,61 2.867,62 4.867,63 2.867,64 1,65 1,66 30.233,67 2.03,68 32.355,69 2,70 5.5}
{0 CHEMBL1964687,4 2,5 6,6 6,8 7.962,9 4.724,10 4.724,11 7.724,12 4.724,14 4.142,15 31.278,16 9.8,17 175.597,18 14.252,19 19.834,20 0.053,21 0.026,22 1.863,23 2,24 2,25 17.277,26 0.152,28 1.021,29 3,30 7.431,31 5.495,32 12.368,33 12.368,34 12.368,35 20.323,36 18.825,38 0.881,39 1.058,40 4.844,41 7.081,42 2,44 7.107,45 7.107,46 33.935,47 3.566,48 5.566,49 3.566,50 25.444,51 29.091,52 0.162,53 2,54 11,56 5,57 3.623,58 0.271,59 15.829,60 3.368,61 3.368,62 5.368,63 3.368,64 2,65 2,66 35.236,67 4.288,68 37.743,69 5,70 5.5}
{0 CHEMBL1964692,4 2,5 4,6 8,8 8.748,9 4.708,10 4.708,11 7.708,12 4.708,14 4.136,16 12.5,17 140.807,18 14.203,19 19.198,20 0.076,21 0.031,22 1.568,23 1,24 2,25 17.222,26 0.16,28 1.264,30 8.513,31 5.179,32 11.8,33 11.8,34 11.8,35 20.262,36 18.769,38 0.998,39 1.028,40 4.844,41 7.018,44 7.116,45 7.116,46 31.901,47 4.46,48 6.46,49 4.46,50 22.502,51 96.946,52 0.789,53 2,54 7,55 1,56 6,57 3.743,58 0.339,59 15.779,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 35.193,67 4.21,68 37.653,69 5,70 6.4}
{0 CHEMBL1964777,4 1,5 2,6 4,8 17.064,9 4.534,10 4.534,11 7.534,12 4.534,14 4.078,15 31.278,16 6.9,17 73.992,18 13.744,19 17.433,20 0.065,21 0.02,22 1.51,23 1,24 3,25 16.725,26 0.06,28 0.434,29 3,30 8.201,31 5.139,32 10.526,33 10.526,34 10.526,35 19.717,36 18.255,38 1.022,39 1.027,40 4.727,41 6.862,44 6.586,45 6.586,46 12.031,47 3.522,48 5.522,49 3.522,50 10.922,51 47.471,52 0.458,53 2,54 1,56 2,57 3.243,58 0.138,59 15.313,60 3.138,61 3.138,62 5.138,63 3.138,64 1,65 1,66 32.988,67 3.234,68 35.328,70 6.1}
{0 CHEMBL1964804,4 1,5 3,6 3,9 4.423,10 4.423,11 7.423,12 4.423,14 4.094,16 7.3,18 14.112,19 16.411,20 0.062,21 0.021,22 2.18,24 1,25 17.057,26 -0.317,28 0.535,29 2,30 7.718,31 4.005,32 9.951,33 9.951,34 9.951,35 20.002,36 18.56,38 0.891,39 0.993,44 6.394,45 6.394,46 6.587,47 4.306,48 6.306,49 4.306,50 6.915,51 44.006,52 0.293,53 2,56 3,57 3.552,58 0.201,59 15.65,60 3.098,61 3.098,62 5.098,63 3.098,64 2,65 2,66 32.732,67 3.589,68 35.002,70 5.5}
{0 CHEMBL1964937,2 1,3 3.199,4 1,5 1,6 5,8 16.047,9 4.518,10 4.518,11 7.518,12 4.518,13 1,14 4.125,16 8.2,17 120.633,18 13.699,19 18.019,20 0.081,21 0.024,22 1.98,23 1,25 16.673,26 0.025,27 1,28 0.82,29 2,30 7.429,31 5.605,32 10.888,33 10.888,34 10.888,35 19.658,36 18.202,38 0.972,39 0.987,40 4.727,41 6.843,42 1,43 1,44 6.707,45 6.707,46 17.412,47 3.706,48 5.706,49 3.706,50 14.444,51 51.19,52 0.284,53 2,54 9,56 4,57 3.555,58 0.226,59 15.271,60 3.155,61 3.155,62 5.155,63 3.155,64 1,65 1,66 33.554,67 3.173,68 35.915,69 3,70 5.5}
{0 CHEMBL1965131,4 2,5 6,6 6,8 2.104,9 4.716,10 4.716,11 7.716,12 4.716,14 4.104,15 31.278,16 5.6,17 96.7,18 14.132,19 19.386,20 0.094,21 0.037,22 1.237,23 1,24 3,25 17.173,26 0.096,28 1.236,29 4,30 7.438,31 5.503,32 11.963,33 11.963,34 11.963,35 20.234,36 18.724,37 12.334,38 0.842,39 1.013,40 4.844,41 7.066,44 7.014,45 7.014,46 17.631,47 3.662,48 5.662,49 3.662,50 14.937,51 47.151,52 0.439,53 2,54 5,56 2,57 3.923,58 0.227,59 15.706,60 3.328,61 3.328,62 5.328,63 3.328,66 34.771,67 3.15,68 37.243,69 2,70 6.7}
{0 CHEMBL1965423,4 2,5 5,6 7,8 43.403,9 4.71,10 4.71,11 7.71,12 4.71,14 4.199,15 31.278,16 10.2,17 101.724,18 14.558,19 19.428,20 0.073,21 0.023,22 2.778,23 1,24 1,25 17.61,26 -0.041,27 2,28 1.126,29 15,30 8.201,31 5.451,32 12.074,33 12.074,34 12.074,35 20.667,36 19.16,38 1.174,39 1.058,40 5.861,41 8.003,43 2,44 7.025,45 7.025,46 4.198,47 3.349,48 5.349,49 3.349,50 7.489,51 41.52,52 0.347,53 3,54 3,55 1,56 5,57 4.043,58 0.429,59 16.137,60 3.34,61 3.34,62 5.34,63 3.34,64 2,65 2,66 35.115,67 4.926,68 37.582,70 5.5}
{0 CHEMBL1965507,4 2,5 4,6 8,8 18.375,9 4.613,10 4.613,11 7.613,12 4.613,14 4.07,15 31.278,16 12.5,17 140.252,18 13.972,19 18.549,20 0.063,21 0.02,22 1.206,23 1,24 3,25 16.96,26 0.067,27 1,28 0.694,29 4,30 7.432,31 5.639,32 11.41,33 11.41,34 11.41,35 19.969,36 18.5,38 0.808,39 1.027,40 4.727,41 6.862,43 1,44 6.87,45 6.87,46 34.91,47 3.621,48 5.621,49 3.621,50 24.83,51 41.671,52 0.375,53 2,54 8,55 2,56 6,57 3.737,58 0.264,59 15.55,60 3.22,61 3.22,62 5.22,63 3.22,64 2,65 2,66 34.098,67 4.014,68 36.525,69 8,70 5.4}
{0 CHEMBL1965570,4 2,5 4,6 8,8 57.623,9 4.724,10 4.724,11 7.724,12 4.724,14 4.135,15 31.278,16 8.2,17 136.998,18 14.255,19 19.529,20 0.074,21 0.022,22 1.909,23 1,24 3,25 17.274,26 -0.078,27 3,28 1.032,29 6,30 8.201,31 5.715,32 11.976,33 11.976,34 11.976,35 20.315,36 18.822,38 1.051,39 1.063,40 5.283,41 7.322,43 3,44 7.012,45 7.012,46 18.707,47 3.574,48 5.574,49 3.574,50 14.841,51 43.726,52 0.373,53 2,54 8,55 1,56 4,57 3.798,58 0.189,59 15.833,60 3.313,61 3.313,62 5.313,63 3.313,64 1,65 1,66 34.82,67 4.972,68 37.287,69 4,70 6.6}
{0 CHEMBL1965589,4 1,5 3,6 3,8 46.347,9 4.727,10 4.727,11 7.727,12 4.727,14 4.162,16 12.5,17 116.951,18 14.271,19 19.882,20 0.086,21 0.026,22 0.548,23 1,24 2,25 17.291,26 -0.172,27 1,28 1.331,29 2,30 8.211,31 6.621,32 12.286,33 12.286,34 12.286,35 20.334,36 18.837,38 0.947,39 0.997,40 6.138,41 8.102,42 2,43 1,44 7.084,45 7.084,46 17.95,47 3.592,48 5.592,49 3.592,50 15.053,51 100.026,52 0.837,53 1,54 1,56 6,57 4.113,58 0.425,59 15.844,60 3.394,61 3.394,62 5.394,63 3.394,64 4,65 4,66 35.73,67 4.335,68 38.225,69 2,70 5.5}
{0 CHEMBL1965631,3 2.893,4 2,5 4,6 8,8 11.771,9 4.521,10 4.521,11 7.521,12 4.521,13 1,14 4.128,16 14.3,17 118.071,18 13.846,19 17.213,20 0.057,21 0.023,22 1.614,23 1,25 16.798,26 0.233,27 1,28 0.82,29 1,30 7.429,31 5.07,32 10.467,33 10.467,34 10.467,35 19.763,36 18.317,38 0.912,39 1.007,40 5.352,41 7.402,43 1,44 6.573,45 6.573,46 26.806,47 3.625,48 5.625,49 3.625,50 18.24,51 41.203,52 0.345,53 2,54 4,55 4,56 7,57 3.711,58 0.159,59 15.406,60 3.131,61 3.131,62 5.131,63 3.131,64 3,65 3,66 33.025,67 4.041,68 35.348,69 2,70 5.9}
{0 CHEMBL1965660,2 1,3 3.109,4 1,5 3,6 3,8 7.413,9 4.314,10 4.314,11 7.314,12 4.314,13 1,14 4.078,16 14.7,18 13.547,19 18.456,20 0.08,21 0.035,24 2,25 16.402,26 -0.168,28 1.122,29 4,30 7.437,31 4.761,32 11.181,33 11.181,34 11.181,35 19.263,36 17.88,37 12.127,38 0.986,39 1.024,40 4.727,41 6.862,44 6.794,45 6.794,46 6.774,47 3.565,48 5.565,49 3.565,50 9.189,51 43.882,52 0.461,54 5,56 5,57 3.713,58 0.217,59 15.072,60 3.223,61 3.223,62 5.223,63 3.223,64 2,65 2,66 33.866,67 3.063,68 36.262,69 4,70 7.6}
{0 CHEMBL1965702,1 1,2 1,3 3.185,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.125,15 39.149,16 12.2,17 99.94,18 13.776,19 18.11,20 0.06,21 0.02,22 1.867,23 1,25 16.759,26 0.03,27 1,28 0.688,29 2,30 5.139,31 2.179,32 10.928,33 10.928,34 10.928,35 19.75,36 18.287,37 6.29,38 0.879,39 0.994,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 31.692,47 3.206,48 5.206,49 3.206,50 17.604,51 36.227,52 0.386,53 2,54 6,55 1,56 6,57 3.823,58 0.268,59 15.344,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.536,67 3.209,68 35.91,69 4,70 7}
{0 CHEMBL1965836,3 2.966,4 2,5 5,6 7,8 2.757,9 4.51,10 4.51,11 7.51,12 4.51,13 1,14 4.124,16 7.5,17 142.383,18 13.873,19 16.757,20 0.062,21 0.026,22 1.926,23 1,24 2,25 16.806,26 0.059,28 1.073,29 3,30 8.516,31 4.402,32 10.231,33 10.231,34 10.231,35 19.755,36 18.323,38 1.096,39 0.997,40 4.727,41 6.804,44 6.522,45 6.522,46 16.1,47 4.437,48 6.437,49 4.437,50 16.206,51 54.716,52 0.683,53 2,54 4,55 1,56 4,57 3.814,58 0.251,59 15.434,60 3.142,61 3.142,62 5.142,63 3.142,64 2,65 2,66 33.324,67 4.188,68 35.632,69 3,70 7.4}
{0 CHEMBL1965845,2 1,3 3.218,4 1,5 2,6 4,8 16.047,9 4.518,10 4.518,11 7.518,12 4.518,13 1,14 4.126,16 7.7,17 126.423,18 13.758,19 18.019,20 0.083,21 0.027,22 2.018,23 1,24 1,25 16.719,26 0.051,27 1,28 0.91,29 3,30 7.429,31 5.68,32 10.888,33 10.888,34 10.888,35 19.694,36 18.241,38 1.046,39 0.996,40 4.727,41 6.843,42 1,43 1,44 6.707,45 6.707,46 23.993,47 3.703,48 5.703,49 3.703,50 19.002,51 47.816,52 0.273,53 2,54 6,56 4,57 3.604,58 0.255,59 15.319,60 3.155,61 3.155,62 5.155,63 3.155,64 1,65 1,66 33.53,67 3.274,68 35.894,69 4,70 6.9}
{0 CHEMBL1965988,4 2,5 4,6 8,8 53.182,9 4.712,10 4.712,11 7.712,12 4.712,14 4.117,15 31.278,16 9.6,17 137.754,18 14.152,19 19.202,20 0.066,21 0.026,22 1.87,23 1,24 2,25 17.184,26 -0.084,27 1,28 1.059,29 6,30 7.431,31 5.283,32 11.822,33 11.822,34 11.822,35 20.237,36 18.742,38 0.971,39 1.033,40 4.727,41 6.88,43 1,44 6.972,45 6.972,46 27.362,47 3.563,48 5.563,49 3.563,50 22.195,51 29.506,52 0.122,53 2,54 11,56 5,57 3.744,58 0.25,59 15.746,60 3.285,61 3.285,62 5.285,63 3.285,64 1,65 1,66 34.6,67 4.623,68 37.061,69 6,70 6}
{0 CHEMBL1966035,4 1,5 1,6 5,9 4.227,10 4.227,11 7.227,12 4.227,14 3.999,16 8.1,18 13.199,19 19.657,20 0.079,21 0.032,24 1,25 16.038,26 0.046,28 0.91,29 1,30 6.539,31 3.826,32 11.657,33 11.657,34 11.657,35 18.878,36 17.527,38 1.007,39 0.932,44 6.957,45 6.957,46 24.622,47 3.616,48 5.616,49 3.616,50 16.158,51 38.435,52 0.281,55 1,56 3,57 3.43,58 0.164,59 14.755,60 3.307,61 3.307,62 5.307,63 3.307,64 1,65 1,66 34.403,67 3.464,68 36.846,70 5.5}
{0 CHEMBL1966040,2 1,3 3.086,4 1,5 2,6 4,7 1,8 14.099,9 4.531,10 4.531,11 7.531,12 4.531,13 1,14 4.124,16 12.2,17 107.712,18 13.897,19 18.846,20 0.072,21 0.02,22 1.685,23 1,25 16.85,26 -0.005,27 1,28 0.663,29 3,30 8.513,31 4.82,32 11.689,33 11.689,34 11.689,35 19.813,36 18.372,38 0.896,39 1.045,40 4.727,41 6.843,43 1,44 7.116,45 7.116,46 21.473,47 4.46,48 6.46,49 4.46,50 14.167,51 81.685,52 0.694,53 2,54 5,55 1,56 5,57 3.518,58 0.206,59 15.465,60 3.319,61 3.319,62 5.319,63 3.319,64 3,65 3,66 34.748,67 4.272,68 37.185,69 4,70 5.9}
{0 CHEMBL1966087,9 3.73,10 3.73,11 6.73,12 3.73,14 3.965,16 8.1,18 12.114,19 13.763,20 0.032,21 0.014,24 1,25 14.754,26 -0.176,28 0.292,29 3,30 4.978,31 2.399,32 8.024,33 8.024,34 8.024,35 17.38,36 16.287,38 1.037,39 0.986,40 4.443,41 6.26,42 2,44 5.689,45 5.689,46 15.849,47 3.094,48 5.094,49 3.094,50 11.026,51 21.276,52 0.147,56 3,57 3.118,58 0.084,59 13.767,60 2.766,61 2.766,62 4.766,63 2.766,64 2,65 2,66 29.421,67 2.777,68 31.454,69 1,70 5.5}
{0 CHEMBL1966204,3 2.845,4 3,5 6,6 12,8 26.731,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.131,16 12.5,17 130.562,18 13.969,19 17.286,20 0.068,21 0.024,22 1.445,23 1,24 1,25 16.895,26 0.224,27 1,28 1.004,29 4,30 8.201,31 5.492,32 10.481,33 10.481,34 10.481,35 19.837,36 18.409,38 0.899,39 1.053,40 5.352,41 7.402,43 1,44 6.577,45 6.577,46 24.912,47 3.581,48 5.581,49 3.581,50 17.529,51 55.541,52 0.494,53 2,54 7,55 4,56 6,57 3.829,58 0.25,59 15.529,60 3.136,61 3.136,62 5.136,63 3.136,64 3,65 3,66 33.093,67 4.903,68 35.409,69 3,70 7.6}
{0 CHEMBL1966279,4 3,5 6,6 12,7 1,9 4.703,10 4.703,11 7.703,12 4.703,14 4.095,16 8.8,18 14.348,19 19.798,20 0.09,21 0.027,24 2,25 17.351,26 -0.068,28 1.333,29 17,30 7.717,31 5.726,32 12.431,33 12.431,34 12.431,35 20.372,36 18.882,38 1.093,39 1.013,44 7.297,45 7.297,46 18.535,47 4.684,48 6.684,49 4.684,50 19.367,51 105.396,52 0.673,54 8,56 5,57 3.882,58 0.39,59 15.9,60 3.382,61 3.382,62 5.382,63 3.382,66 35.491,67 3.857,68 37.988,69 6,70 5.5}
{0 CHEMBL1966343,3 2.877,4 1,5 3,6 3,8 9.921,9 4.511,10 4.511,11 7.511,12 4.511,13 1,14 4.124,16 11.4,17 71.905,18 13.764,19 16.761,20 0.074,21 0.033,22 1.822,23 1,25 16.734,26 0.109,28 0.625,29 3,30 5.27,31 1.896,32 10.234,33 10.234,34 10.234,35 19.71,36 18.247,38 1.019,39 0.999,40 5.352,41 7.391,44 6.522,45 6.522,46 3.971,47 3.131,48 5.131,49 3.131,50 6.8,51 30.77,52 0.254,53 2,54 3,55 2,56 4,57 2.932,58 0.101,59 15.311,60 3.107,61 3.107,62 5.107,63 3.107,64 2,65 2,66 32.731,67 2.927,68 35.032,69 3,70 5.7}
{0 CHEMBL1966425,4 3,5 8,6 10,8 4.836,9 4.403,10 4.403,11 7.403,12 4.403,14 4.103,16 6.8,17 288.95,18 13.992,19 18.644,20 0.06,21 0.024,22 1.554,23 2,24 2,25 16.915,26 -0.095,28 1.084,29 6,30 7.429,31 5.351,32 11.269,33 11.269,34 11.269,35 19.84,36 18.418,38 0.905,39 1.017,40 5.416,41 7.516,44 6.813,45 6.813,46 40.91,47 3.659,48 5.659,49 3.659,50 27.559,51 45.255,52 0.384,53 2,54 5,56 4,57 3.89,58 0.303,59 15.542,60 3.23,61 3.23,62 5.23,63 3.23,64 1,65 1,66 34.023,67 4.399,68 36.421,69 4,70 5.5}
{0 CHEMBL1966514,4 2,5 4,6 8,8 57.623,9 4.724,10 4.724,11 7.724,12 4.724,14 4.135,15 31.278,16 8.2,17 137.76,18 14.23,19 19.529,20 0.065,21 0.025,22 1.92,23 1,24 3,25 17.252,26 -0.032,27 3,28 1.143,29 6,30 8.201,31 5.279,32 11.976,33 11.976,34 11.976,35 20.298,36 18.803,38 1.044,39 1.063,40 5.283,41 7.322,43 3,44 7.012,45 7.012,46 22.779,47 3.563,48 5.563,49 3.563,50 16.513,51 35.359,52 0.364,53 2,54 9,55 1,56 4,57 3.767,58 0.226,59 15.812,60 3.313,61 3.313,62 5.313,63 3.313,64 1,65 1,66 34.811,67 4.943,68 37.28,69 5,70 5.5}
{0 CHEMBL1966628,2 1,3 3.187,7 1,8 13.67,9 4.531,10 4.531,11 7.531,12 4.531,13 1,14 4.124,16 14,17 85.916,18 13.705,19 18.065,20 0.062,21 0.011,22 1.942,23 1,25 16.701,26 0.144,27 1,28 0.309,29 1,30 5.105,31 1.963,32 10.906,33 10.906,34 10.906,35 19.701,36 18.236,38 0.964,39 1.023,40 4.727,41 6.843,42 6,43 1,44 6.71,45 6.71,46 20,47 3.162,48 5.162,49 3.162,50 12.649,51 32.294,52 0.28,53 2,54 4,55 3,56 6,57 3.318,58 0.153,59 15.284,60 3.158,61 3.158,62 5.158,63 3.158,64 3,65 3,66 33.475,67 3.225,68 35.853,69 6,70 7.8}
{0 CHEMBL1966703,3 2.96,4 1,5 2,6 4,7 1,8 20.045,9 4.297,10 4.297,11 7.297,12 4.297,13 1,14 4.104,16 6.8,17 67.466,18 13.561,19 20.396,20 0.074,21 0.035,23 1,24 1,25 16.395,26 0.069,28 1.576,29 9,30 8.201,31 6.569,32 12.785,33 12.785,34 12.785,35 19.239,36 17.851,38 1.222,39 0.97,40 4.727,41 6.823,42 2,44 7.218,45 7.218,46 24.686,47 3.835,48 5.835,49 3.835,50 19.011,51 65.217,52 0.401,54 7,56 3,57 3.403,58 0.074,59 15.052,60 3.454,61 3.454,62 5.454,63 3.454,64 1,65 1,66 35.84,67 2.846,68 38.365,69 4,70 5.5}
{0 CHEMBL1966722,4 3,5 4,6 14,7 1,8 0.285,9 4.137,10 4.137,11 7.137,12 4.137,14 4.013,15 45.192,16 6.5,18 13.085,19 23.242,20 0.092,21 0.014,24 2,25 15.862,26 0.083,28 0.604,29 10,30 7.43,31 5.939,32 15.289,33 15.289,34 15.289,35 18.65,36 17.355,37 5.857,38 1.003,39 0.947,44 8.082,45 8.082,46 21.476,47 4.38,48 6.38,49 4.38,50 18.538,51 63.631,52 0.419,54 12,56 3,57 3.98,58 0.276,59 14.65,60 3.655,61 3.655,62 5.655,63 3.655,66 38.18,67 2.117,68 40.907,69 4,70 5.5}
{0 CHEMBL1966808,8 5.634,9 4.474,10 4.474,11 7.474,12 4.474,14 4.111,15 31.278,16 13.9,17 162.162,18 13.826,19 19.85,20 0.061,21 0.028,23 3,25 16.759,26 0.087,28 0.869,29 3,30 7.43,31 5.349,32 12.229,33 12.229,34 12.229,35 19.7,36 18.255,38 0.912,39 1.087,40 5.476,41 7.67,42 4,44 7.067,45 7.067,46 20.315,47 3.74,48 5.74,49 3.74,50 15.889,51 24.736,52 0.291,54 2,56 5,57 3.462,58 0.079,59 15.354,60 3.381,61 3.381,62 5.381,63 3.381,64 3,65 3,66 35.111,67 3.047,68 37.6,69 2,70 6.3}
{0 CHEMBL1966816,4 1,5 3,6 3,8 21.564,9 4.528,10 4.528,11 7.528,12 4.528,14 4.077,16 11.4,18 13.823,19 18.813,20 0.08,21 0.027,22 0.423,24 2,25 16.787,26 0.269,28 0.799,29 1,30 8.513,31 5.699,32 11.69,33 11.69,34 11.69,35 19.763,36 18.312,38 0.972,39 1.011,44 7.116,45 7.116,46 25.064,47 4.46,48 6.46,49 4.46,50 17.805,51 125.483,52 0.907,53 2,54 5,56 4,57 3.599,58 0.23,59 15.388,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 34.687,67 3.369,68 37.123,69 3,70 7.4}
{0 CHEMBL1967094,3 3.055,4 2,5 3,6 9,7 1,8 4.115,9 4.611,10 4.611,11 7.611,12 4.611,13 1,14 4.13,15 31.278,16 7.7,18 13.935,19 18.236,20 0.074,21 0.025,22 1.795,24 1,25 16.933,26 -0.014,28 0.761,29 7,30 7.429,31 5.436,32 11.054,33 11.054,34 11.054,35 19.948,36 18.474,37 5.873,38 1.015,39 1.048,40 5.416,41 7.526,44 6.746,45 6.746,46 10.29,47 3.577,48 5.577,49 3.577,50 9.346,51 34.993,52 0.264,53 2,54 5,56 3,57 3.583,58 0.186,59 15.514,60 3.214,61 3.214,62 5.214,63 3.214,64 1,65 1,66 33.683,67 3.783,68 36.071,69 3,70 5.5}
{0 CHEMBL1967116,4 2,5 4,6 8,8 30.892,9 4.726,10 4.726,11 7.726,12 4.726,14 4.139,15 31.278,16 10.9,17 142.688,18 14.268,19 19.547,20 0.067,21 0.027,22 2.004,23 1,24 2,25 17.283,26 0.104,27 2,28 1.279,29 5,30 7.431,31 5.348,32 11.979,33 11.979,34 11.979,35 20.323,36 18.83,38 1.009,39 1.047,40 5.352,41 7.424,43 2,44 7.013,45 7.013,46 26.718,47 3.563,48 5.563,49 3.563,50 20.473,51 31.13,52 0.149,53 2,54 10,55 2,56 6,57 3.855,58 0.276,59 15.845,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.82,67 4.998,68 37.288,69 5,70 6.1}
{0 CHEMBL1967302,2 1,3 3.281,4 2,5 5,6 7,8 13.915,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.132,16 7.7,17 256.749,18 13.916,19 17.025,20 0.065,21 0.023,22 2.31,23 2,24 2,25 16.847,26 0.052,27 1,28 0.837,29 3,30 7.429,31 4.58,32 10.301,33 10.301,34 10.301,35 19.783,36 18.357,38 1.065,39 1.045,40 5.416,41 7.506,42 1,43 1,44 6.533,45 6.533,46 20.104,47 3.683,48 5.683,49 3.683,50 17.176,51 36.031,52 0.232,53 2,54 3,55 1,56 4,57 3.693,58 0.225,59 15.475,60 3.072,61 3.072,62 5.072,63 3.072,64 1,65 1,66 33.115,67 4.359,68 35.414,69 7,70 5.5}
{0 CHEMBL1967531,4 2,5 3,6 9,8 18.375,9 4.626,10 4.626,11 7.626,12 4.626,14 4.092,15 31.278,16 12.2,17 112.001,18 13.936,19 18.662,20 0.061,21 0.02,22 1.719,23 1,24 2,25 16.95,26 -0.033,27 1,28 0.611,29 2,30 7.431,31 5.061,32 11.489,33 11.489,34 11.489,35 19.978,36 18.5,38 0.956,39 1.05,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 20.83,47 3.562,48 5.562,49 3.562,50 14.885,51 26.101,52 0.202,53 2,54 8,56 5,57 3.382,58 0.143,59 15.529,60 3.229,61 3.229,62 5.229,63 3.229,64 2,65 2,66 34.192,67 4.067,68 36.627,69 5,70 6.9}
{0 CHEMBL1967544,4 3,5 7,6 9,9 4.902,10 4.902,11 7.902,12 4.902,14 4.19,16 7.9,18 14.86,19 22.854,20 0.092,21 0.026,22 3.615,24 3,25 17.941,26 -0.205,28 1.674,29 6,30 7.715,31 7.063,32 14.227,33 14.227,34 14.227,35 21.034,36 19.505,38 1.058,39 1.032,44 7.784,45 7.784,46 24.466,47 4.749,48 6.749,49 4.749,50 16.804,51 70.909,52 0.309,53 4,56 5,57 4.315,58 0.526,59 16.448,60 3.593,61 3.593,62 5.593,63 3.593,64 2,65 2,66 37.201,67 5.7,68 39.847,70 5.5}
{0 CHEMBL1967560,4 1,5 3,6 3,7 1,8 8.503,9 4.074,10 4.074,11 7.074,12 4.074,14 4.038,16 10.5,18 13.319,19 20.265,20 0.078,21 0.024,24 3,25 16.073,26 -0.031,28 1.576,29 6,30 7.431,31 6.06,32 12.265,33 12.265,34 12.265,35 18.837,36 17.512,38 1.191,39 0.964,40 4.443,41 6.293,42 8,44 7.095,45 7.095,46 77.376,47 3.876,48 5.876,49 3.876,50 45.066,51 79.215,52 0.707,54 2,55 1,56 8,57 4.187,58 0.502,59 14.802,60 3.364,61 3.364,62 5.364,63 3.364,64 2,65 2,66 35.146,67 2.423,68 37.636,69 4,70 5.5}
{0 CHEMBL1967564,3 2.833,4 1,5 2,6 4,9 4.66,10 4.66,11 7.66,12 4.66,13 1,14 4.159,16 12.1,17 53.293,18 14.022,19 17.457,20 0.069,21 0.025,22 3.379,23 1,25 17.064,26 0.089,28 0.521,29 3,30 7.429,31 4.638,32 10.586,33 10.586,34 10.586,35 20.109,36 18.612,38 1.058,39 1.019,40 4.727,41 6.823,44 6.602,45 6.602,46 10.484,47 3.598,48 5.598,49 3.598,50 8.052,51 32.454,52 0.275,53 4,54 4,56 4,57 2.823,58 0.086,59 15.604,60 3.158,61 3.158,62 5.158,63 3.158,64 2,65 2,66 33.107,67 3.342,68 35.449,69 3,70 5.5}
{0 CHEMBL1967662,1 1,2 1,3 3.182,7 2,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.129,15 39.149,16 8.3,17 101.12,18 13.795,19 18.107,20 0.07,21 0.018,22 1.909,23 1,25 16.77,26 0.011,27 1,28 0.528,29 5,30 6.456,31 3.317,32 10.927,33 10.927,34 10.927,35 19.755,36 18.295,37 6.216,38 0.813,39 0.943,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 14.407,47 3.206,48 5.206,49 3.206,50 10.585,51 56.599,52 0.419,53 2,54 8,55 1,56 4,57 3.659,58 0.274,59 15.357,60 3.175,61 3.175,62 5.175,63 3.175,64 2,65 2,66 34.082,67 3.204,68 36.461,69 5,70 8.1}
{0 CHEMBL1967704,3 2.967,4 1,5 3,6 3,8 2.757,9 4.51,10 4.51,11 7.51,12 4.51,13 1,14 4.123,16 9.5,17 98.32,18 14.265,19 16.757,20 0.072,21 0.025,22 1.986,23 1,24 1,25 17.24,26 -0.181,28 0.656,29 2,30 7.718,31 4.007,32 10.231,33 10.231,34 10.231,35 20.217,36 18.749,38 0.914,39 0.994,40 4.727,41 6.804,44 6.522,45 6.522,46 8.058,47 4.306,48 6.306,49 4.306,50 9.34,51 47.892,52 0.374,53 2,54 2,55 1,56 4,57 3.578,58 0.234,59 15.801,60 3.103,61 3.103,62 5.103,63 3.103,64 2,65 2,66 33.169,67 3.319,68 35.47,69 2,70 6}
{0 CHEMBL1967720,4 2,5 4,6 8,8 45.852,9 4.726,10 4.726,11 7.726,12 4.726,14 4.145,15 31.278,16 11.3,17 169.53,18 14.372,19 21.043,20 0.086,21 0.03,22 1.736,23 1,24 3,25 17.368,26 -0.033,27 2,28 1.605,29 7,30 8.201,31 5.356,32 13.303,33 13.303,34 13.303,35 20.391,36 18.905,38 0.977,39 1.016,40 5.352,41 7.455,43 2,44 7.62,45 7.62,46 35.532,47 4.036,48 6.036,49 4.036,50 24.903,51 97.346,52 0.755,53 2,54 9,55 2,56 7,57 4.204,58 0.572,59 15.934,60 3.495,61 3.495,62 5.495,63 3.495,64 2,65 2,66 36.449,67 5.225,68 39.014,69 5,70 5.5}
{0 CHEMBL1967878,4 1,5 3,6 3,8 19.187,9 3.962,10 3.962,11 6.962,12 3.962,14 4.066,16 11.1,18 13.119,19 18.747,20 0.074,21 0.027,24 3,25 15.827,26 0.027,28 1.233,30 8.201,31 6.524,32 11.61,33 11.61,34 11.61,35 18.54,36 17.26,38 0.918,39 0.991,40 5.416,41 7.535,42 2,44 6.914,45 6.914,46 58.849,47 3.773,48 5.773,49 3.773,50 36.662,51 69.355,52 0.532,54 5,56 7,57 4.024,58 0.353,59 14.605,60 3.285,61 3.285,62 5.285,63 3.285,64 2,65 2,66 34.468,67 2.671,68 36.896,69 5,70 6.6}
{0 CHEMBL1967887,3 2.99,4 1,5 3,6 3,8 2.757,9 4.51,10 4.51,11 7.51,12 4.51,13 1,14 4.121,16 11.1,17 74.537,18 13.731,19 16.757,20 0.074,21 0.027,22 2.088,23 1,24 1,25 16.707,26 -0.092,28 0.601,29 2,30 5.095,31 2.007,32 10.231,33 10.231,34 10.231,35 19.686,36 18.232,38 1.096,39 1.01,40 4.727,41 6.804,44 6.522,45 6.522,46 7.082,47 3.147,48 5.147,49 3.147,50 7.63,51 21.057,52 0.156,53 2,54 2,55 1,56 4,57 3.099,58 0.119,59 15.299,60 3.103,61 3.103,62 5.103,63 3.103,64 2,65 2,66 32.712,67 3.175,68 35.014,69 2,70 5.5}
{0 CHEMBL1968127,4 1,5 2,6 4,8 43.158,9 4.679,10 4.679,11 7.679,12 4.679,14 4.17,16 10.9,18 14.096,19 19.41,20 0.069,21 0.02,22 0.449,24 1,25 17.112,26 -0.196,27 2,28 0.942,29 2,30 8.201,31 5.407,32 12.057,33 12.057,34 12.057,35 20.15,36 18.658,38 0.646,39 0.974,40 5.416,41 7.535,43 2,44 7.02,45 7.02,46 21.18,47 3.328,48 5.328,49 3.328,50 14.469,51 60.239,52 0.638,53 1,54 1,55 1,56 6,57 3.94,58 0.382,59 15.672,60 3.325,61 3.325,62 5.325,63 3.325,64 3,65 3,66 35.111,67 4.06,68 37.577,69 1,70 5.5}
{0 CHEMBL1968151,8 16.047,9 4.344,10 4.344,11 7.344,12 4.344,14 4.074,15 31.278,16 19.2,17 106.234,18 13.492,19 18.943,20 0.069,21 0.029,23 2,25 16.373,26 -0.129,27 1,28 0.587,29 3,30 7.43,31 4.935,32 11.424,33 11.424,34 11.424,35 19.261,36 17.853,38 1.025,39 1.082,40 5.352,41 7.445,43 1,44 6.852,45 6.852,46 14.401,47 3.722,48 5.722,49 3.722,50 10.18,51 21.212,52 0.3,56 5,57 3.053,58 0.054,59 15.013,60 3.278,61 3.278,62 5.278,63 3.278,64 3,65 3,66 34.15,67 3.04,68 36.57,69 2,70 5.6}
{0 CHEMBL1968380,4 1,5 3,6 3,7 1,8 4.227,9 4.074,10 4.074,11 7.074,12 4.074,14 4.048,16 9.1,18 13.319,19 20.265,20 0.078,21 0.024,24 3,25 16.073,26 0.002,28 1.576,29 8,30 7.43,31 6.135,32 12.265,33 12.265,34 12.265,35 18.837,36 17.512,38 1.151,39 0.96,40 4.443,41 6.293,42 9,44 7.095,45 7.095,46 69.22,47 3.94,48 5.94,49 3.94,50 41.796,51 79.905,52 0.654,54 2,55 1,56 7,57 4.183,58 0.502,59 14.802,60 3.364,61 3.364,62 5.364,63 3.364,64 2,65 2,66 35.146,67 2.423,68 37.636,69 4,70 5.5}
{0 CHEMBL1968406,4 2,5 5,6 7,8 7.962,9 4.724,10 4.724,11 7.724,12 4.724,14 4.142,15 31.278,16 9.8,17 175.95,18 14.219,19 19.834,20 0.054,21 0.024,22 1.865,23 2,24 2,25 17.25,26 0.062,28 0.973,29 4,30 7.431,31 5.472,32 12.368,33 12.368,34 12.368,35 20.302,36 18.802,38 1.008,39 1.058,40 4.844,41 7.081,42 2,44 7.107,45 7.107,46 29.077,47 3.565,48 5.565,49 3.565,50 24.231,51 28.165,52 0.144,53 2,54 10,56 5,57 3.648,58 0.246,59 15.801,60 3.368,61 3.368,62 5.368,63 3.368,64 2,65 2,66 35.236,67 4.288,68 37.742,69 5,70 5.5}
{0 CHEMBL1968459,2 1,3 3.166,7 1,8 14.099,9 4.531,10 4.531,11 7.531,12 4.531,13 1,14 4.122,16 13.5,17 73.245,18 13.697,19 18.062,20 0.061,21 0.015,22 1.951,23 1,25 16.697,26 0.107,27 1,28 0.33,29 2,30 5.104,31 1.361,32 10.905,33 10.905,34 10.905,35 19.699,36 18.233,38 0.972,39 1.007,40 4.727,41 6.843,43 1,44 6.71,45 6.71,46 12.5,47 3.16,48 5.16,49 3.16,50 7.906,51 21.333,52 0.197,53 2,54 4,55 1,56 5,57 3.023,58 0.084,59 15.279,60 3.157,61 3.157,62 5.157,63 3.157,64 3,65 3,66 33.466,67 3.211,68 35.847,69 4,70 6.7}
{0 CHEMBL1968590,4 1,5 3,6 3,8 15.591,9 4.714,10 4.714,11 7.714,12 4.714,14 4.145,15 62.555,16 9.5,17 190.082,18 14.423,19 19.235,20 0.079,21 0.026,22 4.097,23 2,25 17.472,26 -0.021,27 1,28 0.879,29 8,30 7.43,31 4.496,32 11.832,33 11.832,34 11.832,35 20.526,36 19.019,38 0.897,39 1.045,40 5.416,41 7.535,43 1,44 6.974,45 6.974,46 7.162,47 3.449,48 5.449,49 3.449,50 9.945,51 29.802,52 0.192,53 4,54 4,55 1,56 4,57 3.936,58 0.347,59 16,60 3.293,61 3.293,62 5.293,63 3.293,64 2,65 2,66 34.655,67 4.586,68 37.11,69 2,70 5.5}
{0 CHEMBL1968705,3 2.991,4 3,5 8,6 10,8 4.472,9 4.523,10 4.523,11 7.523,12 4.523,13 1,14 4.136,16 9.6,17 158.523,18 14.246,19 17.558,20 0.054,21 0.018,22 3.63,23 1,24 3,25 17.207,26 -0.007,28 1.056,29 14,30 7.429,31 5.174,32 10.573,33 10.573,34 10.573,35 20.174,36 18.729,38 0.873,39 1.025,40 5.209,41 7.125,42 2,44 6.592,45 6.592,46 41.877,47 3.59,48 5.59,49 3.59,50 29.259,51 54.188,52 0.372,53 4,54 4,55 1,56 7,57 4.384,58 0.584,59 15.812,60 3.152,61 3.152,62 5.152,63 3.152,64 3,65 3,66 33.265,67 4.978,68 35.584,69 8,70 5.5}
{0 CHEMBL1968791,2 1,4 2,5 3,6 9,8 5.085,9 4.825,10 4.825,11 7.825,12 4.825,14 4.186,16 7.4,17 144.402,18 14.303,19 20.532,20 0.048,21 0.023,22 1.901,23 1,24 1,25 17.396,26 0.086,28 1.264,29 17,30 5.232,31 2.626,32 12.95,33 12.95,34 12.95,35 20.509,36 18.974,38 1.058,39 1.024,40 5.416,41 7.564,42 5,44 7.268,45 7.268,46 26.054,47 3.53,48 5.53,49 3.53,50 25.723,51 39.351,52 0.38,53 2,54 1,55 1,56 5,57 4.106,58 0.367,59 15.908,60 3.458,61 3.458,62 5.458,63 3.458,64 2,65 2,66 35.879,67 4.069,68 38.432,69 1,70 5.5}
{0 CHEMBL1968926,3 2.949,4 1,5 1,6 5,8 0.693,9 3.954,10 3.954,11 6.954,12 3.954,13 1,14 3.979,15 32.22,16 12.9,18 12.6,19 15.49,20 0.049,21 0.018,25 15.323,26 -0.14,28 0.32,29 3,30 5.112,31 1.464,32 9.223,33 9.223,34 9.223,35 18.04,36 16.818,38 0.867,39 1.014,40 4.595,41 6.581,44 6.181,45 6.181,46 4.511,47 4.438,48 6.438,49 4.438,50 5.279,51 17.214,52 0.125,56 4,57 2.931,58 0.07,59 14.195,60 2.92,61 2.92,62 4.92,63 2.92,64 3,65 3,66 31.145,67 2.973,68 33.349,69 1,70 5.5}
{0 CHEMBL1968930,1 1,2 1,3 3.139,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.124,15 39.149,16 14.3,17 88.521,18 13.795,19 18.108,20 0.074,21 0.02,22 1.812,23 1,25 16.77,26 0.029,27 1,28 0.583,29 2,30 5.141,31 2.049,32 10.928,33 10.928,34 10.928,35 19.756,36 18.295,37 6.16,38 0.875,39 0.978,40 4.727,41 6.843,43 1,44 6.715,45 6.715,46 16.907,47 3.229,48 5.229,49 3.229,50 11.088,51 54.657,52 0.523,53 2,54 5,55 1,56 6,57 3.705,58 0.215,59 15.357,60 3.186,61 3.186,62 5.186,63 3.186,64 3,65 3,66 34.086,67 3.208,68 36.465,69 4,70 6.9}
{0 CHEMBL1969042,3 3.015,4 3,5 6,6 12,9 4.321,10 4.321,11 7.321,12 4.321,13 1,14 4.077,16 6.8,18 13.533,19 18.845,20 0.074,21 0.021,24 4,25 16.377,26 0.077,28 0.876,29 12,30 6.476,31 3.611,32 11.628,33 11.628,34 11.628,35 19.234,36 17.872,38 0.993,39 0.969,40 4.727,41 6.843,44 6.909,45 6.909,46 20.988,47 3.276,48 5.276,49 3.276,50 15.957,51 46.73,52 0.318,54 11,55 1,56 3,57 3.866,58 0.334,59 15.087,60 3.241,61 3.241,62 5.241,63 3.241,64 1,65 1,66 34.359,67 3.369,68 36.807,69 10,70 5.5}
{0 CHEMBL1969049,4 2,5 5,6 7,9 4.094,10 4.094,11 7.094,12 4.094,14 4.03,16 4.2,18 13.131,19 16.831,20 0.082,21 0.028,24 1,25 15.892,26 0.13,28 0.924,29 9,30 7.429,31 5.631,32 10.033,33 10.033,34 10.033,35 18.654,36 17.373,38 1.02,39 0.967,44 6.474,45 6.474,46 19.526,47 3.59,48 5.59,49 3.59,50 15.446,51 36.258,52 0.18,54 3,56 2,57 3.486,58 0.209,59 14.686,60 3.049,61 3.049,62 5.049,63 3.049,64 1,65 1,66 32.544,67 3.04,68 34.812,69 3,70 5.5}
{0 CHEMBL1969126,4 2,5 6,6 6,8 58.363,9 4.708,10 4.708,11 7.708,12 4.708,14 4.201,16 11.6,17 94.582,18 14.548,19 19.698,20 0.079,21 0.025,22 1.945,23 1,24 2,25 17.585,26 -0.139,27 2,28 1.136,29 9,30 8.211,31 6.496,32 12.173,33 12.173,34 12.173,35 20.628,36 19.128,38 1.093,39 1.05,40 5.82,41 7.941,43 2,44 7.053,45 7.053,46 6.987,47 3.395,48 5.395,49 3.395,50 9.58,51 90.578,52 0.764,53 3,56 5,57 3.969,58 0.43,59 16.12,60 3.353,61 3.353,62 5.353,63 3.353,64 3,65 3,66 35.168,67 4.983,68 37.641,70 5.5}
{0 CHEMBL1969151,1 1,2 1,3 3.183,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.125,15 39.149,16 12.2,17 102.364,18 13.775,19 18.109,20 0.065,21 0.021,22 1.869,23 1,25 16.759,26 0.235,27 1,28 0.688,29 2,30 5.139,31 2.166,32 10.928,33 10.928,34 10.928,35 19.749,36 18.287,37 6.277,38 0.79,39 0.994,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 29.192,47 3.205,48 5.205,49 3.205,50 17.604,51 36.055,52 0.374,53 2,54 5,55 1,56 6,57 3.775,58 0.218,59 15.343,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.527,67 3.209,68 35.902,69 4,70 7.2}
{0 CHEMBL1969190,4 3,5 9,6 9,8 41.36,9 4.696,10 4.696,11 7.696,12 4.696,14 4.123,16 8.7,17 132.843,18 14.162,19 19.209,20 0.066,21 0.033,22 1.067,23 1,24 5,25 17.179,26 -0.011,28 1.268,29 2,30 8.211,31 5.235,32 11.808,33 11.808,34 11.808,35 20.218,36 18.727,38 1.059,39 1.02,40 4.727,41 6.843,44 6.969,45 6.969,46 30.042,47 3.565,48 5.565,49 3.565,50 22.454,51 82.686,52 0.863,53 2,54 8,56 4,57 3.568,58 0.302,59 15.74,60 3.282,61 3.282,62 5.282,63 3.282,64 1,65 1,66 34.586,67 4.092,68 37.045,69 5,70 6}
{0 CHEMBL1969221,3 2.947,4 3,5 6,6 12,8 7.229,9 4.529,10 4.529,11 7.529,12 4.529,13 1,14 4.144,16 13,17 125.565,18 14.145,19 18.914,20 0.076,21 0.022,22 1.777,23 1,24 1,25 17.1,26 0.155,28 1.014,29 13,30 5.255,31 2.036,32 11.649,33 11.649,34 11.649,35 20.06,36 18.617,38 0.891,39 1.046,40 5.416,41 7.516,44 6.914,45 6.914,46 25.843,47 3.296,48 5.296,49 3.296,50 18.06,51 36.862,52 0.249,53 2,54 3,55 4,56 7,57 4.078,58 0.406,59 15.706,60 3.258,61 3.258,62 5.258,63 3.258,64 3,65 3,66 34.517,67 4.158,68 36.949,69 3,70 5.5}
{0 CHEMBL1969301,4 2,5 5,6 7,8 2.144,9 4.597,10 4.597,11 7.597,12 4.597,14 4.141,16 7.7,17 150.222,18 13.978,19 18.396,20 0.078,21 0.027,22 1.648,23 1,24 1,25 16.955,26 -0.02,28 1.4,29 8,30 7.43,31 6.023,32 11.142,33 11.142,34 11.142,35 19.952,36 18.481,38 0.993,39 0.972,40 4.844,41 7.034,42 5,44 6.768,45 6.768,46 26.047,47 4.058,48 6.058,49 4.058,50 23.435,51 87.411,52 0.59,53 2,54 5,56 5,57 4.09,58 0.475,59 15.533,60 3.229,61 3.229,62 5.229,63 3.229,64 1,65 1,66 33.994,67 3.226,68 36.372,69 1,70 5.5}
{0 CHEMBL1969372,4 1,5 2,6 4,8 31.387,9 4.662,10 4.662,11 7.662,12 4.662,14 4.151,16 13.6,17 104.661,18 14.034,19 19.398,20 0.06,21 0.018,22 0.68,23 1,24 1,25 17.059,26 -0.128,27 1,28 0.757,29 2,30 8.201,31 5.356,32 12.053,33 12.053,34 12.053,35 20.096,36 18.61,38 1.106,39 1.012,40 4.844,41 7.066,43 1,44 7.018,45 7.018,46 14.194,47 3.321,48 5.321,49 3.321,50 11,51 37.388,52 0.38,53 1,54 1,56 6,57 3.832,58 0.237,59 15.626,60 3.319,61 3.319,62 5.319,63 3.319,64 4,65 4,66 34.862,67 4.276,68 37.345,70 5.5}
{0 CHEMBL1969473,3 2.991,4 3,5 5,6 13,8 4.901,9 4.435,10 4.435,11 7.435,12 4.435,13 1,14 4.137,16 11.4,17 105.164,18 13.948,19 18.896,20 0.057,21 0.016,22 2.07,23 1,25 16.881,26 0.171,28 0.66,29 13,30 5.141,31 1.532,32 11.64,33 11.64,34 11.64,35 19.814,36 18.393,38 0.954,39 1.071,40 5.352,41 7.413,44 6.912,45 6.912,46 13.558,47 3.287,48 5.287,49 3.287,50 8.381,51 24.802,52 0.175,53 2,54 1,55 2,56 5,57 3.818,58 0.154,59 15.515,60 3.248,61 3.248,62 5.248,63 3.248,64 3,65 3,66 34.412,67 4.126,68 36.853,69 2,70 6}
{0 CHEMBL1969502,2 1,3 3.139,4 2,5 5,6 7,8 13.915,9 4.655,10 4.655,11 7.655,12 4.655,13 1,14 4.161,16 9.5,17 80.661,18 13.993,19 18.812,20 0.068,21 0.023,22 1.613,23 1,24 1,25 17.012,26 0.126,27 1,28 0.74,29 7,30 7.431,31 5.616,32 11.609,33 11.609,34 11.609,35 20.051,36 18.557,38 0.951,39 1.063,40 6.196,41 8.201,42 1,43 1,44 6.907,45 6.907,46 18.934,47 3.815,48 5.815,49 3.815,50 17.303,51 45.784,52 0.308,53 2,54 3,55 1,56 4,57 3.497,58 0.211,59 15.566,60 3.273,61 3.273,62 5.273,63 3.273,66 34.847,67 3.495,68 37.283,69 7,70 5.5}
{0 CHEMBL1969506,4 2,5 5,6 7,8 8.907,9 4.66,10 4.66,11 7.66,12 4.66,14 4.133,16 8.6,17 160.073,18 14.653,19 19.657,20 0.091,21 0.035,22 1.153,23 1,24 2,25 17.662,26 -0.189,28 1.59,30 7.726,31 5.361,32 11.657,33 11.657,34 11.657,35 20.681,36 19.186,38 0.953,39 0.982,40 4.727,41 6.843,44 7.111,45 7.111,46 40.052,47 4.661,48 6.661,49 4.661,50 27.998,51 107.565,52 0.903,53 2,54 4,55 4,56 5,57 4.056,58 0.524,59 16.193,60 3.314,61 3.314,62 5.314,63 3.314,64 1,65 1,66 35.292,67 3.641,68 37.724,69 3,70 5.5}
{0 CHEMBL1969523,4 1,5 2,6 4,8 4.227,9 4.23,10 4.23,11 7.23,12 4.23,14 3.999,16 9.4,18 13.424,19 19.75,20 0.079,21 0.03,24 1,25 16.224,26 0.188,28 1.188,30 6.539,31 4.018,32 11.75,33 11.75,34 11.75,35 19.035,36 17.688,38 1.082,39 0.904,44 7.079,45 7.079,46 45.402,47 3.623,48 5.623,49 3.623,50 26.523,51 65.672,52 0.493,54 3,55 2,56 5,57 3.785,58 0.345,59 14.938,60 3.356,61 3.356,62 5.356,63 3.356,64 2,65 2,66 34.932,67 3.539,68 37.373,69 2,70 5.5}
{0 CHEMBL1969537,8 1.358,9 5.163,10 5.163,11 8.163,12 5.163,14 4.285,15 108.405,16 21.4,17 109.966,18 14.979,19 21.088,20 0.07,21 0.034,22 3.732,23 3,25 18.196,26 -0.044,28 1.042,30 5.288,31 1.293,32 13.088,33 13.088,34 13.088,35 21.432,36 19.821,38 1.183,39 1.118,40 6.107,41 8.233,42 3,44 7.295,45 7.295,46 4.228,47 3.936,48 5.936,49 3.936,50 8.037,51 14.09,52 0.272,53 4,56 6,57 2.757,59 16.613,60 3.501,61 3.501,62 5.501,63 3.501,64 4,65 4,66 36.065,67 3.883,68 38.621,70 6.5}
{0 CHEMBL1969561,3 2.94,4 2,5 4,6 8,8 4.901,9 4.429,10 4.429,11 7.429,12 4.429,13 1,14 4.13,16 12,17 113.497,18 13.914,19 19.196,20 0.076,21 0.025,22 1.901,23 1,25 16.84,26 0.138,28 1.097,29 1,30 7.428,31 6.273,32 11.73,33 11.73,34 11.73,35 19.769,36 18.341,38 0.976,39 0.994,40 5.352,41 7.413,44 6.959,45 6.959,46 25.201,47 3.754,48 5.754,49 3.754,50 16.518,51 61,52 0.408,53 2,54 1,55 2,56 6,57 3.96,58 0.368,59 15.458,60 3.275,61 3.275,62 5.275,63 3.275,64 3,65 3,66 34.528,67 3.732,68 36.973,69 2,70 5.5}
{0 CHEMBL1969588,1 1,2 1,3 3.188,4 1,5 1,6 5,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.13,15 39.149,16 10.3,17 90.944,18 13.811,19 18.107,20 0.054,21 0.016,22 1.924,23 1,25 16.786,26 0.141,27 1,28 0.451,29 6,30 5.103,31 2.112,32 10.927,33 10.927,34 10.927,35 19.768,36 18.32,37 6.223,38 0.914,39 1.053,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 17.755,47 3.202,48 5.202,49 3.202,50 11.313,51 20.583,52 0.159,53 2,54 8,55 1,56 4,57 3.66,58 0.152,59 15.398,60 3.167,61 3.167,62 5.167,63 3.167,64 2,65 2,66 33.504,67 4.118,68 35.884,69 4,70 7.2}
{0 CHEMBL1969664,2 1,3 2.941,4 1,5 3,6 3,8 2.144,9 4.645,10 4.645,11 7.645,12 4.645,13 1,14 4.15,16 9.3,17 101.386,18 13.948,19 18.778,20 0.057,21 0.021,22 1.579,23 1,25 16.977,26 0.099,28 0.695,29 4,30 6.82,31 4.281,32 11.627,33 11.627,34 11.627,35 20.018,36 18.524,38 1.104,39 0.992,40 4.844,41 7.034,44 6.915,45 6.915,46 18.276,47 4.058,48 6.058,49 4.058,50 16.484,51 42.824,52 0.314,53 2,54 5,55 1,56 4,57 3.333,58 0.206,59 15.529,60 3.267,61 3.267,62 5.267,63 3.267,64 1,65 1,66 34.358,67 3.381,68 36.805,69 4,70 5.5}
{0 CHEMBL1969735,1 1,4 1,5 2,6 4,8 73.607,9 4.72,10 4.72,11 7.72,12 4.72,14 4.154,15 39.149,16 12,17 119.644,18 14.182,19 19.689,20 0.079,21 0.023,22 0.475,23 1,24 1,25 17.213,26 -0.183,27 1,28 1.146,29 3,30 8.201,31 5.454,32 12.197,33 12.197,34 12.197,35 20.266,36 18.767,37 6.266,38 0.899,39 0.965,40 4.844,41 7.081,43 1,44 7.059,45 7.059,46 15.508,47 3.402,48 5.402,49 3.402,50 12.213,51 95.41,52 0.849,53 1,54 1,56 6,57 4.144,58 0.463,59 15.765,60 3.348,61 3.348,62 5.348,63 3.348,64 4,65 4,66 35.196,67 4.259,68 37.672,69 2,70 5.5}
{0 CHEMBL1969755,4 2,5 4,6 8,8 14.96,9 4.072,10 4.072,11 7.072,12 4.072,14 4.018,16 4.4,18 12.973,19 16.639,20 0.066,21 0.026,24 1,25 15.733,26 0.156,28 0.854,29 4,30 8.201,31 6.428,32 9.86,33 9.86,34 9.86,35 18.492,36 17.228,38 0.988,39 0.956,44 6.435,45 6.435,46 9.598,47 3.624,48 5.624,49 3.624,50 10.264,51 94.096,52 0.499,54 5,56 2,57 3.628,58 0.193,59 14.553,60 3.041,61 3.041,62 5.041,63 3.041,64 1,65 1,66 32.279,67 2.915,68 34.534,69 2,70 5.5}
{0 CHEMBL1969843,3 2.955,4 1,5 3,6 3,8 13.915,9 4.392,10 4.392,11 7.392,12 4.392,13 1,14 4.119,16 13.2,17 81.465,18 13.555,19 16.128,20 0.054,21 0.016,22 2.125,23 1,25 16.475,26 0.377,27 1,28 0.348,29 1,30 5.141,31 1.891,32 9.639,33 9.639,34 9.639,35 19.396,36 17.969,38 1.055,39 1.016,40 5.283,41 7.273,42 2,43 1,44 6.306,45 6.306,46 5.988,47 3.038,48 5.038,49 3.038,50 9.057,51 25.373,52 0.262,53 2,54 1,55 2,56 5,57 3.087,58 0.056,59 15.092,60 3.027,61 3.027,62 5.027,63 3.027,64 3,65 3,66 31.976,67 2.947,68 34.209,69 2,70 5.5}
{0 CHEMBL1969879,2 1,3 3.09,8 14.099,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.099,16 11.6,17 83.292,18 13.524,19 18.665,20 0.098,21 0.031,22 1.784,23 1,25 16.503,26 -0.054,27 1,28 0.903,29 3,30 7.429,31 4.776,32 11.145,33 11.145,34 11.145,35 19.489,36 18.021,38 0.995,39 0.93,40 4.595,41 6.605,42 2,43 1,44 6.803,45 6.803,46 21.865,47 3.735,48 5.735,49 3.735,50 16.238,51 50.851,52 0.466,53 2,55 1,56 5,57 3.469,58 0.131,59 15.073,60 3.205,61 3.205,62 5.205,63 3.205,64 2,65 2,66 33.877,67 2.067,68 36.263,69 2,70 5.5}
{0 CHEMBL1969920,1 1,2 1,3 3.206,4 1,5 1,6 5,8 56.319,9 4.536,10 4.536,11 7.536,12 4.536,13 1,14 4.131,15 39.149,16 9.5,17 95.788,18 13.833,19 18.134,20 0.063,21 0.018,22 1.936,23 1,25 16.804,26 0.067,27 1,28 0.597,29 6,30 5.1,31 2.19,32 10.937,33 10.937,34 10.937,35 19.783,36 18.336,37 6.302,38 1.056,39 1.036,40 4.727,41 6.843,43 1,44 6.717,45 6.717,46 17.636,47 3.251,48 5.251,49 3.251,50 11.828,51 24.025,52 0.203,53 2,54 3,56 4,57 3.755,58 0.173,59 15.415,60 3.174,61 3.174,62 5.174,63 3.174,64 2,65 2,66 33.565,67 4.085,68 35.939,69 2,70 6.8}
{0 CHEMBL1970074,3 2.975,4 3,5 7,6 11,8 7.033,9 4.621,10 4.621,11 7.621,12 4.621,13 1,14 4.135,16 8.5,17 136.543,18 14.058,19 18.916,20 0.074,21 0.028,22 1.896,23 1,24 2,25 17.04,26 0.143,28 1.091,29 7,30 8.513,31 5.167,32 11.69,33 11.69,34 11.69,35 20.041,36 18.573,38 1.063,39 1.034,40 4.727,41 6.823,44 7.116,45 7.116,46 25.872,47 4.46,48 6.46,49 4.46,50 18.603,51 90.736,52 0.69,53 2,54 9,56 4,57 3.679,58 0.294,59 15.626,60 3.32,61 3.32,62 5.32,63 3.32,64 1,65 1,66 34.998,67 4.177,68 37.445,69 6,70 5.5}
{0 CHEMBL1970104,3 6.478,4 2,5 5,6 7,8 4.901,9 4.595,10 4.595,11 7.595,12 4.595,13 2,14 4.179,16 10,17 154.479,18 14.249,19 18.966,20 0.082,21 0.026,22 4.064,23 2,25 17.255,26 0.136,28 0.639,29 2,30 5.155,31 1.753,32 11.713,33 11.713,34 11.713,35 20.261,36 18.783,38 0.848,39 1.03,40 5.416,41 7.535,44 7.12,45 7.12,46 5.882,47 3.548,48 5.548,49 3.548,50 6.063,51 33.278,52 0.254,53 4,54 4,56 4,57 3.095,58 0.22,59 15.812,60 3.337,61 3.337,62 5.337,63 3.337,64 2,65 2,66 34.819,67 4.063,68 37.254,69 2,70 5.9}
{0 CHEMBL1970142,4 2,5 4,6 8,8 30.892,9 4.726,10 4.726,11 7.726,12 4.726,14 4.144,15 31.278,16 10.8,17 170.896,18 14.299,19 19.553,20 0.081,21 0.026,22 1.844,23 1,24 2,25 17.304,26 -0.068,27 2,28 1.439,29 6,30 7.432,31 5.396,32 11.981,33 11.981,34 11.981,35 20.338,36 18.848,38 0.936,39 1.017,40 5.352,41 7.445,43 2,44 7.013,45 7.013,46 33.219,47 3.741,48 5.741,49 3.741,50 26.286,51 70.703,52 0.448,53 2,54 9,55 2,56 7,57 4.165,58 0.471,59 15.87,60 3.318,61 3.318,62 5.318,63 3.318,64 2,65 2,66 34.858,67 5.215,68 37.32,69 5,70 5.5}
{0 CHEMBL1970189,3 2.854,4 1,5 2,6 4,8 7.571,9 4.243,10 4.243,11 7.243,12 4.243,13 1,14 4.061,16 12.9,17 69.679,18 13.373,19 19.961,20 0.083,21 0.033,23 1,24 1,25 16.204,26 0.019,28 1.118,29 3,30 6.82,31 3.396,32 12.411,33 12.411,34 12.411,35 19.036,36 17.659,37 6.269,38 1.31,39 1.001,40 4.727,41 6.823,44 7.125,45 7.125,46 15.265,47 4.156,48 6.156,49 4.156,50 14.014,51 56.246,52 0.392,54 4,56 4,57 2.559,59 14.871,60 3.361,61 3.361,62 5.361,63 3.361,64 1,65 1,66 35.278,67 2.559,68 37.789,69 3,70 5.5}
{0 CHEMBL1970203,4 2,5 5,6 7,8 18.375,9 4.613,10 4.613,11 7.613,12 4.613,14 4.071,15 31.278,16 11.8,17 146.644,18 14.021,19 18.549,20 0.06,21 0.022,22 1.207,23 1,24 3,25 17.001,26 0.127,27 1,28 0.806,29 4,30 7.432,31 5.667,32 11.41,33 11.41,34 11.41,35 20.001,36 18.535,38 0.709,39 1.02,40 4.727,41 6.862,43 1,44 6.87,45 6.87,46 39.769,47 3.621,48 5.621,49 3.621,50 27.256,51 45.055,52 0.367,53 2,54 9,55 2,56 6,57 3.775,58 0.313,59 15.591,60 3.22,61 3.22,62 5.22,63 3.22,64 2,65 2,66 34.102,67 4.048,68 36.528,69 8,70 5.5}
{0 CHEMBL1970217,4 2,5 4,6 8,9 4.046,10 4.046,11 7.046,12 4.046,14 4.025,16 4.2,18 13.112,19 16.603,20 0.088,21 0.03,24 1,25 15.856,26 0.066,28 0.924,29 11,30 7.429,31 5.545,32 9.942,33 9.942,34 9.942,35 18.596,36 17.33,38 1.015,39 0.967,44 6.451,45 6.451,46 19.526,47 3.586,48 5.586,49 3.586,50 15.446,51 40.917,52 0.205,54 3,56 2,57 3.445,58 0.185,59 14.663,60 3.012,61 3.012,62 5.012,63 3.012,64 1,65 1,66 32.453,67 3.14,68 34.712,69 3,70 5.5}
{0 CHEMBL1970314,4 2,5 6,6 6,9 4.524,10 4.524,11 7.524,12 4.524,14 4.107,16 9.1,18 13.758,19 17.891,20 0.072,21 0.03,22 1.494,24 1,25 16.734,26 -0.086,28 0.799,29 8,30 7.437,31 4.623,32 10.804,33 10.804,34 10.804,35 19.717,36 18.265,38 1.178,39 1.042,44 6.685,45 6.685,46 4.851,47 3.549,48 5.549,49 3.549,50 5.987,51 34.577,52 0.184,53 2,54 4,56 3,57 3.073,58 0.094,59 15.335,60 3.165,61 3.165,62 5.165,63 3.165,64 1,65 1,66 33.396,67 3.457,68 35.757,69 3,70 5.5}
{0 CHEMBL1970317,4 2,5 4,6 8,8 45.852,9 4.726,10 4.726,11 7.726,12 4.726,14 4.139,15 31.278,16 11.5,17 142.688,18 14.268,19 19.547,20 0.067,21 0.027,22 1.938,23 1,24 3,25 17.283,26 0.037,27 2,28 1.279,29 5,30 8.201,31 5.297,32 11.979,33 11.979,34 11.979,35 20.323,36 18.83,38 1.073,39 1.054,40 5.352,41 7.424,43 2,44 7.013,45 7.013,46 25.279,47 3.563,48 5.563,49 3.563,50 19.675,51 37.379,52 0.346,53 2,54 9,55 2,56 6,57 3.855,58 0.276,59 15.845,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.82,67 4.998,68 37.288,69 5,70 5.6}
{0 CHEMBL1970340,4 2,5 5,6 7,8 7.164,9 4.622,10 4.622,11 7.622,12 4.622,14 4.114,16 7.4,17 56.259,18 13.873,19 18.727,20 0.074,21 0.023,22 1.418,23 1,24 1,25 16.909,26 -0.017,28 0.445,29 5,30 6.471,31 3.496,32 11.479,33 11.479,34 11.479,35 19.949,36 18.456,38 1.125,39 1.004,40 4.727,41 6.823,44 6.881,45 6.881,46 3.663,47 3.244,48 5.244,49 3.244,50 5.319,51 20.762,52 0.191,53 2,54 5,55 2,56 2,57 2.607,59 15.458,60 3.225,61 3.225,62 5.225,63 3.225,64 1,65 1,66 34.179,67 3.181,68 36.614,69 3,70 5.5}
{0 CHEMBL1970369,3 2.883,4 1,5 3,6 3,8 7.593,9 4.393,10 4.393,11 7.393,12 4.393,13 1,14 4.119,16 11.9,17 103.755,18 13.671,19 16.902,20 0.083,21 0.029,22 1.868,23 1,25 16.567,26 0.15,28 0.868,29 2,30 7.437,31 5.62,32 9.978,33 9.978,34 9.978,35 19.472,36 18.051,38 0.942,39 1.008,40 5.283,41 7.286,42 2,44 6.454,45 6.454,46 11.437,47 3.728,48 5.728,49 3.728,50 10.86,51 95.518,52 0.814,53 2,54 2,55 2,56 5,57 3.469,58 0.224,59 15.19,60 3.082,61 3.082,62 5.082,63 3.082,64 2,65 2,66 32.72,67 3.056,68 34.979,69 3,70 5.5}
{0 CHEMBL1970522,4 2,5 4,6 8,8 0.693,9 3.94,10 3.94,11 6.94,12 3.94,14 3.971,15 32.22,16 5.4,18 12.867,19 15.578,20 0.059,21 0.025,24 3,25 15.562,26 0.072,28 0.674,29 3,30 7.429,31 5.039,32 9.271,33 9.271,34 9.271,35 18.254,36 17.018,38 1.07,39 0.964,40 4.727,41 6.783,44 6.189,45 6.189,46 15.157,47 4.69,48 6.69,49 4.69,50 14.539,51 36.659,52 0.306,54 4,55 1,56 2,57 3.499,58 0.173,59 14.4,60 2.989,61 2.989,62 4.989,63 2.989,66 31.562,67 3.247,68 33.753,69 2,70 5.8}
{0 CHEMBL1970709,3 2.869,4 2,5 5,6 7,8 6.42,9 4.366,10 4.366,11 7.366,12 4.366,13 1,14 4.097,15 45.954,16 11.8,17 90.794,18 13.418,19 15.548,20 0.065,21 0.021,22 1.9,23 1,24 2,25 16.326,26 0.308,28 0.399,30 7.431,31 4.872,32 9.267,33 9.267,34 9.267,35 19.242,36 17.834,38 1.025,39 1.026,40 4.595,41 6.581,44 6.195,45 6.195,46 17.987,47 3.551,48 5.551,49 3.551,50 13.592,51 32.291,52 0.272,53 2,54 5,55 2,56 4,57 3.347,58 0.072,59 14.979,60 2.947,61 2.947,62 4.947,63 2.947,64 1,65 1,66 31.232,67 2.924,68 33.437,69 5,70 5.5}
{0 CHEMBL1970735,8 7.143,9 4.136,10 4.136,11 7.136,12 4.136,14 3.937,16 12.9,18 12.794,19 16.948,20 0.071,21 0.037,24 1,25 15.626,26 -0.113,28 0.66,29 1,30 7.43,31 3.907,32 10.059,33 10.059,34 10.059,35 18.462,36 17.09,38 1.253,39 0.902,44 6.478,45 6.478,46 22.096,47 4.087,48 6.087,49 4.087,50 15.702,51 56.478,52 0.46,54 1,56 4,57 2.759,58 0.049,59 14.301,60 3.047,61 3.047,62 5.047,63 3.047,64 1,65 1,66 32.332,67 1.549,68 34.629,69 4,70 5.5}
{0 CHEMBL1970806,8 5.634,9 4.474,10 4.474,11 7.474,12 4.474,14 4.111,15 31.278,16 13.9,17 162.162,18 13.826,19 19.85,20 0.061,21 0.028,23 3,25 16.759,26 0.2,28 0.869,29 2,30 7.43,31 5.346,32 12.229,33 12.229,34 12.229,35 19.7,36 18.255,38 0.9,39 1.087,40 5.476,41 7.67,42 4,44 7.067,45 7.067,46 20.315,47 3.74,48 5.74,49 3.74,50 15.889,51 28.278,52 0.343,54 2,55 1,56 5,57 3.475,58 0.079,59 15.354,60 3.381,61 3.381,62 5.381,63 3.381,64 3,65 3,66 35.111,67 3.047,68 37.6,69 2,70 5.5}
{0 CHEMBL1970821,1 1,2 1,3 3.163,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.129,15 39.149,16 10.3,17 83.548,18 13.761,19 18.107,20 0.056,21 0.018,22 1.902,23 1,25 16.752,26 0.048,27 1,28 0.472,29 5,30 6.456,31 2.803,32 10.927,33 10.927,34 10.927,35 19.746,36 18.283,37 6.141,38 0.969,39 0.976,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 14.407,47 3.201,48 5.201,49 3.201,50 10.585,51 28.008,52 0.249,53 2,54 6,55 2,56 4,57 3.508,58 0.142,59 15.334,60 3.166,61 3.166,62 5.166,63 3.166,64 2,65 2,66 33.502,67 3.208,68 35.882,69 5,70 7.6}
{0 CHEMBL1970903,2 1,3 6.316,4 2,5 5,6 7,8 16.672,9 4.51,10 4.51,11 7.51,12 4.51,13 2,14 4.144,16 9.4,17 255.999,18 14.295,19 17.025,20 0.074,21 0.025,22 4.406,23 2,24 1,25 17.287,26 0.029,27 1,28 0.906,29 4,30 5.099,31 2.471,32 10.301,33 10.301,34 10.301,35 20.278,36 18.814,38 1.064,39 1.049,40 5.416,41 7.506,43 1,44 6.533,45 6.533,46 9.41,47 3.164,48 5.164,49 3.164,50 11.017,51 36.287,52 0.273,53 4,54 4,55 1,56 5,57 3.697,58 0.218,59 15.865,60 3.103,61 3.103,62 5.103,63 3.103,64 2,65 2,66 33.377,67 5.069,68 35.691,69 6,70 7.1}
{0 CHEMBL1970913,4 1,5 2,6 4,8 2.328,9 4.757,10 4.757,11 7.757,12 4.757,14 4.178,16 9.8,17 67.681,18 14.236,19 18.822,20 0.076,21 0.03,22 2.878,23 1,25 17.306,26 0.037,28 0.997,29 5,30 7.431,31 5.136,32 11.516,33 11.516,34 11.516,35 20.387,36 18.866,38 1.073,39 0.984,40 4.844,41 7.05,44 6.873,45 6.873,46 19.474,47 3.729,48 5.729,49 3.729,50 14.557,51 56.3,52 0.437,53 4,54 2,56 4,57 3.517,58 0.189,59 15.821,60 3.287,61 3.287,62 5.287,63 3.287,64 2,65 2,66 34.252,67 3.412,68 36.683,69 2,70 5.5}
{0 CHEMBL1970950,4 2,5 4,6 8,8 4.227,9 3.95,10 3.95,11 6.95,12 3.95,14 3.981,16 9.8,18 12.937,19 16.377,20 0.056,21 0.019,24 2,25 15.648,26 -0.151,28 0.542,29 2,30 7.475,31 4.26,32 9.816,33 9.816,34 9.816,35 18.352,36 17.129,38 0.825,39 0.947,44 6.417,45 6.417,46 40.845,47 3.608,48 5.608,49 3.608,50 23.633,51 48.017,52 0.485,54 6,55 2,56 4,57 3.555,58 0.197,59 14.504,60 2.985,61 2.985,62 4.985,63 2.985,64 2,65 2,66 32.039,67 3.433,68 34.303,69 7,70 5.5}
{0 CHEMBL1971021,4 3,5 9,6 9,8 4.276,9 4.318,10 4.318,11 7.318,12 4.318,14 4.079,16 5.8,17 138.647,18 13.731,19 20.509,20 0.073,21 0.034,23 1,24 2,25 16.568,26 0.21,28 1.649,29 6,30 8.513,31 5.905,32 12.578,33 12.578,34 12.578,35 19.416,36 18.042,38 0.822,39 1.016,40 4.727,41 6.823,44 7.305,45 7.305,46 43.022,47 4.471,48 6.471,49 4.471,50 28.774,51 106.568,52 0.672,54 11,56 3,57 4.121,58 0.388,59 15.247,60 3.43,61 3.43,62 5.43,63 3.43,66 35.588,67 3.351,68 38.098,69 6,70 5.5}
{0 CHEMBL1971029,4 2,5 5,6 7,8 4.227,9 4.736,10 4.736,11 7.736,12 4.736,14 4.089,15 45.954,16 10.8,18 14.344,19 20.475,20 0.094,21 0.029,24 6,25 17.354,26 -0.058,28 1.569,29 1,30 7.717,31 5.444,32 12.808,33 12.808,34 12.808,35 20.392,36 18.891,38 0.829,39 0.984,44 7.392,45 7.392,46 56.529,47 4.704,48 6.704,49 4.704,50 35.803,51 100.745,52 0.87,54 4,55 2,56 7,57 4.742,58 0.513,59 15.896,60 3.424,61 3.424,62 5.424,63 3.424,64 2,65 2,66 35.732,67 3.811,68 38.273,69 2,70 5.7}
{0 CHEMBL1971141,4 3,5 6,6 12,8 4.276,9 3.979,10 3.979,11 6.979,12 3.979,14 4.025,16 6.7,18 12.987,19 15.606,20 0.064,21 0.031,24 2,25 15.69,26 0.04,28 0.944,29 6,30 7.438,31 5.094,32 9.299,33 9.299,34 9.299,35 18.392,36 17.165,38 0.923,39 1.001,44 6.213,45 6.213,46 24.07,47 3.563,48 5.563,49 3.563,50 16.973,51 40.121,52 0.155,54 9,56 3,57 3.388,58 0.229,59 14.544,60 2.946,61 2.946,62 4.946,63 2.946,66 31.424,67 3.265,68 33.614,69 5,70 5.5}
{0 CHEMBL1971149,4 1,5 3,6 3,8 46.347,9 4.727,10 4.727,11 7.727,12 4.727,14 4.161,16 11.5,17 128.86,18 14.287,19 19.882,20 0.09,21 0.028,22 0.501,23 1,24 2,25 17.302,26 -0.163,27 1,28 1.504,29 2,30 8.211,31 6.662,32 12.286,33 12.286,34 12.286,35 20.341,36 18.846,38 0.917,39 0.963,40 4.844,41 7.081,43 1,44 7.207,45 7.207,46 21.88,47 3.982,48 5.982,49 3.982,50 17.322,51 183.078,52 1.383,53 1,54 1,56 6,57 4.192,58 0.528,59 15.856,60 3.365,61 3.365,62 5.365,63 3.365,64 4,65 4,66 35.65,67 4.399,68 38.139,69 2,70 5.5}
{0 CHEMBL1971172,1 1,2 1,3 3.153,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.131,15 39.149,16 10.2,17 112.237,18 14.303,19 18.114,20 0.072,21 0.018,22 1.811,23 1,25 17.278,26 0.114,27 1,28 0.694,29 6,30 7.718,31 4.311,32 10.934,33 10.934,34 10.934,35 20.259,36 18.788,37 6.22,38 1.151,39 0.973,40 4.727,41 6.843,43 1,44 6.722,45 6.722,46 17.882,47 4.307,48 6.307,49 4.307,50 12.799,51 72.031,52 0.629,53 2,54 6,55 1,56 5,57 3.93,58 0.302,59 15.837,60 3.232,61 3.232,62 5.232,63 3.232,64 2,65 2,66 34.294,67 3.304,68 36.669,69 5,70 6.9}
{0 CHEMBL1971186,4 1,5 2,6 4,8 43.158,9 4.679,10 4.679,11 7.679,12 4.679,14 4.17,16 12.8,18 14.072,19 19.41,20 0.054,21 0.016,22 0.459,24 1,25 17.1,26 -0.146,27 2,28 0.699,29 2,30 8.201,31 5.368,32 12.057,33 12.057,34 12.057,35 20.144,36 18.65,38 1.043,39 1.044,40 5.416,41 7.535,42 3,43 2,44 7.02,45 7.02,46 30.662,47 3.328,48 5.328,49 3.328,50 17.439,51 41.439,52 0.448,53 1,54 1,55 1,56 6,57 3.838,58 0.265,59 15.656,60 3.325,61 3.325,62 5.325,63 3.325,64 3,65 3,66 34.869,67 4.083,68 37.352,69 4,70 5.5}
{0 CHEMBL1971245,4 1,5 2,6 4,8 16.427,9 4.651,10 4.651,11 7.651,12 4.651,14 4.147,16 14.3,17 129.411,18 14.055,19 19.199,20 0.061,21 0.018,22 0.629,23 1,24 2,25 17.061,26 -0.043,27 1,28 0.896,29 2,30 7.437,31 5.028,32 11.96,33 11.96,34 11.96,35 20.085,36 18.605,38 1.056,39 1.031,40 4.844,41 7.066,43 1,44 7,45 7,46 40.887,47 3.578,48 5.578,49 3.578,50 24.418,51 33.806,52 0.352,53 1,54 2,55 3,56 8,57 3.861,58 0.243,59 15.637,60 3.306,61 3.306,62 5.306,63 3.306,64 3,65 3,66 34.776,67 4.56,68 37.246,69 2,70 5.5}
{0 CHEMBL1971430,4 2,5 3,6 9,8 1.899,9 4.221,10 4.221,11 7.221,12 4.221,14 4.041,16 8.5,18 13.291,19 19.432,20 0.065,21 0.024,25 16.095,26 0.02,28 1.292,29 6,30 7.428,31 6.467,32 11.818,33 11.818,34 11.818,35 18.911,36 17.594,38 1.028,39 0.994,44 6.981,45 6.981,46 20.542,47 3.812,48 5.812,49 3.812,50 18.954,51 62.583,52 0.438,54 5,55 2,56 5,57 4.06,58 0.361,59 14.863,60 3.295,61 3.295,62 5.295,63 3.295,64 1,65 1,66 34.602,67 2.816,68 37.06,69 1,70 5.5}
{0 CHEMBL1971649,4 3,5 9,6 9,8 19.236,9 4.521,10 4.521,11 7.521,12 4.521,14 4.09,16 10.6,18 13.934,19 18.303,20 0.079,21 0.024,22 1.374,24 4,25 16.872,26 0.041,28 0.882,29 2,30 8.201,31 5.794,32 10.897,33 10.897,34 10.897,35 19.823,36 18.393,38 0.917,39 1.034,44 6.738,45 6.738,46 22.095,47 3.575,48 5.575,49 3.575,50 17.267,51 51.339,52 0.346,53 2,54 9,56 5,57 3.564,58 0.282,59 15.502,60 3.171,61 3.171,62 5.171,63 3.171,64 2,65 2,66 33.545,67 4.425,68 35.906,69 4,70 6.8}
{0 CHEMBL1971694,4 1,5 2,6 4,8 19.616,9 4.208,10 4.208,11 7.208,12 4.208,14 3.997,15 17.739,16 11.8,18 13.126,19 15.724,20 0.06,21 0.022,24 2,25 15.962,26 0.007,28 0.469,30 8.201,31 4.802,32 9.472,33 9.472,34 9.472,35 18.801,36 17.428,38 1.047,39 0.968,40 4.727,41 6.783,44 6.244,45 6.244,46 27.733,47 3.113,48 5.113,49 3.113,50 16.976,51 44.401,52 0.426,54 1,56 4,57 3.298,58 0.134,59 14.64,60 2.979,61 2.979,62 4.979,63 2.979,64 2,65 2,66 31.502,67 2.13,68 33.738,69 3,70 5.5}
{0 CHEMBL1971943,1 1,2 1,3 2.967,4 1,5 4,6 2,8 88.139,9 4.584,10 4.584,11 7.584,12 4.584,13 1,14 4.117,15 39.149,16 14.6,17 118.608,18 14.111,19 18.002,20 0.064,21 0.027,22 1.21,23 1,24 5,25 17.079,26 -0.184,27 1,28 0.955,29 4,30 8.211,31 6.573,32 11.096,33 11.096,34 11.096,35 20.059,36 18.601,37 5.799,38 0.922,39 1.039,40 4.727,41 6.823,43 1,44 6.779,45 6.779,46 38.556,47 3.495,48 5.495,49 3.495,50 23.916,51 88.193,52 0.941,53 2,54 4,56 6,57 4.008,58 0.284,59 15.67,60 3.189,61 3.189,62 5.189,63 3.189,64 3,65 3,66 33.875,67 4.111,68 36.256,69 5,70 5.5}
{0 CHEMBL1971951,4 1,5 3,6 3,8 1.899,9 4.12,10 4.12,11 7.12,12 4.12,14 4.026,16 12.2,18 13.04,19 17.693,20 0.074,21 0.03,24 1,25 15.832,26 0.033,28 0.931,29 7,30 7.437,31 4.716,32 10.71,33 10.71,34 10.71,35 18.626,36 17.301,38 1.141,39 0.999,42 3,44 6.664,45 6.664,46 19.117,47 3.563,48 5.563,49 3.563,50 15.665,51 32.027,52 0.233,54 4,55 2,56 5,57 3.432,58 0.185,59 14.568,60 3.133,61 3.133,62 5.133,63 3.133,64 2,65 2,66 33.29,67 2.29,68 35.642,69 1,70 5.5}
{0 CHEMBL1972119,4 1,5 3,6 3,8 8.932,9 4.572,10 4.572,11 7.572,12 4.572,14 4.092,16 10.4,18 13.881,19 20.345,20 0.071,21 0.026,22 -0.034,24 1,25 16.86,26 -0.023,28 1.118,29 1,30 8.513,31 5.457,32 12.505,33 12.505,34 12.505,35 19.855,36 18.392,38 1.034,39 1.006,44 7.295,45 7.295,46 39.846,47 4.47,48 6.47,49 4.47,50 26.632,51 98.098,52 0.946,53 2,54 6,55 1,56 5,57 3.7,58 0.21,59 15.448,60 3.417,61 3.417,62 5.417,63 3.417,64 2,65 2,66 35.421,67 3.502,68 37.933,69 3,70 5.5}
{0 CHEMBL1972125,2 1,3 3.28,4 3,5 6,6 12,8 13.915,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.132,16 6.6,17 162.841,18 14.028,19 17.488,20 0.074,21 0.024,22 2.275,23 1,24 2,25 16.95,26 0.042,27 1,28 1.174,29 11,30 7.427,31 5.971,32 10.408,33 10.408,34 10.408,35 19.877,36 18.462,38 1.076,39 1.032,40 4.727,41 6.823,43 1,44 6.605,45 6.605,46 11.877,47 3.609,48 5.609,49 3.609,50 13.045,51 65.025,52 0.351,53 2,54 4,55 1,56 4,57 3.978,58 0.28,59 15.594,60 3.109,61 3.109,62 5.109,63 3.109,64 1,65 1,66 33.507,67 5.182,68 35.827,69 6,70 5.6}
{0 CHEMBL1972142,2 1,3 3.085,4 2,5 3,6 9,8 11.771,9 4.391,10 4.391,11 7.391,12 4.391,13 1,14 4.118,16 7.1,17 101.42,18 13.645,19 16.18,20 0.07,21 0.028,22 1.914,23 1,25 16.542,26 0.088,27 1,28 0.802,29 9,30 7.429,31 5.441,32 9.665,33 9.665,34 9.665,35 19.445,36 18.051,38 0.923,39 1.047,40 4.595,41 6.581,43 1,44 6.316,45 6.316,46 9.649,47 3.564,48 5.564,49 3.564,50 7.745,51 37.662,52 0.21,53 2,54 5,55 1,56 3,57 3.484,58 0.212,59 15.213,60 3.028,61 3.028,62 5.028,63 3.028,64 1,65 1,66 32.111,67 4.073,68 34.341,69 4,70 5.5}
{0 CHEMBL1972158,3 2.826,4 3,5 5,6 13,8 2.757,9 4.529,10 4.529,11 7.529,12 4.529,13 1,14 4.138,16 13,17 109.427,18 14.095,19 18.911,20 0.064,21 0.018,22 1.716,23 1,25 17.062,26 0.197,28 0.778,29 13,30 5.25,31 2.02,32 11.647,33 11.647,34 11.647,35 20.032,36 18.585,38 0.967,39 1.074,40 5.416,41 7.516,44 6.914,45 6.914,46 16.058,47 3.293,48 5.293,49 3.293,50 11.544,51 27.612,52 0.195,53 2,54 4,55 4,56 6,57 3.902,58 0.204,59 15.665,60 3.256,61 3.256,62 5.256,63 3.256,64 3,65 3,66 34.509,67 4.142,68 36.943,69 2,70 5.8}
{0 CHEMBL1972221,3 2.902,4 2,5 5,6 7,8 4.472,9 4.52,10 4.52,11 7.52,12 4.52,13 1,14 4.137,16 8.2,17 119.985,18 14.328,19 17.775,20 0.081,21 0.027,22 1.649,23 1,24 1,25 17.316,26 -0.111,28 0.955,29 8,30 7.716,31 4.866,32 11.041,33 11.041,34 11.041,35 20.307,36 18.831,38 1.062,39 0.993,40 4.727,41 6.823,44 6.74,45 6.74,46 13.959,47 4.458,48 6.458,49 4.458,50 13.507,51 71.846,52 0.483,53 2,54 5,56 4,57 3.631,58 0.313,59 15.868,60 3.216,61 3.216,62 5.216,63 3.216,64 1,65 1,66 34.044,67 3.376,68 36.42,69 6,70 5.5}
{0 CHEMBL1972258,9 3.726,10 3.726,11 6.726,12 3.726,14 3.954,16 8.3,18 12.083,19 13.339,20 0.037,21 0.015,24 1,25 14.732,26 -0.097,28 0.271,29 3,30 5.019,31 2.053,32 7.764,33 7.764,34 7.764,35 17.363,36 16.271,38 1.157,39 0.956,44 5.607,45 5.607,46 7.519,47 2.928,48 4.928,49 2.928,50 6.973,51 26.346,52 0.187,55 1,56 3,57 3.078,58 0.074,59 13.748,60 2.711,61 2.711,62 4.711,63 2.711,64 2,65 2,66 28.918,67 2.776,68 30.926,69 1,70 5.5}
{0 CHEMBL1972276,3 3.216,4 1,5 3,6 3,8 4.472,9 4.567,10 4.567,11 7.567,12 4.567,13 1,14 4.131,16 11.3,17 113.501,18 13.838,19 17.909,20 0.068,21 0.023,22 1.333,23 1,25 16.83,26 0.088,28 0.747,29 3,30 7.437,31 4.592,32 10.846,33 10.846,34 10.846,35 19.832,36 18.362,38 0.856,39 0.981,40 4.727,41 6.862,44 6.694,45 6.694,46 26.405,47 3.546,48 5.546,49 3.546,50 18.827,51 45.41,52 0.348,53 2,54 4,55 1,56 6,57 3.581,58 0.229,59 15.407,60 3.182,61 3.182,62 5.182,63 3.182,64 2,65 2,66 33.457,67 3.336,68 35.821,69 4,70 5.5}
{0 CHEMBL1972290,1 1,2 1,3 3.154,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.128,15 39.149,16 14.7,17 72.142,18 13.761,19 18.107,20 0.059,21 0.02,22 1.909,23 1,25 16.752,26 -0.084,27 1,28 0.472,29 3,30 5.106,31 1.978,32 10.927,33 10.927,34 10.927,35 19.746,36 18.283,37 6.089,38 1.037,39 1.031,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 13.675,47 3.201,48 5.201,49 3.201,50 9.044,51 19.283,52 0.195,53 2,54 6,55 1,56 5,57 3.36,58 0.084,59 15.334,60 3.166,61 3.166,62 5.166,63 3.166,64 2,65 2,66 33.502,67 3.207,68 35.882,69 3,70 7.6}
{0 CHEMBL1972339,3 3.013,4 3,5 6,6 12,8 20.474,9 4.529,10 4.529,11 7.529,12 4.529,13 1,14 4.143,16 10.6,17 114.66,18 14.127,19 18.912,20 0.071,21 0.02,22 1.955,23 1,24 1,25 17.086,26 0.148,28 0.889,29 14,30 8.201,31 5.534,32 11.648,33 11.648,34 11.648,35 20.05,36 18.605,38 0.972,39 1.06,40 5.416,41 7.516,44 6.914,45 6.914,46 15.69,47 3.298,48 5.298,49 3.298,50 12.434,51 37.369,52 0.284,53 2,54 2,55 2,56 5,57 4.019,58 0.294,59 15.691,60 3.257,61 3.257,62 5.257,63 3.257,64 3,65 3,66 34.511,67 4.149,68 36.944,69 2,70 6.2}
{0 CHEMBL1972489,3 2.779,4 2,5 5,6 7,8 11.771,9 4.366,10 4.366,11 7.366,12 4.366,13 1,14 4.093,16 10.3,17 75.878,18 13.483,19 15.612,20 0.077,21 0.027,22 1.818,23 1,24 2,25 16.386,26 -0.115,27 1,28 0.462,29 5,30 7.429,31 5.017,32 9.286,33 9.286,34 9.286,35 19.295,36 17.889,37 5.786,38 0.961,39 1.034,40 4.595,41 6.581,43 1,44 6.201,45 6.201,46 11.333,47 3.573,48 5.573,49 3.573,50 9.121,51 28.351,52 0.272,53 2,54 4,55 1,56 3,57 3.043,58 0.107,59 15.037,60 2.961,61 2.961,62 4.961,63 2.961,64 1,65 1,66 31.534,67 3.009,68 33.732,69 4,70 5.5}
{0 CHEMBL1972576,4 2,5 4,6 8,8 18.375,9 4.613,10 4.613,11 7.613,12 4.613,14 4.07,15 31.278,16 12.5,17 141.027,18 13.967,19 18.549,20 0.068,21 0.018,22 1.206,23 1,24 3,25 16.955,26 -0.055,27 1,28 0.639,29 4,30 7.432,31 5.636,32 11.41,33 11.41,34 11.41,35 19.964,36 18.495,38 0.838,39 1.027,40 4.727,41 6.862,43 1,44 6.87,45 6.87,46 32.993,47 3.621,48 5.621,49 3.621,50 24.83,51 41.091,52 0.38,53 2,54 7,55 2,56 6,57 3.759,58 0.264,59 15.545,60 3.22,61 3.22,62 5.22,63 3.22,64 2,65 2,66 34.097,67 4.005,68 36.524,69 8,70 5.5}
{0 CHEMBL1972584,2 1,4 2,5 4,6 8,8 7.229,9 4.731,10 4.731,11 7.731,12 4.731,14 4.172,16 11.1,17 406.52,18 14.632,19 19.668,20 0.082,21 0.027,22 3.538,23 2,24 1,25 17.684,26 0.015,28 1.751,29 6,30 7.431,31 6.123,32 12.141,33 12.141,34 12.141,35 20.747,36 19.236,38 0.943,39 1.023,40 5.533,41 7.751,42 6,44 7.049,45 7.049,46 40.174,47 3.67,48 5.67,49 3.67,50 33.225,51 76.121,52 0.56,53 4,54 3,55 1,56 9,57 4.3,58 0.453,59 16.21,60 3.345,61 3.345,62 5.345,63 3.345,64 3,65 3,66 35.232,67 5.144,68 37.696,69 3,70 5.5}
{0 CHEMBL1972659,4 3,5 7,6 9,9 4.432,10 4.432,11 7.432,12 4.432,14 4.099,16 4.1,18 13.9,19 18.278,20 0.085,21 0.024,22 2.225,24 1,25 16.839,26 0.275,28 0.757,29 7,30 7.429,31 5.474,32 10.929,33 10.929,34 10.929,35 19.778,36 18.347,38 0.865,39 0.996,42 3,44 6.743,45 6.743,46 17.39,47 3.623,48 5.623,49 3.623,50 16.025,51 34.519,52 0.206,53 2,54 7,56 2,57 3.445,58 0.218,59 15.452,60 3.17,61 3.17,62 5.17,63 3.17,66 33.831,67 4.008,68 36.194,69 3,70 5.5}
{0 CHEMBL1972820,4 2,5 5,6 7,9 4.195,10 4.195,11 7.195,12 4.195,14 4.05,16 3.3,17 81.114,18 13.378,19 19.657,20 0.092,21 0.034,23 1,24 2,25 16.207,26 -0.196,28 0.788,29 6,30 7.475,31 5.245,32 12.132,33 12.132,34 12.132,35 19.037,36 17.671,38 1.025,39 0.943,40 4.949,41 7.209,44 7.078,45 7.078,46 17.04,47 3.982,48 5.982,49 3.982,50 14.19,51 135.961,52 0.786,54 3,56 1,57 3.061,58 0.202,59 14.887,60 3.36,61 3.36,62 5.36,63 3.36,66 34.985,67 2.532,68 37.468,69 3,70 5.5}
{0 CHEMBL1972849,4 1,5 3,6 3,8 56.219,9 4.711,10 4.711,11 7.711,12 4.711,14 4.198,16 13,17 104.558,18 14.594,19 20.845,20 0.09,21 0.027,22 0.739,23 1,24 2,25 17.629,26 -0.104,27 2,28 1.341,29 5,30 8.211,31 6.543,32 12.968,33 12.968,34 12.968,35 20.672,36 19.171,38 1.153,39 0.995,40 5.82,41 7.947,43 2,44 7.422,45 7.422,46 6.882,47 3.665,48 5.665,49 3.665,50 8.912,51 134.313,52 1.264,53 2,56 6,57 4.061,58 0.56,59 16.162,60 3.465,61 3.465,62 5.465,63 3.465,64 4,65 4,66 36.23,67 5,68 38.768,69 1,70 5.5}
{0 CHEMBL1972937,4 2,5 3,6 9,8 0.693,9 3.813,10 3.813,11 6.813,12 3.813,14 3.968,15 32.22,16 5.6,18 12.603,19 15.528,20 0.042,21 0.024,24 2,25 15.252,26 0.083,28 0.619,29 3,30 7.429,31 5.021,32 9.246,33 9.246,34 9.246,35 17.893,36 16.723,38 1.091,39 0.993,40 4.727,41 6.783,44 6.18,45 6.18,46 15.016,47 4.69,48 6.69,49 4.69,50 13.776,51 26.084,52 0.183,54 3,55 1,56 2,57 3.347,58 0.117,59 14.166,60 2.978,61 2.978,62 4.978,63 2.978,66 31.254,67 3.236,68 33.448,69 1,70 5.8}
{0 CHEMBL1972988,1 1,2 1,3 3.091,8 53.992,9 4.531,10 4.531,11 7.531,12 4.531,13 1,14 4.12,15 39.149,16 17.4,17 52.273,18 13.688,19 18.054,20 0.071,21 0.016,22 1.865,23 1,25 16.691,26 0.259,27 1,28 0.24,29 2,30 5.146,31 1.725,32 10.902,33 10.902,34 10.902,35 19.693,36 18.227,37 5.836,38 0.974,39 1.052,40 4.727,41 6.843,43 1,44 6.709,45 6.709,46 0.641,47 3.176,48 5.176,49 3.176,50 1.601,51 13.833,52 0.188,53 2,54 2,56 4,57 2.584,58 0.02,59 15.271,60 3.156,61 3.156,62 5.156,63 3.156,64 3,65 3,66 33.459,67 3.181,68 35.84,69 2,70 6.3}
{0 CHEMBL1973098,4 1,5 3,6 3,9 3.938,10 3.938,11 6.938,12 3.938,14 3.953,15 77.412,16 3.8,18 12.639,19 15.413,20 0.08,21 0.028,24 2,25 15.341,26 0.129,28 0.452,29 1,30 7.429,31 4.442,32 9.153,33 9.153,34 9.153,35 18.044,36 16.764,38 1.015,39 0.927,40 4.727,41 6.763,44 6.165,45 6.165,46 8.549,47 4.866,48 6.866,49 4.866,50 10.189,51 38.074,52 0.296,54 2,55 1,56 1,57 3.193,58 0.132,59 14.115,60 2.967,61 2.967,62 4.967,63 2.967,66 31.392,67 1.909,68 33.576,69 2,70 7}
{0 CHEMBL1973142,4 1,5 4,6 2,8 2.104,9 4.715,10 4.715,11 7.715,12 4.715,14 4.097,15 31.278,16 7.7,17 67.037,18 14.024,19 19.378,20 0.087,21 0.044,22 1.278,23 1,24 3,25 17.099,26 0.092,28 1.053,29 2,30 7.438,31 4.374,32 11.956,33 11.956,34 11.956,35 20.184,36 18.656,37 12.033,38 1.3,39 0.987,40 4.844,41 7.066,44 7.012,45 7.012,46 15.227,47 3.653,48 5.653,49 3.653,50 11.831,51 41.474,52 0.35,53 2,54 3,56 2,57 3.054,59 15.6,60 3.324,61 3.324,62 5.324,63 3.324,66 34.752,67 2.323,68 37.227,69 2,70 6.6}
{0 CHEMBL1973145,4 2,5 4,6 8,8 20.274,9 4.649,10 4.649,11 7.649,12 4.649,14 4.097,15 31.278,16 13,17 122.805,18 14.036,19 18.713,20 0.061,21 0.026,22 1.539,23 1,24 2,25 17.041,26 0.017,27 1,28 0.858,29 2,30 7.431,31 5.193,32 11.528,33 11.528,34 11.528,35 20.067,36 18.587,38 0.918,39 1.044,40 4.727,41 6.862,43 1,44 6.892,45 6.892,46 29.218,47 3.563,48 5.563,49 3.563,50 20.473,51 33.276,52 0.23,53 2,54 11,56 6,57 3.508,58 0.205,59 15.617,60 3.246,61 3.246,62 5.246,63 3.246,64 2,65 2,66 34.242,67 4.115,68 36.679,69 5,70 5.5}
{0 CHEMBL1973211,4 2,5 4,6 8,8 53.182,9 4.712,10 4.712,11 7.712,12 4.712,14 4.119,15 31.278,16 8.1,17 157.728,18 14.155,19 19.202,20 0.062,21 0.024,22 1.988,23 1,24 2,25 17.186,26 -0.112,27 1,28 1.084,29 8,30 7.431,31 5.373,32 11.822,33 11.822,34 11.822,35 20.237,36 18.743,38 0.941,39 1.032,40 5.283,41 7.31,42 2,43 1,44 6.972,45 6.972,46 33.376,47 3.563,48 5.563,49 3.563,50 27.434,51 41.404,52 0.206,53 2,54 10,56 5,57 4.03,58 0.36,59 15.749,60 3.286,61 3.286,62 5.286,63 3.286,64 1,65 1,66 34.601,67 5.021,68 37.062,69 5,70 5.9}
{0 CHEMBL1973348,2 1,3 3.277,4 3,5 7,6 11,8 13.915,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.132,16 6.6,17 168.468,18 14.068,19 17.54,20 0.075,21 0.024,22 2.261,23 1,24 3,25 16.983,26 0.043,27 1,28 1.229,29 11,30 7.427,31 6.064,32 10.428,33 10.428,34 10.428,35 19.905,36 18.491,37 6.062,38 1.044,39 1.029,40 4.727,41 6.823,43 1,44 6.609,45 6.609,46 12.518,47 3.613,48 5.613,49 3.613,50 14.646,51 68.185,52 0.378,53 2,54 4,55 1,56 4,57 4.138,58 0.35,59 15.627,60 3.115,61 3.115,62 5.115,63 3.115,64 1,65 1,66 33.524,67 5.231,68 35.844,69 6,70 5.5}
{0 CHEMBL1973483,4 1,5 3,6 3,8 6.604,9 4.476,10 4.476,11 7.476,12 4.476,14 4.086,16 10.5,18 13.82,19 18.841,20 0.084,21 0.034,22 0.215,24 1,25 16.739,26 0.167,28 1.229,29 1,30 8.517,31 5.069,32 11.72,33 11.72,34 11.72,35 19.673,36 18.246,38 0.992,39 1.004,44 7.121,45 7.121,46 28.555,47 4.461,48 6.461,49 4.461,50 20.633,51 235.47,52 1.501,53 2,54 6,56 4,57 3.797,58 0.32,59 15.365,60 3.335,61 3.335,62 5.335,63 3.335,64 2,65 2,66 35.206,67 3.365,68 37.655,69 3,70 5.5}
{0 CHEMBL1973540,2 1,3 2.947,4 2,5 6,6 6,8 5.218,9 4.865,10 4.865,11 7.865,12 4.865,13 1,14 4.197,15 31.278,16 10.9,17 233.655,18 14.888,19 19.919,20 0.078,21 0.028,22 3.441,23 2,24 2,25 17.994,26 0.059,28 1.132,29 6,30 7.717,31 5.516,32 12.508,33 12.508,34 12.508,35 21.11,36 19.567,38 0.982,39 1.049,40 5.416,41 7.535,44 7.308,45 7.308,46 15.28,47 4.686,48 6.686,49 4.686,50 15.046,51 64.305,52 0.61,53 4,54 5,56 5,57 3.789,58 0.272,59 16.482,60 3.392,61 3.392,62 5.392,63 3.392,64 2,65 2,66 35.796,67 5.649,68 38.304,69 5,70 6.9}
{0 CHEMBL1973720,1 1,2 1,3 3.163,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.125,15 39.149,16 14,17 90.419,18 13.769,19 18.109,20 0.058,21 0.017,22 1.847,23 1,25 16.756,26 0.133,27 1,28 0.507,29 2,30 5.14,31 2.111,32 10.928,33 10.928,34 10.928,35 19.748,36 18.285,37 6.222,38 0.903,39 1.02,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 21.907,47 3.205,48 5.205,49 3.205,50 14.25,51 38.759,52 0.372,53 2,54 5,55 3,56 6,57 3.713,58 0.218,59 15.34,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.51,67 3.213,68 35.889,69 6,70 7.4}
{0 CHEMBL1973808,3 2.861,4 2,5 5,6 7,8 2.144,9 4.366,10 4.366,11 7.366,12 4.366,13 1,14 4.099,16 10.3,17 75.878,18 13.483,19 15.612,20 0.077,21 0.027,22 1.887,23 1,24 2,25 16.386,26 0.01,28 0.462,29 6,30 7.429,31 5.022,32 9.286,33 9.286,34 9.286,35 19.295,36 17.889,37 5.787,38 0.945,39 1.034,40 4.595,41 6.581,44 6.201,45 6.201,46 11.333,47 3.573,48 5.573,49 3.573,50 9.121,51 30.578,52 0.274,53 2,54 2,55 1,56 3,57 3.051,58 0.107,59 15.037,60 2.961,61 2.961,62 4.961,63 2.961,64 1,65 1,66 31.534,67 3.009,68 33.732,69 5,70 5.5}
{0 CHEMBL1973860,4 1,5 3,6 3,8 25.87,9 4.397,10 4.397,11 7.397,12 4.397,14 4.098,15 31.278,16 6.1,18 13.495,19 16.099,20 0.063,21 0.022,22 2.271,25 16.422,26 -0.22,27 2,28 0.438,29 4,30 6.456,31 2.821,32 9.639,33 9.639,34 9.639,35 19.352,36 17.93,38 1.029,39 0.992,40 4.443,41 6.293,43 2,44 6.304,45 6.304,46 11.409,47 3.033,48 5.033,49 3.033,50 7.215,51 18.121,52 0.102,53 2,54 2,56 2,57 3.096,58 0.074,59 15.054,60 3.021,61 3.021,62 5.021,63 3.021,64 1,65 1,66 31.927,67 3.068,68 34.164,69 1,70 5.5}
{0 CHEMBL1973893,3 2.878,4 2,5 5,6 7,8 4.472,9 4.52,10 4.52,11 7.52,12 4.52,13 1,14 4.136,16 8.7,17 114.45,18 14.327,19 17.763,20 0.078,21 0.029,22 1.631,23 1,24 1,25 17.315,26 -0.119,28 0.955,29 7,30 7.716,31 4.841,32 11.041,33 11.041,34 11.041,35 20.307,36 18.83,38 1.092,39 0.999,40 4.727,41 6.823,44 6.74,45 6.74,46 13.234,47 4.458,48 6.458,49 4.458,50 12.295,51 58.699,52 0.425,53 2,54 5,56 4,57 3.554,58 0.293,59 15.866,60 3.216,61 3.216,62 5.216,63 3.216,64 1,65 1,66 34.042,67 3.381,68 36.418,69 6,70 5.5}
{0 CHEMBL1973937,3 2.851,4 3,5 8,6 10,8 4.276,9 4.692,10 4.692,11 7.692,12 4.692,13 1,14 4.14,15 45.954,16 10.9,17 121.988,18 14.11,19 19.119,20 0.071,21 0.027,22 1.777,23 1,24 3,25 17.135,26 0.003,28 0.959,29 5,30 7.431,31 5.204,32 11.747,33 11.747,34 11.747,35 20.18,36 18.687,38 0.975,39 1.046,40 4.727,41 6.843,44 6.958,45 6.958,46 24.276,47 3.563,48 5.563,49 3.563,50 18.955,51 31.156,52 0.221,53 2,54 14,56 5,57 3.595,58 0.24,59 15.695,60 3.274,61 3.274,62 5.274,63 3.274,64 1,65 1,66 34.509,67 4.078,68 36.965,69 6,70 5.5}
{0 CHEMBL1973961,3 2.873,4 3,5 9,6 9,8 29.92,9 4.507,10 4.507,11 7.507,12 4.507,13 1,14 4.126,16 7.9,17 159.659,18 14.017,19 17.414,20 0.07,21 0.028,22 1.364,23 1,24 4,25 16.94,26 -0.13,28 1.396,29 7,30 8.211,31 6.174,32 10.46,33 10.46,34 10.46,35 19.876,36 18.446,38 0.897,39 1.015,40 4.727,41 6.823,44 6.576,45 6.576,46 50.483,47 3.622,48 5.622,49 3.622,50 34.471,51 108.289,52 0.862,53 2,54 7,56 5,57 4.19,58 0.549,59 15.563,60 3.13,61 3.13,62 5.13,63 3.13,64 1,65 1,66 33.394,67 4.183,68 35.707,69 3,70 5.4}
{0 CHEMBL1974250,4 1,5 1,6 5,7 1,9 4.636,10 4.636,11 7.636,12 4.636,14 4.125,16 12.2,17 103.125,18 13.977,19 18.537,20 0.072,21 0.029,22 0.294,23 1,25 16.99,26 -0.139,28 0.958,29 4,30 7.429,31 5.556,32 11.217,33 11.217,34 11.217,35 20.017,36 18.538,38 0.834,39 1.001,40 4.727,41 6.862,44 6.807,45 6.807,46 10.812,47 3.608,48 5.608,49 3.608,50 9.902,51 56.07,52 0.524,53 1,54 4,55 1,56 5,57 3.653,58 0.167,59 15.567,60 3.235,61 3.235,62 5.235,63 3.235,64 3,65 3,66 33.905,67 3.903,68 36.306,69 3,70 7.7}
{0 CHEMBL1974254,4 2,5 4,6 8,8 30.892,9 4.726,10 4.726,11 7.726,12 4.726,14 4.139,15 31.278,16 10.2,17 157.782,18 14.269,19 19.547,20 0.069,21 0.026,22 1.989,23 1,24 3,25 17.283,26 0.067,27 2,28 1.313,29 7,30 7.431,31 5.416,32 11.979,33 11.979,34 11.979,35 20.322,36 18.83,38 1.038,39 1.029,40 5.352,41 7.424,43 2,44 7.013,45 7.013,46 29.144,47 3.562,48 5.562,49 3.562,50 23.439,51 31.388,52 0.209,53 2,54 8,55 3,56 6,57 3.941,58 0.3,59 15.846,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.819,67 5.043,68 37.288,69 5,70 5.5}
{0 CHEMBL1974288,4 2,5 3,6 9,9 3.926,10 3.926,11 6.926,12 3.926,14 4.014,16 4.8,18 12.739,19 15.711,20 0.078,21 0.028,25 15.441,26 -0.025,28 0.806,29 6,30 7.429,31 5.403,32 9.268,33 9.268,34 9.268,35 18.133,36 16.944,38 0.94,39 0.959,44 6.215,45 6.215,46 11.475,47 3.589,48 5.589,49 3.589,50 8.463,51 41.258,52 0.171,54 6,56 2,57 3.346,58 0.156,59 14.343,60 2.947,61 2.947,62 4.947,63 2.947,64 1,65 1,66 31.821,67 2.98,68 34.018,69 2,70 5.5}
{0 CHEMBL1974310,4 1,5 2,6 4,8 17.064,9 4.573,10 4.573,11 7.573,12 4.573,14 4.105,15 31.278,16 7.1,17 68.146,18 13.823,19 18.197,20 0.081,21 0.026,22 1.788,23 1,24 1,25 16.822,26 -0.037,28 0.58,29 4,30 8.201,31 4.952,32 10.992,33 10.992,34 10.992,35 19.83,36 18.357,38 1.174,39 1.046,40 4.727,41 6.862,44 6.728,45 6.728,46 3.014,47 3.519,48 5.519,49 3.519,50 4.452,51 39.324,52 0.23,53 2,54 1,56 2,57 2.986,58 0.121,59 15.395,60 3.189,61 3.189,62 5.189,63 3.189,64 1,65 1,66 33.596,67 3.268,68 35.98,70 6.4}
{0 CHEMBL1974328,4 1,5 2,6 4,7 1,8 4.656,9 4.022,10 4.022,11 7.022,12 4.022,14 3.99,16 12.2,18 12.85,19 16.567,20 0.066,21 0.024,24 1,25 15.585,26 0.028,28 0.764,30 7.437,31 4.672,32 9.925,33 9.925,34 9.925,35 18.325,36 17.047,38 0.876,39 0.974,42 6,44 6.438,45 6.438,46 44.488,47 3.542,48 5.542,49 3.542,50 25.341,51 59.772,52 0.467,54 4,56 6,57 3.677,58 0.312,59 14.377,60 3.031,61 3.031,62 5.031,63 3.031,64 2,65 2,66 32.308,67 2.265,68 34.573,69 4,70 6.1}
{0 CHEMBL1974416,2 1,3 3.082,4 2,5 4,6 8,8 41.691,9 4.555,10 4.555,11 7.555,12 4.555,13 1,14 4.138,16 7.7,17 102.957,18 14.001,19 18.076,20 0.081,21 0.02,22 1.479,23 1,24 3,25 16.968,26 0.005,27 1,28 0.671,29 5,30 8.239,31 5.787,32 10.945,33 10.945,34 10.945,35 19.944,36 18.493,38 1.005,39 1.057,40 4.727,41 6.843,43 1,44 6.719,45 6.719,46 12.115,47 3.652,48 5.652,49 3.652,50 9.723,51 86.804,52 0.604,53 2,54 4,55 1,56 3,57 3.6,58 0.267,59 15.569,60 3.173,61 3.173,62 5.173,63 3.173,64 1,65 1,66 33.81,67 4.061,68 36.175,69 4,70 5.5}
{0 CHEMBL1974664,2 1,3 3.331,4 2,5 5,6 7,8 6.616,9 4.841,10 4.841,11 7.841,12 4.841,13 1,14 4.199,16 11.6,17 169.725,18 14.37,19 18.8,20 0.072,21 0.022,22 3.74,23 2,24 2,25 17.471,26 0.149,28 0.622,30 5.163,31 1.8,32 11.456,33 11.456,34 11.456,35 20.585,36 19.05,38 1.109,39 1.018,40 4.844,41 7.066,44 6.858,45 6.858,46 10.44,47 3.272,48 5.272,49 3.272,50 12.326,51 26.499,52 0.316,53 4,54 4,55 1,56 5,57 3.338,58 0.237,59 15.98,60 3.256,61 3.256,62 5.256,63 3.256,64 2,65 2,66 34.195,67 4.919,68 36.618,69 2,70 5.5}
{0 CHEMBL1974702,4 1,5 4,6 2,8 2.104,9 4.759,10 4.759,11 7.759,12 4.759,14 4.108,15 77.232,16 4.5,17 83.604,18 14.111,19 19.56,20 0.084,21 0.035,22 1.718,23 2,24 3,25 17.204,26 0.062,28 0.597,29 2,30 7.433,31 4.737,32 12.098,33 12.098,34 12.098,35 20.306,36 18.769,37 6.167,38 1.549,39 1.033,40 4.844,41 7.096,44 7.044,45 7.044,46 13.388,47 3.789,48 5.789,49 3.789,50 11.76,51 24.941,52 0.284,53 2,56 1,57 2.353,59 15.695,60 3.353,61 3.353,62 5.353,63 3.353,66 34.92,67 2.633,68 37.406,70 7}
{0 CHEMBL1974803,4 2,5 7,6 5,7 1,9 4.386,10 4.386,11 7.386,12 4.386,14 4.051,16 3.3,18 13.64,19 19.837,20 0.08,21 0.03,24 5,25 16.531,26 0.076,28 1.153,29 6,30 7.431,31 4.94,32 12.301,33 12.301,34 12.301,35 19.432,36 18.019,37 18.075,38 1.162,39 0.96,44 7.104,45 7.104,46 17.351,47 3.703,48 5.703,49 3.703,50 15.484,51 80.127,52 0.65,54 6,56 1,57 3.844,58 0.082,59 15.165,60 3.353,61 3.353,62 5.353,63 3.353,66 35.157,67 2.67,68 37.658,69 5,70 5.9}
{0 CHEMBL1974870,3 3.01,4 2,5 5,6 7,8 2.757,9 4.51,10 4.51,11 7.51,12 4.51,13 1,14 4.123,16 8.2,17 118.625,18 13.836,19 16.757,20 0.067,21 0.023,22 2.056,23 1,24 2,25 16.782,26 0.069,28 0.774,29 3,30 5.097,31 2.39,32 10.231,33 10.231,34 10.231,35 19.739,36 18.305,37 6.029,38 1.038,39 1.011,40 4.727,41 6.804,44 6.522,45 6.522,46 11.022,47 3.148,48 5.148,49 3.148,50 12.618,51 36.574,52 0.257,53 2,54 4,55 1,56 4,57 3.685,58 0.201,59 15.407,60 3.103,61 3.103,62 5.103,63 3.103,64 2,65 2,66 32.728,67 4.081,68 35.026,69 3,70 7.1}
{0 CHEMBL1974935,2 1,3 3.284,4 1,5 2,6 4,8 13.915,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.129,16 8,17 126.087,18 13.68,19 17.025,20 0.054,21 0.019,22 2.339,23 1,24 1,25 16.63,26 -0.019,27 1,28 0.577,29 4,30 5.054,31 2.38,32 10.301,33 10.301,34 10.301,35 19.586,36 18.161,38 1.069,39 1.014,40 4.727,41 6.823,43 1,44 6.533,45 6.533,46 7.94,47 3.162,48 5.162,49 3.162,50 8.592,51 32.462,52 0.223,53 2,54 2,56 4,57 3.615,58 0.153,59 15.271,60 3.072,61 3.072,62 5.072,63 3.072,64 2,65 2,66 32.68,67 4.588,68 35,69 4,70 5.5}
{0 CHEMBL1975121,4 2,5 4,6 8,9 3.927,10 3.927,11 6.927,12 3.927,14 4.016,16 4.4,18 12.887,19 15.639,20 0.08,21 0.031,24 1,25 15.591,26 0.032,28 0.896,29 9,30 7.429,31 5.478,32 9.158,33 9.158,34 9.158,35 18.287,36 17.076,38 1.025,39 0.971,44 6.185,45 6.185,46 18.055,47 3.586,48 5.586,49 3.586,50 13.021,51 37.238,52 0.166,54 3,56 2,57 3.406,58 0.185,59 14.463,60 2.944,61 2.944,62 4.944,63 2.944,64 1,65 1,66 31.683,67 3.072,68 33.863,69 3,70 5.5}
{0 CHEMBL1975128,3 2.792,4 2,5 4,6 8,9 4.521,10 4.521,11 7.521,12 4.521,13 1,14 4.122,15 56.782,16 16.7,17 89.691,18 13.969,19 17.875,20 0.078,21 0.024,22 1.744,23 1,25 16.93,26 0.235,28 0.66,29 5,30 5.248,31 1.907,32 10.675,33 10.675,34 10.675,35 19.895,36 18.444,38 1.123,39 1.074,40 5.416,41 7.496,44 6.666,45 6.666,46 14.467,47 3.33,48 5.33,49 3.33,50 11.612,51 23.997,52 0.199,53 2,54 4,55 4,56 6,57 4.284,58 0.056,59 15.524,60 3.173,61 3.173,62 5.173,63 3.173,64 3,65 3,66 33.488,67 3.915,68 35.828,69 2,70 5.8}
{0 CHEMBL1975138,4 3,5 4,6 14,7 1,8 15.245,9 4.137,10 4.137,11 7.137,12 4.137,14 4.013,15 45.192,16 6.5,18 13.085,19 23.242,20 0.092,21 0.014,24 2,25 15.862,26 0.045,28 0.604,29 10,30 8.201,31 5.907,32 15.289,33 15.289,34 15.289,35 18.65,36 17.355,38 1.016,39 0.948,44 8.082,45 8.082,46 21.497,47 4.38,48 6.38,49 4.38,50 18.565,51 73.552,52 0.498,54 12,56 3,57 3.877,58 0.276,59 14.65,60 3.655,61 3.655,62 5.655,63 3.655,66 38.18,67 2.117,68 40.907,69 4,70 5.5}
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{0 CHEMBL1975233,4 1,5 4,6 2,8 6.604,9 4.052,10 4.052,11 7.052,12 4.052,14 3.96,16 14.7,18 12.969,19 16.216,20 0.079,21 0.029,24 3,25 15.714,26 0.009,28 0.694,30 7.431,31 4.947,32 9.513,33 9.513,34 9.513,35 18.464,36 17.171,37 6.04,38 1.039,39 0.941,44 6.281,45 6.281,46 26.657,47 4.057,48 6.057,49 4.057,50 20.274,51 46.056,52 0.499,54 3,56 5,57 3.315,58 0.193,59 14.487,60 3.003,61 3.003,62 5.003,63 3.003,64 2,65 2,66 31.619,67 2.365,68 33.842,69 1,70 5.5}
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{0 CHEMBL1975490,4 3,5 8,6 10,8 4.836,9 4.403,10 4.403,11 7.403,12 4.403,14 4.102,16 7.5,17 264.631,18 13.991,19 18.644,20 0.059,21 0.025,22 1.543,23 2,24 2,25 16.914,26 -0.127,28 1.084,29 6,30 7.429,31 5.248,32 11.269,33 11.269,34 11.269,35 19.84,36 18.418,38 1.063,39 1.042,40 5.416,41 7.516,44 6.813,45 6.813,46 35.393,47 3.659,48 5.659,49 3.659,50 24.205,51 45.388,52 0.372,53 2,54 5,56 4,57 3.801,58 0.279,59 15.541,60 3.23,61 3.23,62 5.23,63 3.23,64 1,65 1,66 34.023,67 4.41,68 36.421,69 5,70 6.1}
{0 CHEMBL1975500,4 3,5 9,6 9,7 1,9 4.157,10 4.157,11 7.157,12 4.157,14 4.072,16 6.9,18 13.612,19 17.218,20 0.085,21 0.024,24 5,25 16.395,26 -0.046,28 1.167,29 10,30 7.434,31 5.872,32 10.356,33 10.356,34 10.356,35 19.181,36 17.851,38 0.961,39 0.976,40 2.708,41 5.38,44 6.546,45 6.546,46 39.986,47 3.629,48 5.629,49 3.629,50 29.191,51 83.209,52 0.639,54 8,55 2,56 4,57 4.064,58 0.395,59 15.119,60 3.143,61 3.143,62 5.143,63 3.143,66 33.128,67 3.61,68 35.418,69 8,70 5.5}
{0 CHEMBL1975534,2 1,8 14.099,9 4.679,10 4.679,11 7.679,12 4.679,14 4.11,15 56.782,16 15.6,17 68.69,18 13.894,19 18.624,20 0.099,21 0.035,22 1.391,23 1,24 1,25 16.977,26 -0.152,27 1,28 0.591,30 6.494,31 3.781,32 11.489,33 11.489,34 11.489,35 20.061,36 18.535,38 1.044,39 0.905,40 4.844,41 7.034,43 1,44 6.89,45 6.89,46 9.918,47 3.376,48 5.376,49 3.376,50 10.63,51 71.964,52 0.593,53 2,54 1,55 2,56 5,57 3.771,58 0.078,59 15.477,60 3.253,61 3.253,62 5.253,63 3.253,64 2,65 2,66 34.191,67 2.093,68 36.626,69 1,70 5.5}
{0 CHEMBL1975647,4 1,5 3,6 3,8 21.564,9 4.528,10 4.528,11 7.528,12 4.528,14 4.075,16 16.1,18 13.664,19 17.842,20 0.065,21 0.019,22 0.724,24 2,25 16.662,26 0.093,28 0.444,29 1,30 8.201,31 5.641,32 10.72,33 10.72,34 10.72,35 19.666,36 18.206,38 0.952,39 1.016,44 6.669,45 6.669,46 18.993,47 3.571,48 5.571,49 3.571,50 13.35,51 37.144,52 0.39,53 2,54 3,56 5,57 3.176,58 0.107,59 15.258,60 3.122,61 3.122,62 5.122,63 3.122,64 3,65 3,66 33.226,67 3.282,68 35.588,69 2,70 5.6}
{0 CHEMBL1975900,4 1,5 3,6 3,9 4.157,10 4.157,11 7.157,12 4.157,14 3.999,16 8.8,18 13.294,19 19.621,20 0.088,21 0.03,24 3,25 16.094,26 0.015,28 0.785,30 7.501,31 4.735,32 11.621,33 11.621,34 11.621,35 18.893,36 17.554,37 11.816,38 1.049,39 1.001,44 6.95,45 6.95,46 27.533,47 3.967,48 5.967,49 3.967,50 17.812,51 49.141,52 0.479,54 1,55 1,56 3,57 3.609,58 0.25,59 14.808,60 3.297,61 3.297,62 5.297,63 3.297,64 1,65 1,66 34.356,67 2.381,68 36.796,69 3,70 5.5}
{0 CHEMBL1976090,7 1,8 5.402,9 4.893,10 4.893,11 7.893,12 4.893,14 4.139,15 31.278,16 28.6,17 69.685,18 14.349,19 19.176,20 0.08,21 0.024,22 3.066,23 2,25 17.505,26 0.272,28 0.264,30 5.289,31 1.771,32 11.831,33 11.831,34 11.831,35 20.667,36 19.102,38 1.28,39 1.091,40 4.844,41 7.081,44 6.972,45 6.972,46 5,47 3.321,48 5.321,49 3.321,50 6.325,51 19.365,52 0.202,53 4,54 2,56 6,57 0.847,59 15.97,60 3.303,61 3.303,62 5.303,63 3.303,64 4,65 4,66 34.602,67 3.261,68 37.067,69 1,70 6}
{0 CHEMBL1976093,4 1,5 2,6 4,8 31.387,9 4.662,10 4.662,11 7.662,12 4.662,14 4.152,16 12.3,17 127.033,18 14.063,19 19.398,20 0.068,21 0.019,22 0.692,23 1,24 1,25 17.073,26 -0.248,27 1,28 0.924,29 2,30 8.201,31 5.476,32 12.053,33 12.053,34 12.053,35 20.104,36 18.62,38 0.68,39 0.975,40 4.844,41 7.066,43 1,44 7.018,45 7.018,46 21.18,47 3.323,48 5.323,49 3.323,50 14.469,51 59.607,52 0.569,53 1,54 1,56 7,57 4.018,58 0.406,59 15.645,60 3.319,61 3.319,62 5.319,63 3.319,64 4,65 4,66 35.107,67 4.315,68 37.572,69 1,70 5.5}
{0 CHEMBL1976134,2 1,3 5.967,4 1,5 3,6 3,8 23.542,9 4.435,10 4.435,11 7.435,12 4.435,13 2,14 4.147,16 14.3,17 117.653,18 13.996,19 16.266,20 0.074,21 0.023,22 4.13,23 2,25 16.96,26 -0.236,27 2,28 0.368,29 4,30 5.121,31 1.401,32 9.751,33 9.751,34 9.751,35 19.917,36 18.473,38 0.934,39 1.127,40 5.283,41 7.273,43 2,44 6.341,45 6.341,47 3.051,48 5.051,49 3.051,51 14.527,52 0.1,53 4,54 3,55 1,56 4,57 2.78,58 0.082,59 15.555,60 3.051,61 3.051,62 5.051,63 3.051,64 2,65 2,66 32.305,67 4.027,68 34.548,69 3,70 5.9}
{0 CHEMBL1976220,4 2,5 4,6 8,8 19.121,9 4.626,10 4.626,11 7.626,12 4.626,14 4.105,15 77.232,16 9.5,17 118.128,18 13.979,19 18.662,20 0.063,21 0.023,22 2.073,23 1,24 3,25 16.981,26 -0.055,27 1,28 0.723,29 4,30 7.431,31 5.166,32 11.489,33 11.489,34 11.489,35 20,36 18.526,38 0.943,39 1.052,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 22.806,47 3.563,48 5.563,49 3.563,50 16.529,51 23.564,52 0.193,53 2,54 10,56 4,57 3.598,58 0.193,59 15.563,60 3.229,61 3.229,62 5.229,63 3.229,64 1,65 1,66 34.194,67 4.106,68 36.628,69 5,70 5.5}
{0 CHEMBL1976240,4 2,5 4,6 8,9 3.927,10 3.927,11 6.927,12 3.927,14 4.017,16 6.4,18 12.894,19 15.833,20 0.078,21 0.028,24 1,25 15.598,26 -0.014,28 0.924,29 6,30 7.429,31 5.582,32 9.343,33 9.343,34 9.343,35 18.294,36 17.082,38 1.009,39 0.976,44 6.23,45 6.23,46 17.698,47 3.589,48 5.589,49 3.589,50 12.88,51 41.018,52 0.191,54 5,56 3,57 3.538,58 0.205,59 14.468,60 2.96,61 2.96,62 4.96,63 2.96,64 1,65 1,66 31.913,67 3.037,68 34.114,69 2,70 5.5}
{0 CHEMBL1976420,2 1,3 3.353,4 1,5 2,6 4,8 2.757,9 4.607,10 4.607,11 7.607,12 4.607,13 1,14 4.135,16 7.5,17 83.199,18 13.939,19 19.023,20 0.092,21 0.032,22 1.748,23 1,25 16.944,26 -0.096,28 0.733,29 7,30 6.449,31 4.038,32 11.665,33 11.665,34 11.665,35 19.96,36 18.479,38 0.957,39 0.942,40 4.844,41 7.05,44 7.112,45 7.112,46 11.206,47 3.701,48 5.701,49 3.701,50 9.966,51 30.673,52 0.179,53 2,54 5,56 3,57 3.071,58 0.326,59 15.507,60 3.322,61 3.322,62 5.322,63 3.322,64 2,65 2,66 34.955,67 3.189,68 37.398,69 5,70 5.5}
{0 CHEMBL1976455,4 1,5 3,6 3,8 6.604,9 4.48,10 4.48,11 7.48,12 4.48,14 4.085,16 14.7,18 13.662,19 18.78,20 0.072,21 0.033,22 0.516,24 1,25 16.61,26 -0.194,28 0.986,29 1,30 8.513,31 4.975,32 11.736,33 11.736,34 11.736,35 19.572,36 18.135,38 0.909,39 1.007,44 7.123,45 7.123,46 22.484,47 4.461,48 6.461,49 4.461,50 16.178,51 115.069,52 0.865,53 2,54 4,56 5,57 3.492,58 0.132,59 15.233,60 3.339,61 3.339,62 5.339,63 3.339,64 3,65 3,66 34.61,67 3.251,68 37.054,69 2,70 5.9}
{0 CHEMBL1976732,4 1,5 3,6 3,8 56.219,9 4.707,10 4.707,11 7.707,12 4.707,14 4.196,16 13,17 105.387,18 14.55,19 19.696,20 0.073,21 0.029,22 0.742,23 1,24 2,25 17.58,26 -0.064,27 2,28 1.515,29 3,30 8.211,31 6.527,32 12.172,33 12.172,34 12.172,35 20.618,36 19.12,38 1.024,39 0.99,40 5.82,41 7.934,43 2,44 7.052,45 7.052,46 6.358,47 3.433,48 5.433,49 3.433,50 8.643,51 117.363,52 1.048,53 2,56 6,57 4.055,58 0.472,59 16.118,60 3.353,61 3.353,62 5.353,63 3.353,64 4,65 4,66 35.199,67 5,68 37.667,69 3,70 5.5}
{0 CHEMBL1976936,1 1,2 1,3 3.125,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.122,15 39.149,16 11.9,17 89.587,18 13.77,19 18.11,20 0.053,21 0.019,22 1.75,23 1,25 16.756,26 0.076,27 1,28 0.563,29 3,30 6.449,31 3.825,32 10.928,33 10.928,34 10.928,35 19.749,36 18.285,37 6.198,38 0.957,39 0.979,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 22.275,47 3.205,48 5.205,49 3.205,50 13.245,51 47.692,52 0.515,53 2,54 5,55 1,56 5,57 3.718,58 0.185,59 15.34,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.513,67 3.213,68 35.891,69 7,70 6.8}
{0 CHEMBL1977128,3 2.871,4 3,5 6,6 12,8 11.771,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.132,16 14.3,17 134.817,18 13.997,19 17.295,20 0.062,21 0.023,22 1.469,23 1,25 16.921,26 0.27,27 1,28 1.011,29 4,30 7.429,31 5.662,32 10.481,33 10.481,34 10.481,35 19.86,36 18.434,38 0.906,39 1.042,40 5.352,41 7.402,43 1,44 6.577,45 6.577,46 26.594,47 4.058,48 6.058,49 4.058,50 19.226,51 53.143,52 0.386,53 2,54 7,55 4,56 7,57 3.863,58 0.247,59 15.556,60 3.137,61 3.137,62 5.137,63 3.137,64 3,65 3,66 33.111,67 5.146,68 35.426,69 3,70 7.3}
{0 CHEMBL1977135,4 2,5 3,6 9,9 3.925,10 3.925,11 6.925,12 3.925,14 4.009,16 5.3,18 12.667,19 15.281,20 0.072,21 0.027,25 15.37,26 -0.015,28 0.604,29 6,30 7.429,31 5.145,32 9.109,33 9.109,34 9.109,35 18.064,36 16.884,38 0.851,39 1.005,44 6.165,45 6.165,46 9.649,47 3.561,48 5.561,49 3.561,50 7.745,51 34.473,52 0.162,54 4,56 2,57 3.164,58 0.086,59 14.288,60 2.911,61 2.911,62 4.911,63 2.911,64 1,65 1,66 31.253,67 3.057,68 33.431,69 2,70 5.5}
{0 CHEMBL1977148,4 2,5 4,6 8,8 30.892,9 4.726,10 4.726,11 7.726,12 4.726,14 4.141,15 31.278,16 10,17 161.407,18 14.274,19 19.548,20 0.067,21 0.027,22 1.896,23 1,24 3,25 17.287,26 0.048,27 2,28 1.366,29 5,30 7.431,31 5.387,32 11.98,33 11.98,34 11.98,35 20.325,36 18.833,38 0.999,39 1.008,40 5.352,41 7.434,43 2,44 7.013,45 7.013,46 27.981,47 3.562,48 5.562,49 3.562,50 23.252,51 40.536,52 0.355,53 2,54 8,55 3,56 6,57 4.055,58 0.364,59 15.85,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.822,67 5.096,68 37.29,69 5,70 5.5}
{0 CHEMBL1977223,3 2.896,4 2,5 4,6 8,8 11.771,9 4.521,10 4.521,11 7.521,12 4.521,13 1,14 4.128,16 12.8,17 112.253,18 13.844,19 17.206,20 0.06,21 0.022,22 1.65,23 1,25 16.797,26 0.278,27 1,28 0.764,29 3,30 7.429,31 4.901,32 10.467,33 10.467,34 10.467,35 19.763,36 18.316,38 0.947,39 1.015,40 5.352,41 7.402,43 1,44 6.573,45 6.573,46 24.041,47 3.598,48 5.598,49 3.598,50 16.433,51 40.401,52 0.314,53 2,54 6,55 4,56 6,57 3.619,58 0.138,59 15.404,60 3.131,61 3.131,62 5.131,63 3.131,64 3,65 3,66 33.023,67 4.045,68 35.346,69 3,70 6.8}
{0 CHEMBL1977346,4 1,5 2,6 4,8 3.559,9 4.069,10 4.069,11 7.069,12 4.069,14 4.002,15 56.782,16 16.7,18 12.957,19 17.04,20 0.074,21 0.016,24 2,25 15.734,26 0.228,28 0.313,29 4,30 7.429,31 4.998,32 10.276,33 10.276,34 10.276,35 18.508,36 17.2,38 1.37,39 1.058,40 2.708,41 5.38,44 6.526,45 6.526,46 26.983,47 3.625,48 5.625,49 3.625,50 16.723,51 29.846,52 0.345,54 2,56 4,57 3.267,58 0.031,59 14.487,60 3.106,61 3.106,62 5.106,63 3.106,64 2,65 2,66 32.731,67 2.582,68 35.038,69 4,70 5.6}
{0 CHEMBL1977681,3 2.824,4 1,5 2,6 4,7 1,8 19.075,9 4.622,10 4.622,11 7.622,12 4.622,13 1,14 4.13,15 31.278,16 10.3,18 13.942,19 18.66,20 0.089,21 0.027,22 1.45,24 1,25 16.959,26 -0.114,28 0.615,29 4,30 8.201,31 5.789,32 11.281,33 11.281,34 11.281,35 19.986,36 18.496,38 1.093,39 1.037,40 5.416,41 7.526,44 6.817,45 6.817,46 3.854,47 3.568,48 5.568,49 3.568,50 5.985,51 51.297,52 0.407,53 2,54 3,56 3,57 2.858,58 0.078,59 15.508,60 3.241,61 3.241,62 5.241,63 3.241,64 1,65 1,66 33.982,67 3.043,68 36.389,69 2,70 6.3}
{0 CHEMBL1978014,4 2,5 4,6 8,8 16.243,9 4.655,10 4.655,11 7.655,12 4.655,14 4.153,16 12.5,17 127.282,18 14.088,19 18.96,20 0.071,21 0.025,22 1.498,23 1,25 17.092,26 0.102,27 1,28 1.115,29 7,30 7.427,31 6.066,32 11.454,33 11.454,34 11.454,35 20.114,36 18.629,38 1.07,39 1.019,40 5.416,41 7.526,42 2,43 1,44 6.875,45 6.875,46 38.364,47 3.822,48 5.822,49 3.822,50 25.777,51 53.787,52 0.372,53 2,54 2,55 2,56 7,57 3.82,58 0.337,59 15.655,60 3.274,61 3.274,62 5.274,63 3.274,64 3,65 3,66 34.227,67 4.032,68 36.643,69 1,70 5.5}
{0 CHEMBL1978099,4 2,5 5,6 7,8 19.187,9 4.71,10 4.71,11 7.71,12 4.71,14 4.085,16 11.3,18 14.242,19 19.593,20 0.079,21 0.024,24 5,25 17.25,26 -0.041,28 1.028,30 8.201,31 6.215,32 12.181,33 12.181,34 12.181,35 20.284,36 18.787,38 0.938,39 0.981,44 7.24,45 7.24,46 45.182,47 4.685,48 6.685,49 4.685,50 30.639,51 83.441,52 0.756,54 3,55 2,56 6,57 3.973,58 0.386,59 15.797,60 3.377,61 3.377,62 5.377,63 3.377,64 2,65 2,66 35.016,67 3.563,68 37.51,69 4,70 5.9}
{0 CHEMBL1978200,4 1,5 3,6 3,8 46.347,9 4.727,10 4.727,11 7.727,12 4.727,14 4.161,16 11.3,17 123.693,18 14.25,19 19.882,20 0.071,21 0.029,22 0.548,23 1,24 2,25 17.277,26 -0.065,27 1,28 1.448,29 2,30 8.211,31 6.645,32 12.286,33 12.286,34 12.286,35 20.325,36 18.827,38 0.971,39 0.958,40 4.844,41 7.081,43 1,44 7.084,45 7.084,46 21.151,47 3.41,48 5.41,49 3.41,50 16.821,51 116.13,52 0.898,53 1,54 3,56 6,57 4.156,58 0.463,59 15.828,60 3.365,61 3.365,62 5.365,63 3.365,64 4,65 4,66 35.206,67 4.323,68 37.694,69 4,70 5.5}
{0 CHEMBL1978448,2 1,4 1,5 3,6 3,8 14.528,9 4.522,10 4.522,11 7.522,12 4.522,14 4.122,16 7.5,17 75.402,18 14.119,19 19.848,20 0.08,21 0.02,23 1,24 2,25 17.074,26 -0.157,27 1,28 0.563,29 8,30 7.716,31 4.982,32 12.29,33 12.29,34 12.29,35 20.038,36 18.568,38 1.086,39 1.031,40 5.82,41 7.689,42 3,43 1,44 7.258,45 7.258,46 34.46,47 4.387,48 6.387,49 4.387,50 23.193,51 63.558,52 0.396,54 2,56 3,57 3.494,58 0.277,59 15.628,60 3.398,61 3.398,62 5.398,63 3.398,66 35.398,67 2.377,68 37.883,69 1,70 7.2}
{0 CHEMBL1978645,2 1,4 5,5 10,6 18,8 4.901,9 4.831,10 4.831,11 7.831,12 4.831,14 4.194,16 2.7,17 167.982,18 14.686,19 20.693,20 0.068,21 0.025,22 3.975,23 1,24 3,25 17.747,26 0.065,28 1.771,29 18,30 7.475,31 5.88,32 12.916,33 12.916,34 12.916,35 20.823,36 19.31,38 1.032,39 1.021,40 4.949,41 7.248,44 7.249,45 7.249,46 36.362,47 3.703,48 5.703,49 3.703,50 26.75,51 42.998,52 0.426,53 4,54 5,55 2,56 2,57 4.458,58 0.652,59 16.281,60 3.447,61 3.447,62 5.447,63 3.447,66 35.897,67 5.323,68 38.437,69 3,70 5.5}
{0 CHEMBL1979057,3 3.261,4 3,5 7,6 11,8 2.144,9 4.403,10 4.403,11 7.403,12 4.403,13 1,14 4.115,16 9.5,17 210.376,18 13.93,19 18.516,20 0.067,21 0.025,22 1.937,23 2,24 1,25 16.851,26 -0.076,28 0.747,29 6,30 7.429,31 4.849,32 11.163,33 11.163,34 11.163,35 19.772,36 18.355,38 0.988,39 1.096,40 5.416,41 7.516,44 6.792,45 6.792,46 27.874,47 3.65,48 5.65,49 3.65,50 17.232,51 30.624,52 0.159,53 2,54 9,56 4,57 3.319,58 0.17,59 15.484,60 3.199,61 3.199,62 5.199,63 3.199,64 1,65 1,66 33.905,67 4.448,68 36.292,69 5,70 5.6}
{0 CHEMBL1979093,4 3,5 9,6 9,8 26.4,9 4.696,10 4.696,11 7.696,12 4.696,14 4.123,16 8.2,17 133.699,18 14.182,19 19.209,20 0.08,21 0.031,22 1.142,23 1,24 4,25 17.196,26 0.125,28 1.212,29 2,30 8.201,31 5.352,32 11.808,33 11.808,34 11.808,35 20.232,36 18.742,38 0.996,39 1.013,40 4.727,41 6.843,44 6.969,45 6.969,46 28.768,47 3.564,48 5.564,49 3.564,50 21.901,51 60.723,52 0.589,53 2,54 8,56 4,57 3.626,58 0.302,59 15.757,60 3.282,61 3.282,62 5.282,63 3.282,64 1,65 1,66 34.589,67 4.084,68 37.048,69 5,70 6.5}
{0 CHEMBL1979176,4 1,5 3,6 3,8 6.604,9 4.462,10 4.462,11 7.462,12 4.462,14 4.076,16 10.3,18 13.724,19 18.67,20 0.072,21 0.029,22 1.25,24 2,25 16.655,26 0.201,28 0.938,30 8.513,31 5.121,32 11.69,33 11.69,34 11.69,35 19.598,36 18.17,38 0.908,39 0.99,44 7.116,45 7.116,46 29.053,47 4.46,48 6.46,49 4.46,50 20.491,51 105.24,52 0.901,53 2,54 6,56 4,57 3.612,58 0.222,59 15.283,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 34.582,67 3.355,68 37.021,69 3,70 5.5}
{0 CHEMBL1979252,4 1,5 2,6 4,9 4.157,10 4.157,11 7.157,12 4.157,14 4.006,16 8.1,18 13.314,19 19.69,20 0.084,21 0.033,24 1,25 16.105,26 -0.011,28 1.028,30 8.513,31 4.718,32 11.69,33 11.69,34 11.69,35 18.898,36 17.561,38 0.938,39 1,44 7.116,45 7.116,46 31.28,47 4.46,48 6.46,49 4.46,50 20.099,51 136.943,52 0.929,54 2,55 1,56 3,57 3.557,58 0.358,59 14.822,60 3.321,61 3.321,62 5.321,63 3.321,64 1,65 1,66 35.079,67 2.418,68 37.529,69 3,70 5.5}
{0 CHEMBL1979318,3 2.894,4 1,5 2,6 4,8 7.571,9 4.243,10 4.243,11 7.243,12 4.243,13 1,14 4.059,15 56.782,16 12.9,17 69.679,18 13.373,19 19.961,20 0.083,21 0.033,23 1,24 1,25 16.204,26 -0.083,28 1.118,29 3,30 6.82,31 3.437,32 12.411,33 12.411,34 12.411,35 19.036,36 17.659,38 1.289,39 1.021,40 4.727,41 6.823,44 7.125,45 7.125,46 15.449,47 4.156,48 6.156,49 4.156,50 14.138,51 47.523,52 0.278,54 4,56 4,57 2.819,59 14.871,60 3.361,61 3.361,62 5.361,63 3.361,64 1,65 1,66 35.278,67 2.559,68 37.789,69 3,70 5.5}
{0 CHEMBL1979357,2 1,4 1,5 2,6 4,8 13.915,9 4.612,10 4.612,11 7.612,12 4.612,14 4.157,16 8.2,17 109.464,18 13.937,19 19.085,20 0.065,21 0.024,22 2.459,23 1,25 16.942,26 -0.091,27 1,28 0.921,29 10,30 5.038,31 2.19,32 11.561,33 11.561,34 11.561,35 19.96,36 18.489,38 1.013,39 1.021,40 4.844,41 7.034,43 1,44 6.895,45 6.895,46 16.54,47 3.475,48 5.475,49 3.475,50 11.192,51 26.757,52 0.151,53 2,54 2,56 4,57 3.65,58 0.207,59 15.529,60 3.267,61 3.267,62 5.267,63 3.267,64 2,65 2,66 34.321,67 4.656,68 36.754,69 1,70 5.5}
{0 CHEMBL1979516,4 2,5 4,6 8,7 1,8 34.081,9 4.717,10 4.717,11 7.717,12 4.717,14 4.121,15 31.278,16 9.6,17 142.495,18 14.176,19 19.464,20 0.073,21 0.029,22 1.499,23 1,24 3,25 17.205,26 -0.061,27 1,28 1.257,29 4,30 8.201,31 5.361,32 11.945,33 11.945,34 11.945,35 20.256,36 18.757,38 1.067,39 1.023,40 4.727,41 6.88,43 1,44 7.007,45 7.007,46 28.471,47 3.605,48 5.605,49 3.605,50 22.451,51 59.26,52 0.525,53 2,54 11,56 5,57 3.82,58 0.263,59 15.759,60 3.308,61 3.308,62 5.308,63 3.308,64 1,65 1,66 34.764,67 4.284,68 37.232,69 7,70 5.7}
{0 CHEMBL1979577,4 2,5 4,6 8,8 53.182,9 4.712,10 4.712,11 7.712,12 4.712,14 4.119,15 31.278,16 8.6,17 148.776,18 14.189,19 19.207,20 0.068,21 0.03,22 1.855,23 1,24 2,25 17.208,26 0.006,27 1,28 1.337,29 6,30 7.431,31 5.329,32 11.822,33 11.822,34 11.822,35 20.252,36 18.761,38 1.006,39 1.003,40 4.727,41 6.88,43 1,44 6.973,45 6.973,46 31.4,47 3.714,48 5.714,49 3.714,50 23.654,51 43.008,52 0.203,53 2,54 11,56 5,57 3.917,58 0.349,59 15.776,60 3.289,61 3.289,62 5.289,63 3.289,64 1,65 1,66 34.687,67 4.781,68 37.136,69 8,70 6.1}
{0 CHEMBL1979855,4 3,5 5,6 11,8 4.276,9 4.432,10 4.432,11 7.432,12 4.432,14 4.104,16 9.8,18 14.03,19 19.067,20 0.078,21 0.027,22 1.96,24 2,25 16.942,26 -0.148,28 1.421,29 6,30 7.432,31 6.003,32 11.838,33 11.838,34 11.838,35 19.86,36 18.439,38 0.939,39 0.976,40 4.727,41 6.862,44 7.139,45 7.139,46 34.309,47 4.045,48 6.045,49 4.045,50 26.894,51 76.524,52 0.471,53 2,54 10,55 1,56 6,57 4.192,58 0.64,59 15.569,60 3.367,61 3.367,62 5.367,63 3.367,64 1,65 1,66 34.836,67 4.522,68 37.273,69 4,70 5.5}
{0 CHEMBL1979883,4 2,5 4,6 8,8 53.182,9 4.712,10 4.712,11 7.712,12 4.712,14 4.118,15 31.278,16 8.6,17 149.353,18 14.153,19 19.202,20 0.067,21 0.026,22 1.943,23 1,24 2,25 17.185,26 -0.152,27 1,28 1.115,29 6,30 7.431,31 5.331,32 11.822,33 11.822,34 11.822,35 20.237,36 18.743,38 0.941,39 1.011,40 4.727,41 6.88,43 1,44 6.972,45 6.972,46 29.841,47 3.563,48 5.563,49 3.563,50 24.272,51 41.353,52 0.203,53 2,54 10,56 5,57 3.957,58 0.403,59 15.748,60 3.286,61 3.286,62 5.286,63 3.286,64 1,65 1,66 34.6,67 4.781,68 37.061,69 5,70 6}
{0 CHEMBL1979933,4 2,5 4,6 8,8 18.758,9 3.951,10 3.951,11 6.951,12 3.951,14 3.975,16 13.9,18 12.946,19 16.379,20 0.051,21 0.021,24 3,25 15.662,26 -0.206,28 0.597,30 8.201,31 5.196,32 9.816,33 9.816,34 9.816,35 18.369,36 17.143,38 0.894,39 0.974,44 6.417,45 6.417,46 41.975,47 3.608,48 5.608,49 3.608,50 22.879,51 50.591,52 0.587,54 4,56 5,57 3.454,58 0.176,59 14.513,60 2.986,61 2.986,62 4.986,63 2.986,64 3,65 3,66 32.06,67 3.471,68 34.322,69 5,70 7.4}
{0 CHEMBL1979970,3 2.655,4 1,5 3,6 3,8 29.92,9 4.527,10 4.527,11 7.527,12 4.527,13 1,14 4.099,16 13.9,17 88.662,18 13.901,19 17.759,20 0.089,21 0.027,22 0.75,23 1,24 2,25 16.872,26 -0.01,28 0.781,29 4,30 8.239,31 5.888,32 10.642,33 10.642,34 10.642,35 19.848,36 18.39,38 0.987,39 1,40 4.727,41 6.823,44 6.645,45 6.645,46 11.42,47 3.598,48 5.598,49 3.598,50 10.255,51 76.948,52 0.684,53 2,54 2,56 5,57 3.518,58 0.205,59 15.456,60 3.162,61 3.162,62 5.162,63 3.162,64 3,65 3,66 33.483,67 3.249,68 35.823,69 3,70 5.7}
{0 CHEMBL1980142,4 1,5 3,6 3,8 6.604,9 4.572,10 4.572,11 7.572,12 4.572,14 4.091,16 10.5,18 13.942,19 20.345,20 0.084,21 0.031,22 -0.352,24 1,25 16.911,26 0.098,28 1.222,29 1,30 8.517,31 5.094,32 12.505,33 12.505,34 12.505,35 19.896,36 18.436,38 1.004,39 1.004,44 7.295,45 7.295,46 28.555,47 4.47,48 6.47,49 4.47,50 20.633,51 211.244,52 1.426,53 2,54 6,56 4,57 3.705,58 0.255,59 15.5,60 3.417,61 3.417,62 5.417,63 3.417,64 2,65 2,66 35.726,67 3.429,68 38.226,69 3,70 5.5}
{0 CHEMBL1980144,4 2,5 4,6 8,8 18.375,9 4.613,10 4.613,11 7.613,12 4.613,14 4.07,15 31.278,16 12.5,17 139.549,18 14.004,19 18.549,20 0.072,21 0.016,22 1.207,23 1,24 3,25 16.989,26 0.038,27 1,28 0.583,29 4,30 7.432,31 5.644,32 11.41,33 11.41,34 11.41,35 19.993,36 18.525,38 0.809,39 1.027,40 4.727,41 6.862,43 1,44 6.87,45 6.87,46 30.732,47 3.621,48 5.621,49 3.621,50 22.999,51 40.185,52 0.391,53 2,54 7,55 2,56 6,57 3.748,58 0.226,59 15.578,60 3.22,61 3.22,62 5.22,63 3.22,64 2,65 2,66 34.116,67 4.044,68 36.539,69 8,70 5.5}
{0 CHEMBL1980163,4 3,5 5,6 13,8 2.328,9 4.433,10 4.433,11 7.433,12 4.433,14 4.067,16 7.1,18 13.572,19 17.075,20 0.054,21 0.016,22 1.914,24 2,25 16.508,26 -0.072,28 0.451,29 10,30 5.083,31 2.314,32 10.241,33 10.241,34 10.241,35 19.45,36 18.045,38 1.002,39 1.031,44 6.515,45 6.515,46 26.812,47 3.112,48 5.112,49 3.112,50 17.031,51 27.596,52 0.22,53 2,54 2,56 3,57 3.366,58 0.151,59 15.178,60 3.046,61 3.046,62 5.046,63 3.046,64 2,65 2,66 32.594,67 4.334,68 34.908,69 3,70 5.5}
{0 CHEMBL1980178,1 1,2 1,3 3.156,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.125,15 39.149,16 12.5,17 105.493,18 13.78,19 18.11,20 0.048,21 0.02,22 1.795,23 1,25 16.761,26 0.093,27 1,28 0.736,29 3,30 7.43,31 4.323,32 10.928,33 10.928,34 10.928,35 19.75,36 18.288,37 6.259,38 0.911,39 0.996,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 31.666,47 3.533,48 5.533,49 3.533,50 17.927,51 43.173,52 0.44,53 2,54 7,55 1,56 6,57 3.84,58 0.222,59 15.346,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.518,67 3.279,68 35.895,69 7,70 7}
{0 CHEMBL1980253,1 1,2 1,3 3.155,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.124,15 39.149,16 12.8,17 84.619,18 13.767,19 18.109,20 0.049,21 0.016,22 1.843,23 1,25 16.755,26 -0.001,27 1,28 0.451,29 2,30 5.139,31 2.083,32 10.928,33 10.928,34 10.928,35 19.748,36 18.285,37 6.194,38 0.94,39 1.019,40 4.727,41 6.843,42 3,43 1,44 6.714,45 6.714,46 26.305,47 3.205,48 5.205,49 3.205,50 15.401,51 29.434,52 0.414,53 2,54 5,55 1,56 5,57 3.652,58 0.14,59 15.338,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.509,67 3.215,68 35.888,69 4,70 6.9}
{0 CHEMBL1980297,4 2,5 4,6 8,8 45.852,9 4.726,10 4.726,11 7.726,12 4.726,14 4.141,15 31.278,16 10.7,17 153.48,18 14.273,19 19.548,20 0.065,21 0.027,22 1.847,23 1,24 3,25 17.287,26 0.01,27 2,28 1.359,29 5,30 8.201,31 5.319,32 11.98,33 11.98,34 11.98,35 20.326,36 18.834,38 1.041,39 1.023,40 5.352,41 7.434,43 2,44 7.013,45 7.013,46 25.279,47 3.563,48 5.563,49 3.563,50 20.566,51 46.078,52 0.465,53 2,54 9,55 2,56 6,57 4.004,58 0.364,59 15.85,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.822,67 5.074,68 37.29,69 5,70 6.8}
{0 CHEMBL1980391,3 2.91,4 2,5 6,6 6,8 14.96,9 4.309,10 4.309,11 7.309,12 4.309,13 1,14 4.077,16 10.3,18 13.745,19 18.747,20 0.087,21 0.027,24 5,25 16.599,26 -0.209,28 1.205,29 7,30 8.201,31 6.373,32 11.359,33 11.359,34 11.359,35 19.454,36 18.069,37 6.373,38 1.026,39 1.035,40 4.844,41 7.002,44 6.833,45 6.833,46 35.694,47 3.476,48 5.476,49 3.476,50 22.242,51 38.785,52 0.479,54 4,56 4,57 4.037,58 0.188,59 15.259,60 3.26,61 3.26,62 5.26,63 3.26,64 1,65 1,66 34.201,67 3.597,68 36.6,69 2,70 5.5}
{0 CHEMBL1980435,3 2.905,4 3,5 6,6 12,8 11.771,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.132,16 11.5,17 134.817,18 13.981,19 17.295,20 0.062,21 0.023,22 1.53,23 1,24 1,25 16.907,26 0.341,27 1,28 1.011,29 4,30 7.429,31 5.716,32 10.481,33 10.481,34 10.481,35 19.848,36 18.42,38 0.944,39 1.033,40 5.352,41 7.402,43 1,44 6.577,45 6.577,46 28.901,47 3.584,48 5.584,49 3.584,50 20.215,51 44.2,52 0.387,53 2,54 6,55 5,56 6,57 3.888,58 0.247,59 15.54,60 3.137,61 3.137,62 5.137,63 3.137,64 3,65 3,66 33.111,67 4.946,68 35.426,69 3,70 7.5}
{0 CHEMBL1980489,4 1,5 2,6 4,9 4.157,10 4.157,11 7.157,12 4.157,14 3.997,16 8.8,18 13.124,19 19.621,20 0.079,21 0.031,24 2,25 15.918,26 -0.006,28 0.785,30 7.501,31 4.694,32 11.621,33 11.621,34 11.621,35 18.717,36 17.389,37 5.825,38 1.02,39 1.004,44 6.95,45 6.95,46 26.297,47 3.967,48 5.967,49 3.967,50 17.245,51 41.839,52 0.397,54 2,55 1,56 3,57 3.44,58 0.205,59 14.655,60 3.297,61 3.297,62 5.297,63 3.297,64 1,65 1,66 34.347,67 2.36,68 36.79,69 3,70 5.5}
{0 CHEMBL1980540,4 1,5 3,6 3,8 6.604,9 4.528,10 4.528,11 7.528,12 4.528,14 4.074,16 11.4,18 13.823,19 18.813,20 0.08,21 0.027,22 1.098,24 2,25 16.787,26 0.258,28 0.799,29 2,30 8.513,31 5.075,32 11.69,33 11.69,34 11.69,35 19.763,36 18.312,37 6.048,38 1.013,39 1.008,44 7.116,45 7.116,46 25.042,47 4.46,48 6.46,49 4.46,50 17.779,51 98.11,52 0.795,53 2,54 5,56 4,57 3.688,58 0.23,59 15.388,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 34.687,67 3.369,68 37.123,69 3,70 5.5}
{0 CHEMBL1980562,1 1,2 1,3 3.139,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.127,15 39.149,16 12.2,17 114.772,18 14.291,19 18.109,20 0.054,21 0.018,22 1.758,23 1,25 17.274,26 0.146,27 1,28 0.653,29 2,30 7.718,31 4.384,32 10.928,33 10.928,34 10.928,35 20.26,36 18.787,37 6.238,38 0.93,39 1.004,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 22.882,47 4.311,48 6.311,49 4.311,50 15.961,51 60.73,52 0.565,53 2,54 5,55 5,56 6,57 3.886,58 0.317,59 15.83,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.823,67 3.334,68 36.187,69 6,70 7.1}
{0 CHEMBL1980592,8 5.634,9 4.462,10 4.462,11 7.462,12 4.462,14 4.091,15 31.278,16 15.6,17 120.517,18 13.797,19 19.638,20 0.074,21 0.038,23 2,25 16.725,26 0.064,28 0.976,29 3,30 7.43,31 5.157,32 12.028,33 12.028,34 12.028,35 19.66,36 18.218,38 0.952,39 1.052,40 5.476,41 7.644,44 7.029,45 7.029,46 20.315,47 3.737,48 5.737,49 3.737,50 13.463,51 20.972,52 0.268,54 2,56 5,57 3.235,58 0.124,59 15.322,60 3.362,61 3.362,62 5.362,63 3.362,64 3,65 3,66 34.873,67 3.032,68 37.346,69 2,70 5.7}
{0 CHEMBL1980704,4 1,5 2,6 4,8 25.686,9 4.859,10 4.859,11 7.859,12 4.859,14 4.2,15 32.22,16 12.5,17 159.053,18 14.625,19 19.394,20 0.063,21 0.016,22 4.211,23 2,25 17.721,26 -0.141,27 2,28 0.476,29 6,30 5.166,31 1.653,32 11.845,33 11.845,34 11.845,35 20.825,36 19.292,38 1.064,39 1.082,40 5.416,41 7.526,43 2,44 6.971,45 6.971,46 5.981,47 4.463,48 6.463,49 4.463,50 7.704,51 17.754,52 0.163,53 4,56 5,57 3.365,58 0.226,59 16.225,60 3.298,61 3.298,62 5.298,63 3.298,64 3,65 3,66 34.668,67 5.182,68 37.124,70 5.5}
{0 CHEMBL1980896,4 2,5 4,6 8,8 2.328,9 4.703,10 4.703,11 7.703,12 4.703,14 4.095,15 77.232,16 9.5,17 122.751,18 14.114,19 19.244,20 0.061,21 0.023,22 1.658,23 1,24 2,25 17.148,26 -0.008,28 0.83,29 8,30 7.429,31 5.287,32 12.049,33 12.049,34 12.049,35 20.201,36 18.704,37 5.968,38 1.178,39 1.04,40 4.844,41 7.05,44 7.034,45 7.034,46 19.516,47 3.629,48 5.629,49 3.629,50 16.823,51 30.433,52 0.288,53 2,54 5,56 4,57 3.692,58 0.242,59 15.703,60 3.312,61 3.312,62 5.312,63 3.312,64 2,65 2,66 34.855,67 4.128,68 37.339,69 4,70 5.5}
{0 CHEMBL1980995,2 2,4 3,5 10,6 8,8 20.348,9 5.285,10 5.285,11 8.285,12 5.285,14 4.366,16 6.6,17 304.128,18 15.361,19 24.331,20 0.069,21 0.027,22 8.778,23 6,25 18.606,26 -0.123,28 2.588,29 19,30 7.429,31 6.322,32 15.502,33 15.502,34 15.502,35 21.871,36 20.245,38 1.062,39 1.089,40 6.009,41 8.32,42 4,43 1,44 8.018,45 8.018,46 43.083,47 4.031,48 6.031,49 4.031,50 28.268,51 43.837,52 0.443,53 8,54 3,55 1,56 4,57 4.425,58 0.411,59 17.009,60 3.785,61 3.785,62 5.785,63 3.785,66 38.547,67 5.329,68 41.264,69 3,70 6.9}
{0 CHEMBL1981047,3 2.97,4 2,5 3,6 9,8 5.085,9 4.109,10 4.109,11 7.109,12 4.109,13 1,14 4.064,16 9.2,18 13.328,19 18.063,20 0.085,21 0.026,24 1,25 16.074,26 -0.085,28 1.302,29 3,30 7.43,31 6.151,32 10.806,33 10.806,34 10.806,35 18.825,36 17.517,38 1.051,39 0.997,40 5.416,41 7.516,44 6.687,45 6.687,46 45.988,47 3.951,48 5.951,49 3.951,50 32.814,51 78.09,52 0.572,54 2,55 1,56 6,57 3.997,58 0.358,59 14.826,60 3.203,61 3.203,62 5.203,63 3.203,64 1,65 1,66 33.747,67 2.989,68 36.087,69 3,70 5.5}
{0 CHEMBL1981079,2 1,3 2.953,4 1,5 3,6 3,8 22.373,9 4.314,10 4.314,11 7.314,12 4.314,13 1,14 4.079,16 14.7,18 13.547,19 18.456,20 0.08,21 0.035,24 2,25 16.402,26 -0.071,28 1.122,29 3,30 8.201,31 6.153,32 11.181,33 11.181,34 11.181,35 19.263,36 17.88,37 5.753,38 0.98,39 1.029,40 4.727,41 6.862,44 6.794,45 6.794,46 6.806,47 3.564,48 5.564,49 3.564,50 9.215,51 66.642,52 0.59,54 4,56 5,57 3.632,58 0.217,59 15.072,60 3.223,61 3.223,62 5.223,63 3.223,64 2,65 2,66 33.866,67 3.063,68 36.262,69 4,70 7.2}
{0 CHEMBL1981410,4 2,5 4,6 8,8 8.932,9 4.102,10 4.102,11 7.102,12 4.102,14 4.016,16 13.2,18 13.426,19 18.668,20 0.074,21 0.028,24 3,25 16.182,26 0.097,28 1.268,30 8.513,31 5.226,32 11.69,33 11.69,34 11.69,35 18.94,36 17.641,38 1.019,39 1.009,40 2.708,41 5.198,42 1,44 7.116,45 7.116,46 51.248,47 4.46,48 6.46,49 4.46,50 32.729,51 92.99,52 0.878,54 7,56 7,57 3.906,58 0.375,59 14.947,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 34.608,67 3.764,68 37.042,69 5,70 5.7}
{0 CHEMBL1981511,4 2,5 5,6 7,9 4.129,10 4.129,11 7.129,12 4.129,14 4.059,16 7.9,18 13.297,19 17.179,20 0.072,21 0.021,24 3,25 16.079,26 -0.038,28 0.629,29 11,30 7.429,31 5.409,32 10.328,33 10.328,34 10.328,35 18.859,36 17.552,38 1.037,39 1.053,40 2.708,41 5.38,44 6.539,45 6.539,46 27.678,47 3.622,48 5.622,49 3.622,50 17.388,51 29.693,52 0.185,54 6,55 1,56 3,57 3.275,58 0.143,59 14.838,60 3.127,61 3.127,62 5.127,63 3.127,64 1,65 1,66 32.931,67 3.531,68 35.23,69 5,70 5.5}
{0 CHEMBL1981720,4 1,5 2,6 4,8 6.604,9 4.432,10 4.432,11 7.432,12 4.432,14 4.069,16 16.1,18 13.456,19 17.066,20 0.054,21 0.018,22 1.703,24 1,25 16.42,26 -0.008,28 0.382,29 1,30 7.431,31 4.915,32 10.233,33 10.233,34 10.233,35 19.385,36 17.957,38 0.911,39 1.015,44 6.513,45 6.513,46 18.33,47 3.569,48 5.569,49 3.569,50 11.723,51 23.22,52 0.245,53 2,54 4,56 5,57 3.006,58 0.057,59 15.055,60 3.043,61 3.043,62 5.043,63 3.043,64 3,65 3,66 32.576,67 3.256,68 34.892,69 2,70 5.6}
{0 CHEMBL1981725,4 3,5 6,6 12,8 31.387,9 4.664,10 4.664,11 7.664,12 4.664,14 4.167,16 10.1,17 200.852,18 14.276,19 19.435,20 0.067,21 0.018,22 0.734,23 1,24 4,25 17.24,26 -0.047,27 1,28 1.375,29 12,30 8.201,31 6.209,32 12.06,33 12.06,34 12.06,35 20.229,36 18.777,38 0.893,39 1.041,40 4.844,41 7.066,43 1,44 7.02,45 7.02,46 46.372,47 3.586,48 5.586,49 3.586,50 30.651,51 65.787,52 0.418,53 1,54 4,55 1,56 8,57 4.466,58 0.548,59 15.855,60 3.322,61 3.322,62 5.322,63 3.322,64 3,65 3,66 34.915,67 6.788,68 37.387,69 4,70 6}
{0 CHEMBL1981782,3 2.855,4 2,5 6,6 6,8 6.42,9 4.366,10 4.366,11 7.366,12 4.366,13 1,14 4.097,16 11.8,17 96.601,18 13.547,19 15.549,20 0.074,21 0.02,22 1.851,23 1,24 3,25 16.446,26 0.283,28 0.399,30 7.431,31 4.907,32 9.267,33 9.267,34 9.267,35 19.35,36 17.943,37 11.784,38 1.02,39 1.016,40 4.595,41 6.581,44 6.195,45 6.195,46 19.189,47 3.552,48 5.552,49 3.552,50 14.116,51 39.984,52 0.41,53 2,54 4,55 2,56 4,57 3.452,58 0.121,59 15.093,60 2.947,61 2.947,62 4.947,63 2.947,64 1,65 1,66 31.407,67 2.945,68 33.596,69 5,70 5.5}
{0 CHEMBL1982122,4 2,5 4,6 8,8 0.746,9 4.452,10 4.452,11 7.452,12 4.452,14 4.091,15 31.278,16 6.7,17 106.397,18 13.656,19 16.299,20 0.057,21 0.021,22 2.115,23 1,25 16.592,26 -0.106,28 0.726,29 5,30 6.456,31 3.416,32 9.802,33 9.802,34 9.802,35 19.535,36 18.118,38 0.993,39 0.997,40 4.727,41 6.823,44 6.342,45 6.342,46 19.333,47 3.196,48 5.196,49 3.196,50 11.753,51 27.763,52 0.207,53 2,54 5,56 3,57 3.672,58 0.146,59 15.242,60 3.067,61 3.067,62 5.067,63 3.067,64 2,65 2,66 32.41,67 3.835,68 34.655,69 4,70 6}
{0 CHEMBL1982135,4 2,5 5,6 7,8 7.962,9 4.724,10 4.724,11 7.724,12 4.724,14 4.141,15 31.278,16 10.4,17 164.887,18 14.239,19 19.834,20 0.065,21 0.02,22 1.863,23 2,24 2,25 17.269,26 0.071,28 0.799,29 3,30 7.431,31 5.425,32 12.368,33 12.368,34 12.368,35 20.316,36 18.818,38 0.996,39 1.067,40 4.844,41 7.081,42 2,44 7.107,45 7.107,46 24.899,47 3.57,48 5.57,49 3.57,50 21.187,51 27.491,52 0.186,53 2,54 9,56 5,57 3.592,58 0.258,59 15.819,60 3.368,61 3.368,62 5.368,63 3.368,64 2,65 2,66 35.241,67 4.282,68 37.746,69 5,70 5.5}
{0 CHEMBL1982271,1 1,2 1,3 3.167,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.126,15 39.149,16 12.5,17 127.695,18 13.785,19 18.109,20 0.053,21 0.019,22 1.804,23 1,25 16.763,26 0.056,27 1,28 0.736,29 2,30 7.429,31 4.965,32 10.928,33 10.928,34 10.928,35 19.752,36 18.29,37 6.289,38 0.941,39 0.981,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 32.655,47 3.617,48 5.617,49 3.617,50 20.947,51 52.743,52 0.49,53 2,54 5,55 4,56 7,57 3.959,58 0.333,59 15.35,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.516,67 3.259,68 35.893,69 6,70 7.5}
{0 CHEMBL1982361,4 1,5 2,6 4,8 14.96,9 4.158,10 4.158,11 7.158,12 4.158,14 3.999,16 8.8,18 13.208,19 19.621,20 0.086,21 0.029,24 2,25 16.01,26 0.036,28 0.729,30 8.201,31 5.549,32 11.621,33 11.621,34 11.621,35 18.81,36 17.475,38 0.899,39 1.008,44 6.95,45 6.95,46 24.705,47 3.967,48 5.967,49 3.967,50 15.921,51 70.21,52 0.572,54 2,55 1,56 3,57 3.507,58 0.193,59 14.732,60 3.298,61 3.298,62 5.298,63 3.298,64 1,65 1,66 34.36,67 2.4,68 36.799,69 3,70 5.5}
{0 CHEMBL1982383,4 1,5 2,6 4,8 31.387,9 4.724,10 4.724,11 7.724,12 4.724,14 4.163,16 12.1,17 129.549,18 14.191,19 19.756,20 0.076,21 0.024,22 0.682,23 1,24 1,25 17.223,26 -0.166,27 1,28 1.316,29 3,30 8.201,31 5.562,32 12.229,33 12.229,34 12.229,35 20.277,36 18.777,38 0.98,39 0.964,40 4.844,41 7.081,43 1,44 7.065,45 7.065,46 16.338,47 3.372,48 5.372,49 3.372,50 13.999,51 91.853,52 0.78,53 1,54 1,56 7,57 4.142,58 0.487,59 15.775,60 3.353,61 3.353,62 5.353,63 3.353,64 4,65 4,66 35.233,67 4.188,68 37.711,69 3,70 5.5}
{0 CHEMBL1982400,3 3.112,4 3,5 5,6 13,8 13.915,9 4.566,10 4.566,11 7.566,12 4.566,13 1,14 4.15,16 11.4,17 105.343,18 13.957,19 18.109,20 0.057,21 0.017,22 2.089,23 1,25 16.923,26 0.155,27 1,28 0.612,29 9,30 5.141,31 1.495,32 10.974,33 10.974,34 10.974,35 19.902,36 18.454,38 0.986,39 1.071,40 5.352,41 7.413,43 1,44 6.726,45 6.726,46 13.558,47 3.188,48 5.188,49 3.188,50 8.381,51 26.269,52 0.174,53 2,54 3,55 2,56 5,57 3.545,58 0.098,59 15.537,60 3.186,61 3.186,62 5.186,63 3.186,64 3,65 3,66 33.635,67 4.949,68 36.009,69 2,70 7.5}
{0 CHEMBL1982465,4 2,5 4,6 8,8 53.182,9 4.712,10 4.712,11 7.712,12 4.712,14 4.119,15 31.278,16 7.9,17 162.513,18 14.155,19 19.202,20 0.061,21 0.024,22 1.947,23 1,24 2,25 17.185,26 -0.116,27 1,28 1.094,29 6,30 7.431,31 5.384,32 11.822,33 11.822,34 11.822,35 20.237,36 18.743,38 0.951,39 1.023,40 4.727,41 6.88,43 1,44 6.972,45 6.972,46 34.917,47 3.563,48 5.563,49 3.563,50 28.21,51 40.099,52 0.177,53 2,54 10,56 5,57 4.054,58 0.366,59 15.749,60 3.286,61 3.286,62 5.286,63 3.286,64 1,65 1,66 34.601,67 5.065,68 37.062,69 5,70 5.5}
{0 CHEMBL1982466,4 2,5 4,6 8,8 30.892,9 4.726,10 4.726,11 7.726,12 4.726,14 4.139,15 31.278,16 10.9,17 143.538,18 14.265,19 19.547,20 0.071,21 0.026,22 2.004,23 1,24 2,25 17.279,26 0.009,27 2,28 1.223,29 5,30 7.431,31 5.322,32 11.979,33 11.979,34 11.979,35 20.32,36 18.827,38 1.044,39 1.047,40 5.352,41 7.424,43 2,44 7.013,45 7.013,46 24.801,47 3.562,48 5.562,49 3.562,50 20.473,51 31.948,52 0.155,53 2,54 9,55 2,56 6,57 3.875,58 0.276,59 15.841,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.819,67 4.988,68 37.288,69 5,70 6.4}
{0 CHEMBL1982506,4 1,5 4,6 2,9 4.624,10 4.624,11 7.624,12 4.624,14 4.12,16 6.9,17 52.876,18 13.936,19 19.309,20 0.086,21 0.034,22 1.326,23 1,24 2,25 16.953,26 0.025,28 0.754,30 7.45,31 4.8,32 11.874,33 11.874,34 11.874,35 19.982,36 18.489,38 1.212,39 0.988,40 4.844,41 7.018,44 6.987,45 6.987,46 12.791,47 3.818,48 5.818,49 3.818,50 12.785,51 49.454,52 0.438,53 2,54 2,55 1,56 2,57 2.846,58 0.056,59 15.497,60 3.319,61 3.319,62 5.319,63 3.319,64 1,65 1,66 34.683,67 2.626,68 37.146,69 1,70 5.5}
{0 CHEMBL1982563,4 1,5 2,6 4,8 31.387,9 4.72,10 4.72,11 7.72,12 4.72,14 4.16,16 10.7,17 125.443,18 14.182,19 19.689,20 0.077,21 0.023,22 0.728,23 1,24 1,25 17.213,26 -0.201,27 1,28 1.146,29 3,30 8.201,31 5.51,32 12.197,33 12.197,34 12.197,35 20.266,36 18.767,38 0.78,39 0.971,40 4.844,41 7.081,43 1,44 7.059,45 7.059,46 18.663,47 3.363,48 5.363,49 3.363,50 15.194,51 67.314,52 0.736,53 1,54 1,56 6,57 4.065,58 0.475,59 15.766,60 3.348,61 3.348,62 5.348,63 3.348,64 4,65 4,66 35.216,67 4.268,68 37.692,69 1,70 5.5}
{0 CHEMBL1982610,4 1,5 2,6 4,8 27.818,9 4.257,10 4.257,11 7.257,12 4.257,14 4.058,15 56.782,16 12,17 62.384,18 13.274,19 17.972,20 0.084,21 0.028,23 1,24 1,25 16.124,26 -0.082,27 1,28 0.483,29 1,30 7.43,31 4.681,32 10.872,33 10.872,34 10.872,35 18.98,36 17.592,37 5.952,38 0.901,39 1.051,40 4.727,41 6.88,43 2,44 6.708,45 6.708,46 10.828,47 3.705,48 5.705,49 3.705,50 10.269,51 30.597,52 0.292,56 3,57 3.691,58 0.082,59 14.785,60 3.199,61 3.199,62 5.199,63 3.199,64 1,65 1,66 33.467,67 2.521,68 35.837,70 5.6}
{0 CHEMBL1982660,4 1,5 3,6 3,8 6.604,9 4.462,10 4.462,11 7.462,12 4.462,14 4.076,16 10.3,18 13.724,19 18.67,20 0.072,21 0.029,22 1.25,24 2,25 16.655,26 0.201,28 0.938,30 8.513,31 5.121,32 11.69,33 11.69,34 11.69,35 19.598,36 18.17,38 0.899,39 0.99,44 7.116,45 7.116,46 29.053,47 4.46,48 6.46,49 4.46,50 20.491,51 83.64,52 0.775,53 2,54 6,56 4,57 3.612,58 0.222,59 15.283,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 34.582,67 3.355,68 37.021,69 3,70 7.3}
{0 CHEMBL1982711,2 1,3 3.078,4 1,5 2,6 4,8 11.771,9 4.626,10 4.626,11 7.626,12 4.626,13 1,14 4.134,16 10.3,17 69.919,18 13.921,19 18.665,20 0.089,21 0.028,22 1.609,23 1,24 1,25 16.946,26 -0.229,27 1,28 0.5,29 5,30 7.437,31 4.05,32 11.489,33 11.489,34 11.489,35 19.979,36 18.489,37 6.201,38 0.941,39 1.045,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 2.992,47 3.501,48 5.501,49 3.501,50 4.426,51 28.31,52 0.26,53 2,54 6,56 3,57 2.891,58 0.198,59 15.499,60 3.23,61 3.23,62 5.23,63 3.23,64 1,65 1,66 34.196,67 3.289,68 36.63,69 3,70 7.4}
{0 CHEMBL1982866,4 1,5 2,6 4,8 11.771,9 4.255,10 4.255,11 7.255,12 4.255,14 4.057,16 10.8,18 13.227,19 18.143,20 0.063,21 0.023,24 1,25 16.08,26 -0.181,27 1,28 0.706,29 2,30 5.07,31 1.856,32 10.997,33 10.997,34 10.997,35 18.937,36 17.573,37 5.967,38 1.069,39 0.979,40 4.727,41 6.843,43 1,44 6.725,45 6.725,46 5.264,47 3.193,48 5.193,49 3.193,50 7.811,51 24.722,52 0.278,56 4,57 3.595,58 0.172,59 14.783,60 3.174,61 3.174,62 5.174,63 3.174,64 3,65 3,66 33.58,67 3.012,68 35.97,70 5.5}
{0 CHEMBL1982874,4 2,5 5,6 7,8 43.403,9 4.711,10 4.711,11 7.711,12 4.711,14 4.202,15 31.278,16 10.6,17 100.458,18 14.561,19 19.428,20 0.075,21 0.02,22 2.855,23 1,24 1,25 17.611,26 -0.045,27 2,28 1.015,29 15,30 8.201,31 5.456,32 12.075,33 12.075,34 12.075,35 20.668,36 19.16,38 1.168,39 1.106,40 6.354,41 8.343,42 2,43 2,44 7.025,45 7.025,46 4.198,47 3.35,48 5.35,49 3.35,50 7.489,51 35.014,52 0.302,53 3,54 3,55 1,56 5,57 4.036,58 0.366,59 16.139,60 3.34,61 3.34,62 5.34,63 3.34,64 2,65 2,66 35.12,67 4.938,68 37.587,70 5.5}
{0 CHEMBL1982924,2 1,3 3.174,4 2,5 3,6 9,8 11.771,9 4.555,10 4.555,11 7.555,12 4.555,13 1,14 4.138,16 7,17 104.189,18 13.877,19 18.073,20 0.067,21 0.02,22 1.739,23 1,24 2,25 16.848,26 0.136,27 1,28 0.677,29 6,30 7.429,31 5.509,32 10.945,33 10.945,34 10.945,35 19.831,36 18.38,38 1.031,39 1.032,40 4.727,41 6.843,43 1,44 6.718,45 6.718,46 15.343,47 3.577,48 5.577,49 3.577,50 11.833,51 31.732,52 0.185,53 2,54 4,55 1,56 3,57 3.536,58 0.21,59 15.456,60 3.171,61 3.171,62 5.171,63 3.171,64 1,65 1,66 33.565,67 4.035,68 35.94,69 4,70 5.5}
{0 CHEMBL1982957,2 1,3 3.21,4 2,5 3,6 9,8 11.771,9 4.566,10 4.566,11 7.566,12 4.566,13 1,14 4.15,16 7.7,17 88.275,18 13.93,19 18.109,20 0.076,21 0.026,22 1.881,23 1,25 16.905,26 0.142,27 1,28 0.837,29 11,30 7.437,31 4.396,32 10.974,33 10.974,34 10.974,35 19.89,36 18.437,38 1.001,39 1.065,40 4.727,41 6.843,43 1,44 6.726,45 6.726,46 2.351,47 3.503,48 5.503,49 3.503,50 2.824,51 29.036,52 0.125,53 2,54 5,55 1,56 3,57 3.41,58 0.176,59 15.508,60 3.185,61 3.185,62 5.185,63 3.185,64 1,65 1,66 33.644,67 4.241,68 36.017,69 3,70 5.5}
{0 CHEMBL1982980,2 1,3 3.13,4 2,5 6,6 6,8 4.901,9 4.696,10 4.696,11 7.696,12 4.696,13 1,14 4.162,16 1.9,17 124.827,18 14.211,19 19.437,20 0.096,21 0.028,22 1.79,23 1,24 3,25 17.228,26 -0.02,28 1.077,29 15,30 7.475,31 4.836,32 11.803,33 11.803,34 11.803,35 20.262,36 18.766,37 12.151,38 1.113,39 0.958,40 4.844,41 7.066,44 6.964,45 6.964,46 14.81,47 3.647,48 5.647,49 3.647,50 16.577,51 46.475,52 0.401,53 2,54 6,55 1,56 1,57 3.793,58 0.291,59 15.772,60 3.313,61 3.313,62 5.313,63 3.313,66 34.661,67 3.384,68 37.106,69 3,70 6.2}
{0 CHEMBL1982982,4 2,5 5,6 7,8 14.96,9 4.081,10 4.081,11 7.081,12 4.081,14 4.026,16 7.5,18 13.08,19 16.605,20 0.07,21 0.026,24 2,25 15.842,26 -0.098,28 0.722,29 8,30 8.201,31 5.278,32 9.967,33 9.967,34 9.967,35 18.601,36 17.326,38 0.886,39 1.01,44 6.451,45 6.451,46 20.794,47 3.54,48 5.54,49 3.54,50 14.164,51 38.845,52 0.258,54 5,55 1,56 3,57 3.627,58 0.264,59 14.644,60 3.044,61 3.044,62 5.044,63 3.044,64 1,65 1,66 32.375,67 3.133,68 34.646,69 4,70 5.5}
{0 CHEMBL1982992,4 1,5 2,6 4,8 14.099,9 4.582,10 4.582,11 7.582,12 4.582,14 4.055,15 31.278,16 11.5,17 63.433,18 13.79,19 17.934,20 0.063,21 0.023,22 1.63,23 1,24 3,25 16.809,26 -0.075,27 1,28 0.385,29 1,30 6.471,31 3.422,32 11.066,33 11.066,34 11.066,35 19.833,36 18.351,37 6.116,38 0.891,39 1.003,40 4.727,41 6.823,43 1,44 6.771,45 6.771,46 22.275,47 3.343,48 5.343,49 3.343,50 13.245,51 24.672,52 0.346,53 2,54 4,56 3,57 3.252,58 0.082,59 15.372,60 3.17,61 3.17,62 5.17,63 3.17,64 2,65 2,66 33.662,67 3.132,68 36.061,69 5,70 5.5}
{0 CHEMBL1983025,4 2,5 4,6 8,8 53.182,9 4.713,10 4.713,11 7.713,12 4.713,14 4.121,15 31.278,16 7.8,17 160.374,18 14.201,19 19.213,20 0.078,21 0.028,22 1.879,23 1,24 2,25 17.217,26 -0.055,27 1,28 1.337,29 8,30 7.431,31 5.372,32 11.828,33 11.828,34 11.828,35 20.258,36 18.768,38 0.916,39 0.994,40 4.727,41 6.88,43 1,44 6.977,45 6.977,46 31.4,47 3.802,48 5.802,49 3.802,50 23.654,51 52.974,52 0.247,53 2,54 11,56 5,57 4.099,58 0.502,59 15.785,60 3.297,61 3.297,62 5.297,63 3.297,64 1,65 1,66 35.153,67 4.886,68 37.61,69 8,70 5.6}
{0 CHEMBL1983111,4 1,5 3,6 3,8 4.227,9 4.092,10 4.092,11 7.092,12 4.092,14 4.106,16 10.2,17 136.071,18 13.409,19 20.078,20 0.071,21 0.027,23 1,24 1,25 16.185,26 0.017,28 1.351,29 2,30 8.513,31 5.7,32 12.537,33 12.537,34 12.537,35 18.973,36 17.63,38 1.019,39 0.995,40 5.533,41 7.758,42 8,44 7.25,45 7.25,46 62.329,47 4.47,48 6.47,49 4.47,50 36.698,51 146.627,52 1.283,54 2,55 1,56 6,57 4.103,58 0.358,59 14.892,60 3.419,61 3.419,62 5.419,63 3.419,64 2,65 2,66 35.954,67 2.493,68 38.47,69 6,70 6.3}
{0 CHEMBL1983157,3 2.998,4 1,5 4,6 2,8 4.472,9 4.621,10 4.621,11 7.621,12 4.621,13 1,14 4.132,16 12.5,17 79.173,18 13.878,19 18.123,20 0.065,21 0.027,22 1.907,23 1,24 1,25 16.911,26 -0.067,28 0.705,29 5,30 5.247,31 1.978,32 11.167,33 11.167,34 11.167,35 19.95,36 18.458,38 1.004,39 1.015,40 4.727,41 6.823,44 6.793,45 6.793,46 17.5,47 3.256,48 5.256,49 3.256,50 11.068,51 24.923,52 0.208,53 2,54 7,55 2,56 5,57 3.348,58 0.121,59 15.463,60 3.211,61 3.211,62 5.211,63 3.211,64 2,65 2,66 33.829,67 3.055,68 36.23,69 6,70 6.4}
{0 CHEMBL1983195,4 1,5 3,6 3,8 38.716,9 4.497,10 4.497,11 7.497,12 4.497,14 4.11,16 8.3,18 13.848,19 18.222,20 0.072,21 0.019,22 1.349,24 1,25 16.777,26 -0.147,27 2,28 0.847,29 3,30 7.429,31 5.325,32 11.044,33 11.044,34 11.044,35 19.723,36 18.283,38 0.962,39 0.999,40 5.13,41 6.986,43 2,44 6.737,45 6.737,46 15.857,47 3.684,48 5.684,49 3.684,50 12.346,51 46.157,52 0.414,53 2,54 2,55 1,56 4,57 3.758,58 0.255,59 15.39,60 3.198,61 3.198,62 5.198,63 3.198,64 2,65 2,66 33.72,67 3.634,68 36.099,69 2,70 5.5}
{0 CHEMBL1983268,3 2.94,4 3,5 9,6 9,7 1,8 29.92,9 4.507,10 4.507,11 7.507,12 4.507,13 1,14 4.129,16 8,17 181.402,18 14.022,19 17.453,20 0.062,21 0.025,22 1.404,23 1,24 4,25 16.943,26 -0.087,28 1.514,29 9,30 8.211,31 6.673,32 10.47,33 10.47,34 10.47,35 19.879,36 18.449,38 0.989,39 1.017,40 4.727,41 6.823,42 3,44 6.578,45 6.578,46 71.325,47 3.613,48 5.613,49 3.613,50 43.958,51 111.566,52 0.861,53 2,54 8,55 2,56 6,57 4.474,58 0.576,59 15.568,60 3.134,61 3.134,62 5.134,63 3.134,64 1,65 1,66 33.438,67 4.269,68 35.752,69 7,70 5.8}
{0 CHEMBL1983315,3 3.069,4 3,5 6,6 12,8 4.901,9 4.532,10 4.532,11 7.532,12 4.532,13 1,14 4.148,16 10,17 113.044,18 14.168,19 19.241,20 0.071,21 0.02,22 2.135,23 1,25 17.132,26 0.15,28 0.969,29 15,30 5.133,31 1.603,32 11.871,33 11.871,34 11.871,35 20.1,36 18.651,38 0.984,39 1.051,40 5.416,41 7.516,44 6.978,45 6.978,46 16.499,47 3.33,48 5.33,49 3.33,50 13.232,51 28.73,52 0.207,53 2,54 1,55 2,56 5,57 3.984,58 0.306,59 15.731,60 3.285,61 3.285,62 5.285,63 3.285,64 3,65 3,66 34.754,67 4.177,68 37.207,69 2,70 5.6}
{0 CHEMBL1983449,4 1,5 3,6 3,9 4.221,10 4.221,11 7.221,12 4.221,14 4.005,16 7.5,18 13.384,19 19.621,20 0.088,21 0.03,24 1,25 16.212,26 0.12,28 0.785,30 6.539,31 3.807,32 11.621,33 11.621,34 11.621,35 19.04,36 17.685,38 0.902,39 0.939,44 6.95,45 6.95,46 25.885,47 3.602,48 5.602,49 3.602,50 18.479,51 40.637,52 0.287,55 1,56 3,57 3.456,58 0.25,59 14.914,60 3.297,61 3.297,62 5.297,63 3.297,64 1,65 1,66 34.356,67 3.563,68 36.796,70 5.5}
{0 CHEMBL1983534,4 2,5 4,6 8,8 0.746,9 4.451,10 4.451,11 7.451,12 4.451,14 4.088,15 31.278,16 7.9,17 89.058,18 13.627,19 16.225,20 0.051,21 0.018,22 2.221,23 1,25 16.57,26 -0.092,28 0.445,29 4,30 5.003,31 1.658,32 9.77,33 9.77,34 9.77,35 19.517,36 18.099,38 0.93,39 1.055,40 4.727,41 6.823,44 6.335,45 6.335,46 15.848,47 3.081,48 5.081,49 3.081,50 9.712,51 18.051,52 0.118,53 2,54 4,56 3,57 3.39,58 0.065,59 15.219,60 3.055,61 3.055,62 5.055,63 3.055,64 2,65 2,66 32.12,67 3.939,68 34.371,69 2,70 5.5}
{0 CHEMBL1983589,1 1,2 1,3 3.143,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.122,15 39.149,16 14,17 90.419,18 13.769,19 18.109,20 0.058,21 0.017,22 1.793,23 1,25 16.756,26 0.065,27 1,28 0.507,29 4,30 5.147,31 2.111,32 10.928,33 10.928,34 10.928,35 19.748,36 18.285,37 6.222,38 0.972,39 1.02,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 21.907,47 3.205,48 5.205,49 3.205,50 14.25,51 40.951,52 0.424,53 2,54 3,55 2,56 6,57 3.711,58 0.218,59 15.34,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.51,67 3.213,68 35.889,69 7,70 7.3}
{0 CHEMBL1983595,3 2.889,4 3,5 6,6 12,8 11.771,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.131,16 12.5,17 129.431,18 13.975,19 17.294,20 0.063,21 0.021,22 1.521,23 1,24 1,25 16.902,26 0.301,27 1,28 0.893,29 4,30 7.429,31 5.597,32 10.481,33 10.481,34 10.481,35 19.844,36 18.416,37 5.992,38 0.903,39 1.048,40 5.352,41 7.402,43 1,44 6.577,45 6.577,46 24.891,47 3.585,48 5.585,49 3.585,50 17.503,51 44.963,52 0.41,53 2,54 6,55 4,56 6,57 3.924,58 0.247,59 15.535,60 3.137,61 3.137,62 5.137,63 3.137,64 3,65 3,66 33.105,67 4.913,68 35.42,69 3,70 6.9}
{0 CHEMBL1983855,3 3.015,4 1,5 3,6 3,8 2.144,9 4.51,10 4.51,11 7.51,12 4.51,13 1,14 4.126,16 10.3,17 80.345,18 13.731,19 16.757,20 0.072,21 0.026,22 2.18,23 1,24 1,25 16.707,26 -0.204,28 0.601,29 2,30 5.088,31 2.161,32 10.231,33 10.231,34 10.231,35 19.686,36 18.232,38 1.086,39 0.995,40 4.727,41 6.804,44 6.522,45 6.522,46 10.991,47 3.147,48 5.147,49 3.147,50 10.792,51 21.816,52 0.141,53 2,54 1,55 1,56 4,57 3.212,58 0.139,59 15.299,60 3.103,61 3.103,62 5.103,63 3.103,64 2,65 2,66 32.712,67 3.181,68 35.014,69 2,70 5.7}
{0 CHEMBL1983923,3 2.947,4 1,5 1,6 5,8 9.741,9 3.924,10 3.924,11 6.924,12 3.924,13 1,14 4.006,16 13.2,18 12.893,19 15.697,20 0.048,21 0.022,25 15.582,26 0.096,28 0.82,29 2,30 5.063,31 1.785,32 9.396,33 9.396,34 9.396,35 18.267,36 17.039,38 0.944,39 1.002,40 4.595,41 6.529,44 6.216,45 6.216,46 41.924,47 3.179,48 5.179,49 3.179,50 24.019,51 33.848,52 0.33,54 2,55 3,56 7,57 3.87,58 0.311,59 14.433,60 2.976,61 2.976,62 4.976,63 2.976,64 3,65 3,66 31.502,67 3.145,68 33.709,69 4,70 6.8}
{0 CHEMBL1983932,4 1,5 3,6 3,8 9.23,9 4.462,10 4.462,11 7.462,12 4.462,14 4.075,15 45.954,16 11.1,18 13.61,19 17.182,20 0.059,21 0.027,22 1.563,24 2,25 16.559,26 -0.011,28 0.694,30 7.431,31 5.137,32 10.296,33 10.296,34 10.296,35 19.519,36 18.086,38 0.84,39 0.999,44 6.527,45 6.527,46 24.957,47 3.571,48 5.571,49 3.571,50 17.68,51 27.436,52 0.365,53 2,54 7,56 4,57 3.444,58 0.148,59 15.187,60 3.069,61 3.069,62 5.069,63 3.069,64 2,65 2,66 32.673,67 3.295,68 34.991,69 3,70 8.2}
{0 CHEMBL1983945,2 1,3 3.208,4 1,5 2,6 4,7 1,8 13.915,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.13,16 10,17 131.622,18 13.708,19 17.104,20 0.062,21 0.021,22 2.119,23 1,24 1,25 16.647,26 -0.041,27 1,28 0.747,29 4,30 7.429,31 5.566,32 10.314,33 10.314,34 10.314,35 19.597,36 18.173,38 1.002,39 1.02,40 4.727,41 6.823,43 1,44 6.538,45 6.538,46 13.185,47 3.726,48 5.726,49 3.726,50 11.193,51 48.207,52 0.26,53 2,54 4,56 5,57 3.706,58 0.222,59 15.291,60 3.081,61 3.081,62 5.081,63 3.081,64 2,65 2,66 32.739,67 4.559,68 35.052,69 5,70 5.5}
{0 CHEMBL1983963,4 2,5 4,6 8,8 18.375,9 4.626,10 4.626,11 7.626,12 4.626,14 4.11,16 11.4,17 118.128,18 13.979,19 18.662,20 0.063,21 0.023,22 1.118,23 1,24 2,25 16.981,26 0.102,27 1,28 0.722,30 7.431,31 5.156,32 11.489,33 11.489,34 11.489,35 20,36 18.526,38 0.88,39 1.033,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 24.218,47 3.563,48 5.563,49 3.563,50 17.311,51 37.333,52 0.337,53 2,54 8,55 1,56 5,57 3.384,58 0.193,59 15.563,60 3.229,61 3.229,62 5.229,63 3.229,64 2,65 2,66 34.194,67 4.106,68 36.628,69 5,70 5.5}
{0 CHEMBL1984038,4 4,5 12,6 12,7 1,9 4.453,10 4.453,11 7.453,12 4.453,14 4.104,16 4.5,18 14.388,19 17.737,20 0.078,21 0.027,24 7,25 17.279,26 -0.014,28 1.826,29 12,30 7.718,31 6.204,32 10.694,33 10.694,34 10.694,35 20.175,36 18.759,38 1.13,39 1.008,40 2.708,41 5.38,44 6.632,45 6.632,46 41.012,47 4.312,48 6.312,49 4.312,50 29.987,51 49.143,52 0.556,54 10,55 2,56 3,57 4.305,58 0.571,59 15.901,60 3.204,61 3.204,62 5.204,63 3.204,66 34.141,67 4.824,68 36.471,69 7,70 5.5}
{0 CHEMBL1984039,2 1,3 3.2,4 3,5 6,6 10,8 7.658,9 4.721,10 4.721,11 7.721,12 4.721,13 1,14 4.184,16 4.9,17 136.125,18 14.629,19 19.898,20 0.081,21 0.022,22 3.986,23 1,24 1,25 17.661,26 -0.013,28 1.105,29 15,30 7.475,31 5.099,32 12.114,33 12.114,34 12.114,35 20.697,36 19.2,38 1,39 1.007,40 5.533,41 7.719,44 7.052,45 7.052,46 18.462,47 3.648,48 5.648,49 3.648,50 17.489,51 32.486,52 0.256,53 4,54 4,55 1,56 3,57 3.93,58 0.417,59 16.198,60 3.361,61 3.361,62 5.361,63 3.361,64 1,65 1,66 35.206,67 5.203,68 37.666,69 3,70 5.8}
{0 CHEMBL1984162,4 2,5 6,6 6,8 7.164,9 4.731,10 4.731,11 7.731,12 4.731,14 4.159,16 9.7,17 345.132,18 14.581,19 19.667,20 0.063,21 0.025,22 3.18,23 2,24 1,25 17.633,26 -0.01,28 1.446,29 4,30 5.262,31 2.465,32 12.14,33 12.14,34 12.14,35 20.694,36 19.186,38 1.005,39 1.007,40 5.476,41 7.662,42 6,44 7.049,45 7.049,46 36.87,47 3.387,48 5.387,49 3.387,50 31.057,51 59.703,52 0.609,53 4,54 4,55 1,56 7,57 4.163,58 0.431,59 16.162,60 3.345,61 3.345,62 5.345,63 3.345,64 4,65 4,66 35.075,67 5.137,68 37.549,69 3,70 7.3}
{0 CHEMBL1984191,3 2.955,4 1,5 3,6 3,8 2.757,9 4.208,10 4.208,11 7.208,12 4.208,13 1,14 4.044,16 14.8,18 13.246,19 18.032,20 0.084,21 0.02,24 2,25 16.079,26 -0.087,28 0.466,29 3,30 5.114,31 1.926,32 10.86,33 10.86,34 10.86,35 18.91,36 17.558,37 11.958,38 0.958,39 1.022,40 4.595,41 6.605,44 6.697,45 6.697,46 0.907,47 3.33,48 5.33,49 3.33,50 2.167,51 18.696,52 0.255,54 2,56 4,57 3.295,58 0.103,59 14.788,60 3.14,61 3.14,62 5.14,63 3.14,64 3,65 3,66 33.424,67 3.228,68 35.796,69 2,70 5.5}
{0 CHEMBL1984363,3 2.915,4 3,5 8,6 10,8 19.432,9 4.621,10 4.621,11 7.621,12 4.621,13 1,14 4.136,16 8.5,17 124.748,18 14.048,19 18.697,20 0.076,21 0.027,22 1.771,23 1,24 2,25 17.036,26 0.004,28 0.903,29 11,30 8.201,31 5.336,32 11.471,33 11.471,34 11.471,35 20.04,36 18.571,38 0.983,39 1.04,40 4.727,41 6.823,44 6.879,45 6.879,46 20.515,47 3.629,48 5.629,49 3.629,50 16.28,51 56.388,52 0.319,53 2,54 8,56 4,57 3.455,58 0.244,59 15.62,60 3.223,61 3.223,62 5.223,63 3.223,64 1,65 1,66 34.182,67 4.121,68 36.612,69 6,70 5.5}
{0 CHEMBL1984367,3 3.073,4 2,5 3,6 9,7 1,8 4.115,9 4.611,10 4.611,11 7.611,12 4.611,13 1,14 4.131,15 31.278,16 8.5,18 13.956,19 18.236,20 0.079,21 0.029,22 1.82,24 1,25 16.949,26 -0.166,28 0.942,29 7,30 7.429,31 5.562,32 11.054,33 11.054,34 11.054,35 19.959,36 18.487,38 0.868,39 1.026,40 5.416,41 7.526,44 6.746,45 6.746,46 19.434,47 3.577,48 5.577,49 3.577,50 14.261,51 34.674,52 0.218,53 2,54 5,56 4,57 3.616,58 0.235,59 15.532,60 3.214,61 3.214,62 5.214,63 3.214,64 1,65 1,66 33.697,67 3.82,68 36.082,69 3,70 5.5}
{0 CHEMBL1984586,4 2,5 4,6 8,8 18.375,9 4.626,10 4.626,11 7.626,12 4.626,14 4.11,16 11.4,17 117.366,18 14.011,19 18.662,20 0.074,21 0.019,22 1.118,23 1,24 2,25 17.01,26 0.068,27 1,28 0.611,30 7.431,31 5.197,32 11.489,33 11.489,34 11.489,35 20.023,36 18.55,38 0.881,39 1.033,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 20.04,47 3.568,48 5.568,49 3.568,50 15.479,51 36.273,52 0.353,53 2,54 7,55 1,56 5,57 3.4,58 0.156,59 15.591,60 3.229,61 3.229,62 5.229,63 3.229,64 2,65 2,66 34.21,67 4.136,68 36.641,69 5,70 6.5}
{0 CHEMBL1984633,4 1,5 2,6 4,8 1.358,9 4.007,10 4.007,11 7.007,12 4.007,14 3.987,15 31.278,16 7.3,18 12.977,19 16.025,20 0.076,21 0.03,24 1,25 15.706,26 0.087,28 0.834,29 3,30 7.429,31 5.443,32 9.464,33 9.464,34 9.464,35 18.432,36 17.166,38 1.113,39 0.971,40 4.595,41 6.605,44 6.266,45 6.266,46 18.055,47 3.591,48 5.591,49 3.591,50 13.021,51 36.779,52 0.266,54 1,56 3,57 3.491,58 0.199,59 14.511,60 2.996,61 2.996,62 4.996,63 2.996,64 2,65 2,66 31.889,67 2.921,68 34.096,69 2,70 5.5}
{0 CHEMBL1984700,4 1,5 3,6 3,8 51.162,9 4.731,10 4.731,11 7.731,12 4.731,14 4.159,16 10.5,17 132.718,18 14.261,19 19.94,20 0.067,21 0.027,22 0.365,23 1,24 2,25 17.288,26 -0.164,27 1,28 1.591,29 1,30 8.211,31 6.793,32 12.316,33 12.316,34 12.316,35 20.337,36 18.838,38 0.968,39 0.944,40 4.844,41 7.081,43 1,44 7.09,45 7.09,46 24.619,47 3.43,48 5.43,49 3.43,50 19.097,51 118.568,52 0.967,53 1,54 1,56 6,57 4.282,58 0.635,59 15.838,60 3.37,61 3.37,62 5.37,63 3.37,64 4,65 4,66 35.248,67 4.207,68 37.737,69 2,70 5.5}
{0 CHEMBL1984711,4 1,5 4,6 2,8 4.227,9 4.109,10 4.109,11 7.109,12 4.109,14 4.008,16 8.6,18 13.299,19 17.184,20 0.053,21 0.023,24 4,25 16.062,26 0.06,28 0.987,29 1,30 5.231,31 1.977,32 10.263,33 10.263,34 10.263,35 18.826,36 17.511,38 1.119,39 0.957,40 4.595,41 6.581,42 5,44 6.524,45 6.524,46 57.097,47 3.375,48 5.375,49 3.375,50 33.976,51 46.492,52 0.636,54 2,55 1,56 5,57 3.806,58 0.218,59 14.806,60 3.067,61 3.067,62 5.067,63 3.067,64 3,65 3,66 32.847,67 3.204,68 35.142,69 4,70 5.5}
{0 CHEMBL1984788,3 3.032,4 2,5 7,6 5,8 17.104,9 4.601,10 4.601,11 7.601,12 4.601,13 1,14 4.143,16 9.1,17 104.303,18 14.009,19 18.144,20 0.074,21 0.035,22 0.929,23 1,24 2,25 16.998,26 -0.194,28 1.258,29 5,30 8.201,31 6.76,32 10.993,33 10.993,34 10.993,35 20,36 18.525,37 6.026,38 1.043,39 1.034,40 4.727,41 6.862,42 2,44 6.731,45 6.731,46 13.8,47 3.56,48 5.56,49 3.56,50 15.397,51 70.931,52 0.577,53 2,54 6,56 4,57 3.665,58 0.183,59 15.566,60 3.223,61 3.223,62 5.223,63 3.223,64 1,65 1,66 33.816,67 3.303,68 36.18,69 5,70 5.7}
{0 CHEMBL1985074,4 1,5 3,6 3,9 4.593,10 4.593,11 7.593,12 4.593,14 4.1,15 32.22,16 6.9,18 13.831,19 18.923,20 0.084,21 0.031,22 1.7,24 2,25 16.844,26 0.085,28 0.611,29 5,30 7.429,31 4.768,32 11.322,33 11.322,34 11.322,35 19.868,36 18.38,37 6.425,38 1.211,39 1.019,42 1,44 6.847,45 6.847,46 8.139,47 4.329,48 6.329,49 4.329,50 10.33,51 32.044,52 0.26,53 2,56 2,57 2.7,58 0.057,59 15.395,60 3.255,61 3.255,62 5.255,63 3.255,64 1,65 1,66 34.024,67 2.515,68 36.434,69 1,70 5.8}
{0 CHEMBL1985092,3 3.068,4 3,5 6,6 12,7 1,8 5.085,9 4.322,10 4.322,11 7.322,12 4.322,13 1,14 4.078,16 7,18 13.541,19 18.846,20 0.069,21 0.021,24 4,25 16.386,26 0.072,28 0.876,29 11,30 6.474,31 3.625,32 11.628,33 11.628,34 11.628,35 19.243,36 17.88,37 6.082,38 0.962,39 0.993,40 4.727,41 6.843,44 6.909,45 6.909,46 21.733,47 3.278,48 5.278,49 3.278,50 15.401,51 38.68,52 0.319,54 11,55 2,56 3,57 3.991,58 0.336,59 15.095,60 3.241,61 3.241,62 5.241,63 3.241,64 1,65 1,66 34.36,67 3.377,68 36.807,69 9,70 5.5}
{0 CHEMBL1985095,2 1,3 3.132,4 2,5 6,6 6,8 20.063,9 4.699,10 4.699,11 7.699,12 4.699,13 1,14 4.205,15 31.278,16 14.3,17 329.488,18 14.736,19 19.008,20 0.065,21 0.025,22 5.735,23 3,25 17.778,26 0.016,27 1,28 1.348,29 10,30 7.437,31 4.614,32 11.58,33 11.58,34 11.58,35 20.821,36 19.321,38 1.101,39 1.11,40 5.82,41 7.947,43 1,44 6.887,45 6.887,46 10.917,47 3.563,48 5.563,49 3.563,50 9.628,51 26.148,52 0.236,53 6,54 4,55 2,56 7,57 4.236,58 0.353,59 16.312,60 3.303,61 3.303,62 5.303,63 3.303,64 3,65 3,66 34.72,67 5.979,68 37.139,69 2,70 5.5}
{0 CHEMBL1985153,4 1,5 2,6 4,8 4.227,9 3.95,10 3.95,11 6.95,12 3.95,14 3.981,16 11.1,18 12.702,19 16.38,20 0.063,21 0.018,24 1,25 15.423,26 -0.161,28 0.542,29 2,30 7.475,31 4.279,32 9.816,33 9.816,34 9.816,35 18.141,36 16.89,38 0.928,39 0.949,42 6,44 6.417,45 6.417,46 40.33,47 3.608,48 5.608,49 3.608,50 22.369,51 62.166,52 0.509,54 6,56 5,57 3.482,58 0.18,59 14.245,60 2.987,61 2.987,62 4.987,63 2.987,64 2,65 2,66 32.196,67 2.46,68 34.449,69 6,70 5.5}
{0 CHEMBL1985406,3 2.758,4 2,5 6,6 6,8 29.92,9 4.527,10 4.527,11 7.527,12 4.527,13 1,14 4.126,16 7.9,17 88.662,18 13.901,19 17.759,20 0.089,21 0.027,22 1.285,23 1,24 2,25 16.872,26 0.016,28 0.781,29 6,30 8.239,31 5.956,32 10.642,33 10.642,34 10.642,35 19.848,36 18.39,38 0.991,39 1.009,40 4.727,41 6.823,44 6.645,45 6.645,46 11.42,47 3.598,48 5.598,49 3.598,50 10.255,51 59.565,52 0.495,53 2,54 6,56 3,57 3.516,58 0.205,59 15.456,60 3.162,61 3.162,62 5.162,63 3.162,64 1,65 1,66 33.483,67 3.249,68 35.823,69 3,70 5.5}
{0 CHEMBL1985654,1 1,2 1,3 3.195,8 56.319,9 4.536,10 4.536,11 7.536,12 4.536,13 1,14 4.13,15 39.149,16 8.7,17 98.72,18 13.786,19 18.14,20 0.068,21 0.02,22 1.902,23 1,25 16.772,26 -0.043,27 1,28 0.729,29 3,30 5.1,31 2.193,32 10.941,33 10.941,34 10.941,35 19.762,36 18.299,37 6.304,38 1.106,39 0.965,40 4.727,41 6.843,43 1,44 6.718,45 6.718,46 17.931,47 3.251,48 5.251,49 3.251,50 14.213,51 23.862,52 0.245,53 2,54 3,56 4,57 3.931,58 0.177,59 15.354,60 3.175,61 3.175,62 5.175,63 3.175,64 2,65 2,66 33.597,67 3.204,68 35.968,69 2,70 6.6}
{0 CHEMBL1985723,1 1,2 1,3 3.179,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.129,15 39.149,16 11.6,17 88.521,18 13.795,19 18.108,20 0.074,21 0.02,22 1.914,23 1,25 16.77,26 0.003,27 1,28 0.583,29 6,30 5.104,31 2.089,32 10.928,33 10.928,34 10.928,35 19.756,36 18.295,37 6.2,38 1.026,39 0.982,40 4.727,41 6.843,43 1,44 6.715,45 6.715,46 16.907,47 3.229,48 5.229,49 3.229,50 11.088,51 48.449,52 0.403,53 2,54 6,55 1,56 5,57 3.71,58 0.215,59 15.357,60 3.186,61 3.186,62 5.186,63 3.186,64 2,65 2,66 34.086,67 3.208,68 36.465,69 5,70 6.8}
{0 CHEMBL1986139,4 1,5 1,6 5,8 14.099,9 4.582,10 4.582,11 7.582,12 4.582,14 4.055,15 31.278,16 12,17 58.616,18 13.738,19 17.93,20 0.06,21 0.021,22 1.77,23 1,24 2,25 16.771,26 -0.096,27 1,28 0.33,29 2,30 5.112,31 2.023,32 11.065,33 11.065,34 11.065,35 19.806,36 18.32,37 6.134,38 0.95,39 1.045,40 4.727,41 6.823,43 1,44 6.771,45 6.771,46 19.407,47 3.343,48 5.343,49 3.343,50 11.088,51 17.749,52 0.254,53 2,54 3,56 3,57 3.088,58 0.03,59 15.33,60 3.17,61 3.17,62 5.17,63 3.17,64 2,65 2,66 33.659,67 3.107,68 36.058,69 3,70 5.5}
{0 CHEMBL1986186,9 4.227,10 4.227,11 7.227,12 4.227,14 3.984,16 7.7,18 13.155,19 19.749,20 0.1,21 0.039,24 1,25 15.989,26 0.119,28 1.007,30 6.539,31 3.745,32 11.749,33 11.749,34 11.749,35 18.834,36 17.455,38 1.268,39 0.863,44 7.079,45 7.079,46 22.014,47 3.622,48 5.622,49 3.622,50 14.61,51 57.623,52 0.424,55 1,56 3,57 3.255,58 0.173,59 14.663,60 3.356,61 3.356,62 5.356,63 3.356,64 1,65 1,66 34.927,67 2.383,68 37.37,70 5.5}
{0 CHEMBL1986263,4 1,5 2,6 4,8 4.969,9 4.022,10 4.022,11 7.022,12 4.022,14 3.976,15 32.22,16 9.5,18 12.985,19 18.326,20 0.068,21 0.021,24 2,25 15.713,26 0.16,28 0.611,30 7.427,31 5.02,32 11.002,33 11.002,34 11.002,35 18.442,36 17.167,38 0.92,39 0.971,40 4.844,41 7.002,44 6.77,45 6.77,46 31.6,47 4.831,48 6.831,49 4.831,50 21.932,51 26.523,52 0.259,54 2,55 1,56 4,57 3.507,58 0.243,59 14.504,60 3.208,61 3.208,62 5.208,63 3.208,64 2,65 2,66 33.61,67 2.644,68 35.994,69 2,70 7.4}
{0 CHEMBL1986328,4 1,5 3,6 3,8 38.716,9 4.497,10 4.497,11 7.497,12 4.497,14 4.109,16 9.5,18 13.844,19 18.222,20 0.07,21 0.02,22 1.331,24 1,25 16.775,26 -0.088,27 2,28 0.847,29 3,30 7.43,31 4.863,32 11.044,33 11.044,34 11.044,35 19.721,36 18.282,38 1.181,39 1.012,40 5.13,41 6.986,43 2,44 6.737,45 6.737,46 12.321,47 3.658,48 5.658,49 3.658,50 9.184,51 55.355,52 0.539,53 2,55 1,56 4,57 3.635,58 0.215,59 15.387,60 3.198,61 3.198,62 5.198,63 3.198,64 2,65 2,66 33.702,67 3.691,68 36.083,69 2,70 5.5}
{0 CHEMBL1986499,3 2.791,4 3,5 6,6 12,8 17.717,9 4.529,10 4.529,11 7.529,12 4.529,13 1,14 4.139,16 13,17 114.66,18 14.127,19 18.912,20 0.071,21 0.02,22 1.608,23 1,24 1,25 17.086,26 0.179,28 0.889,29 13,30 8.201,31 5.52,32 11.648,33 11.648,34 11.648,35 20.05,36 18.605,38 0.972,39 1.073,40 5.416,41 7.516,44 6.914,45 6.914,46 16.72,47 3.296,48 5.296,49 3.296,50 13.171,51 39.929,52 0.331,53 2,54 4,55 4,56 6,57 4.025,58 0.294,59 15.691,60 3.257,61 3.257,62 5.257,63 3.257,64 3,65 3,66 34.511,67 4.149,68 36.944,69 2,70 5.5}
{0 CHEMBL1986530,4 1,5 3,6 3,8 16.859,9 4.035,10 4.035,11 7.035,12 4.035,14 4.034,16 10.3,18 13.297,19 17.924,20 0.081,21 0.022,24 1,25 16.043,26 0.067,28 1,29 9,30 8.201,31 6.641,32 10.747,33 10.747,34 10.747,35 18.791,36 17.487,38 1.084,39 1.009,42 4,44 6.676,45 6.676,46 33.148,47 3.733,48 5.733,49 3.733,50 28.588,51 119.922,52 0.818,54 3,56 6,57 3.976,58 0.444,59 14.798,60 3.14,61 3.14,62 5.14,63 3.14,64 2,65 2,66 33.775,67 2.745,68 36.118,69 1,70 5.5}
{0 CHEMBL1986597,3 3.166,4 3,5 7,6 11,7 1,8 2.144,9 4.763,10 4.763,11 7.763,12 4.763,13 1,14 4.147,16 8.5,17 171.363,18 14.683,19 21.624,20 0.088,21 0.03,22 1.176,23 1,24 2,25 17.735,26 -0.134,28 1.58,29 12,30 7.715,31 5.92,32 13.624,33 13.624,34 13.624,35 20.799,36 19.283,38 1.098,39 1.031,40 4.727,41 6.862,44 7.668,45 7.668,46 24.357,47 4.726,48 6.726,49 4.726,50 20.29,51 137.263,52 0.921,53 2,54 6,56 5,57 4.013,58 0.406,59 16.251,60 3.515,61 3.515,62 5.515,63 3.515,64 1,65 1,66 36.611,67 4.516,68 39.212,69 6,70 5.5}
{0 CHEMBL1986603,4 1,5 2,6 4,7 1,8 25.182,9 4.157,10 4.157,11 7.157,12 4.157,14 4.045,15 31.278,16 13.2,18 13.468,19 16.942,20 0.065,21 0.03,24 1,25 16.235,26 -0.015,27 1,28 1.14,29 4,30 7.433,31 5.164,32 10.176,33 10.176,34 10.176,35 19.007,36 17.669,38 1.051,39 0.99,40 5.687,41 7.662,43 1,44 6.503,45 6.503,46 34.462,47 3.598,48 5.598,49 3.598,50 27.537,51 61.27,52 0.626,54 5,55 1,56 7,57 3.835,58 0.238,59 14.951,60 3.082,61 3.082,62 5.082,63 3.082,64 3,65 3,66 32.686,67 3.364,68 34.974,69 4,70 5.5}
{0 CHEMBL1986666,3 2.803,4 2,5 5,6 7,8 15.569,9 4.367,10 4.367,11 7.367,12 4.367,13 1,14 4.094,16 17.9,17 106.35,18 13.695,19 16.379,20 0.056,21 0.02,22 1.816,23 1,24 2,25 16.58,26 -0.183,27 1,28 0.622,30 7.475,31 4.291,32 9.816,33 9.816,34 9.816,35 19.467,36 18.08,38 0.888,39 1.013,40 4.595,41 6.581,43 1,44 6.417,45 6.417,46 40.027,47 3.608,48 5.608,49 3.608,50 21.251,51 34.15,52 0.503,53 2,54 5,55 2,56 7,57 3.579,58 0.201,59 15.253,60 2.988,61 2.988,62 4.988,63 2.988,64 4,65 4,66 32.391,67 4.4,68 34.643,69 6,70 6.8}
{0 CHEMBL1986767,4 1,5 1,6 5,8 11.771,9 4.068,10 4.068,11 7.068,12 4.068,14 4.037,16 10.8,17 81.836,18 13.027,19 19.232,20 0.066,21 0.03,23 1,25 15.789,26 0.096,28 0.966,29 4,30 7.429,31 5.525,32 11.831,33 11.831,34 11.831,35 18.548,36 17.26,38 0.981,39 1.032,40 4.844,41 7.05,43 1,44 6.974,45 6.974,46 23.511,47 3.779,48 5.779,49 3.779,50 15.399,51 24.849,52 0.146,56 4,57 3.424,58 0.066,59 14.575,60 3.319,61 3.319,62 5.319,63 3.319,64 1,65 1,66 34.632,67 2.982,68 37.09,70 7}
{0 CHEMBL1986781,4 1,5 2,6 4,8 43.158,9 4.679,10 4.679,11 7.679,12 4.679,14 4.17,16 11.5,18 14.089,19 19.41,20 0.067,21 0.019,22 0.43,24 1,25 17.108,26 -0.145,27 2,28 0.935,29 2,30 8.201,31 5.42,32 12.057,33 12.057,34 12.057,35 20.147,36 18.655,38 0.97,39 1.018,40 5.416,41 7.535,42 3,43 2,44 7.02,45 7.02,46 30.45,47 3.668,48 5.668,49 3.668,50 18.58,51 65.416,52 0.575,53 1,54 1,55 1,56 6,57 3.94,58 0.343,59 15.667,60 3.325,61 3.325,62 5.325,63 3.325,64 3,65 3,66 34.874,67 4.182,68 37.356,69 2,70 5.5}
{0 CHEMBL1986851,4 2,5 5,6 7,8 45.852,9 4.727,10 4.727,11 7.727,12 4.727,14 4.142,15 31.278,16 10.2,17 157.983,18 14.333,19 19.563,20 0.07,21 0.026,22 1.63,23 1,24 3,25 17.339,26 0.047,27 2,28 1.39,29 4,30 8.201,31 7.008,32 11.986,33 11.986,34 11.986,35 20.369,36 18.88,38 0.959,39 1.017,40 5.352,41 7.434,43 2,44 7.014,45 7.014,46 24.595,47 3.575,48 5.575,49 3.575,50 21.32,51 53.825,52 0.44,53 2,54 9,55 2,56 6,57 4.14,58 0.48,59 15.902,60 3.319,61 3.319,62 5.319,63 3.319,64 2,65 2,66 34.843,67 5.049,68 37.309,69 4,70 6.6}
{0 CHEMBL1986855,2 1,3 3.108,4 1,5 2,6 4,7 1,8 22.791,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.131,16 9.3,17 103.043,18 13.861,19 18.107,20 0.061,21 0.018,22 1.715,23 1,24 1,25 16.822,26 0.022,27 1,28 0.569,29 5,30 8.203,31 6.051,32 10.927,33 10.927,34 10.927,35 19.794,36 18.35,38 0.86,39 1.033,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 22.448,47 3.199,48 5.199,49 3.199,50 15.653,51 29.437,52 0.292,53 2,54 7,55 1,56 4,57 3.58,58 0.184,59 15.437,60 3.167,61 3.167,62 5.167,63 3.167,64 2,65 2,66 33.506,67 4.172,68 35.885,69 4,70 7.2}
{0 CHEMBL1986869,8 13.13,9 4.615,10 4.615,11 7.615,12 4.615,14 4.097,15 62.555,16 13.2,17 99.46,18 14.017,19 18.448,20 0.072,21 0.025,22 1.51,23 1,24 1,25 17.004,26 -0.119,27 1,28 0.775,29 5,30 7.429,31 5.519,32 11.1,33 11.1,34 11.1,35 20.007,36 18.534,38 0.857,39 1.048,40 5.416,41 7.506,43 1,44 6.789,45 6.789,46 17.525,47 3.623,48 5.623,49 3.623,50 13.107,51 37.579,52 0.323,53 2,54 3,56 5,57 3.681,58 0.221,59 15.58,60 3.237,61 3.237,62 5.237,63 3.237,64 3,65 3,66 33.78,67 3.689,68 36.166,69 2,70 5.5}
{0 CHEMBL1986943,1 1,2 1,3 3.149,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.125,15 39.149,16 11.9,17 90.419,18 13.769,19 18.109,20 0.058,21 0.017,22 1.817,23 1,25 16.756,26 0.111,27 1,28 0.507,29 2,30 6.449,31 3.617,32 10.928,33 10.928,34 10.928,35 19.748,36 18.285,37 6.202,38 0.918,39 0.979,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 20.57,47 3.205,48 5.205,49 3.205,50 13.245,51 45.561,52 0.447,53 2,54 5,55 3,56 5,57 3.72,58 0.218,59 15.34,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.51,67 3.213,68 35.889,69 6,70 7.5}
{0 CHEMBL1986970,3 2.935,4 2,5 4,6 8,8 4.901,9 4.429,10 4.429,11 7.429,12 4.429,13 1,14 4.13,16 11.8,17 119.2,18 13.909,19 19.034,20 0.071,21 0.023,22 1.877,23 1,25 16.836,26 0.119,28 1.035,29 1,30 7.428,31 6.281,32 11.685,33 11.685,34 11.685,35 19.766,36 18.337,38 1.076,39 0.992,40 5.352,41 7.413,44 6.942,45 6.942,46 22.285,47 3.733,48 5.733,49 3.733,50 16.403,51 62.797,52 0.498,53 2,54 1,55 2,56 6,57 4.038,58 0.313,59 15.454,60 3.264,61 3.264,62 5.264,63 3.264,64 3,65 3,66 34.467,67 3.706,68 36.911,69 2,70 5.5}
{0 CHEMBL1987007,3 3.086,4 1,5 1,6 5,7 1,8 4.115,9 4.611,10 4.611,11 7.611,12 4.611,13 1,14 4.131,15 31.278,16 9.1,18 13.856,19 18.238,20 0.07,21 0.019,22 1.891,25 16.879,26 -0.26,28 0.567,29 9,30 7.429,31 5.558,32 11.055,33 11.055,34 11.055,35 19.912,36 18.421,38 1.109,39 1.02,40 5.416,41 7.526,42 3,44 6.746,45 6.746,46 22.977,47 3.587,48 5.587,49 3.587,50 14.036,51 32.821,52 0.274,53 2,54 3,56 4,57 3.493,58 0.153,59 15.43,60 3.215,61 3.215,62 5.215,63 3.215,64 1,65 1,66 33.69,67 2.899,68 36.078,69 4,70 5.5}
{0 CHEMBL1987009,3 3.061,4 2,5 3,6 9,7 1,8 4.115,9 4.611,10 4.611,11 7.611,12 4.611,13 1,14 4.13,15 31.278,16 7,18 13.946,19 18.236,20 0.067,21 0.024,22 1.795,24 1,25 16.943,26 0.15,28 0.768,29 7,30 7.429,31 5.518,32 11.054,33 11.054,34 11.054,35 19.956,36 18.483,38 1.021,39 1.029,40 5.416,41 7.526,44 6.746,45 6.746,46 15.608,47 3.577,48 5.577,49 3.577,50 12.058,51 31.968,52 0.232,53 2,54 4,56 3,57 3.617,58 0.137,59 15.524,60 3.214,61 3.214,62 5.214,63 3.214,64 1,65 1,66 33.686,67 3.821,68 36.074,69 3,70 6.1}
{0 CHEMBL1987034,4 2,5 4,6 8,8 4.227,9 4.665,10 4.665,11 7.665,12 4.665,14 4.071,15 45.954,16 13.6,18 14.148,19 18.669,20 0.067,21 0.023,24 5,25 17.145,26 0.207,28 0.861,29 2,30 7.726,31 4.499,32 11.69,33 11.69,34 11.69,35 20.164,36 18.678,38 1.056,39 0.995,44 7.116,45 7.116,46 42.574,47 4.662,48 6.662,49 4.662,50 27.039,51 60.793,52 0.568,54 2,55 2,56 6,57 4.134,58 0.329,59 15.704,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 34.452,67 3.639,68 36.902,69 4,70 7.3}
{0 CHEMBL1987073,3 2.893,4 3,5 6,6 12,8 11.771,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.131,16 12.5,17 130.562,18 13.969,19 17.286,20 0.068,21 0.024,22 1.532,23 1,24 1,25 16.895,26 0.305,27 1,28 1.004,29 4,30 7.429,31 5.571,32 10.481,33 10.481,34 10.481,35 19.837,36 18.409,37 5.899,38 0.886,39 1.048,40 5.352,41 7.402,43 1,44 6.577,45 6.577,46 24.891,47 3.581,48 5.581,49 3.581,50 17.503,51 46.257,52 0.421,53 2,54 7,55 4,56 6,57 3.86,58 0.25,59 15.529,60 3.136,61 3.136,62 5.136,63 3.136,64 3,65 3,66 33.093,67 4.903,68 35.409,69 3,70 7.1}
{0 CHEMBL1987261,2 1,3 3.1,7 1,8 22.791,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.13,16 11.6,17 88.521,18 13.795,19 18.108,20 0.074,21 0.02,22 1.727,23 1,25 16.77,26 -0.078,27 1,28 0.583,29 5,30 8.203,31 5.92,32 10.928,33 10.928,34 10.928,35 19.756,36 18.295,38 1.001,39 0.984,40 4.727,41 6.843,43 1,44 6.715,45 6.715,46 16.949,47 3.228,48 5.228,49 3.228,50 11.114,51 57.366,52 0.46,53 2,54 5,55 1,56 5,57 3.513,58 0.215,59 15.357,60 3.186,61 3.186,62 5.186,63 3.186,64 2,65 2,66 34.086,67 3.208,68 36.465,69 5,70 7.4}
{0 CHEMBL1987359,4 2,5 5,6 5,9 4.701,10 4.701,11 7.701,12 4.701,14 4.146,16 5.9,18 14.01,19 20.41,20 0.076,21 0.026,22 1.652,24 1,25 17.074,26 -0.157,28 0.979,29 7,30 7.444,31 5.857,32 12.41,33 12.41,34 12.41,35 20.15,36 18.63,38 1.108,39 0.952,44 7.134,45 7.134,46 25.315,47 3.928,48 5.928,49 3.928,50 19.67,51 79.926,52 0.398,53 2,54 4,56 3,57 3.603,58 0.258,59 15.589,60 3.393,61 3.393,62 5.393,63 3.393,66 35.297,67 2.541,68 37.803,69 3,70 5.5}
{0 CHEMBL1987448,1 1,2 1,3 3.11,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.127,15 39.149,16 15.4,17 56.776,18 13.753,19 18.097,20 0.066,21 0.019,22 1.878,23 1,25 16.745,26 0.151,27 1,28 0.326,29 3,30 5.215,31 1.79,32 10.923,33 10.923,34 10.923,35 19.74,36 18.276,37 5.901,38 0.925,39 1.062,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 4.407,47 3.195,48 5.195,49 3.195,50 4.764,51 16.204,52 0.147,53 2,54 6,55 1,56 4,57 2.798,58 0.041,59 15.326,60 3.165,61 3.165,62 5.165,63 3.165,64 2,65 2,66 33.491,67 3.192,68 35.873,69 3,70 8.2}
{0 CHEMBL1987533,3 2.785,4 2,5 5,6 7,8 11.771,9 4.366,10 4.366,11 7.366,12 4.366,13 1,14 4.092,16 9.4,17 81.281,18 13.486,19 15.56,20 0.067,21 0.02,22 1.828,23 1,24 2,25 16.393,26 0.122,27 1,28 0.372,29 3,30 7.429,31 5.01,32 9.269,33 9.269,34 9.269,35 19.303,36 17.896,37 6.041,38 0.832,39 1.023,40 4.595,41 6.581,43 1,44 6.196,45 6.196,46 13.943,47 3.642,48 5.642,49 3.642,50 10.672,51 27.25,52 0.238,53 2,54 3,55 1,56 3,57 3.209,58 0.137,59 15.041,60 2.951,61 2.951,62 4.951,63 2.951,64 1,65 1,66 31.542,67 3.005,68 33.737,69 4,70 5.5}
{0 CHEMBL1987679,2 1,3 3.271,4 2,5 5,6 7,8 20.678,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.131,16 8,17 256.749,18 13.916,19 17.025,20 0.065,21 0.023,22 2.288,23 2,24 3,25 16.847,26 0.018,27 1,28 0.837,29 2,30 7.435,31 4.357,32 10.301,33 10.301,34 10.301,35 19.783,36 18.357,38 1.05,39 1.041,40 5.416,41 7.506,43 1,44 6.533,45 6.533,46 18.936,47 3.734,48 5.734,49 3.734,50 16.738,51 37.763,52 0.344,53 2,54 3,55 1,56 4,57 3.702,58 0.225,59 15.475,60 3.072,61 3.072,62 5.072,63 3.072,64 1,65 1,66 33.115,67 4.359,68 35.414,69 5,70 5.6}
{0 CHEMBL1987745,4 2,5 5,6 7,9 4.161,10 4.161,11 7.161,12 4.161,14 4.056,16 8.6,18 13.376,19 17.324,20 0.078,21 0.022,24 4,25 16.179,26 0.027,28 0.656,29 9,30 7.429,31 5.396,32 10.414,33 10.414,34 10.414,35 18.977,36 17.653,37 6.222,38 1.014,39 1.059,40 2.708,41 5.38,44 6.568,45 6.568,46 26.849,47 3.623,48 5.623,49 3.623,50 16.564,51 29.524,52 0.262,54 6,55 1,56 3,57 3.395,58 0.156,59 14.916,60 3.14,61 3.14,62 5.14,63 3.14,64 1,65 1,66 33.214,67 3.563,68 35.524,69 5,70 5.9}
{0 CHEMBL1987793,2 1,4 4,5 7,6 15,8 4.901,9 4.787,10 4.787,11 7.787,12 4.787,14 4.184,16 1.7,17 131.495,18 14.563,19 20.577,20 0.068,21 0.023,22 4.111,23 1,24 1,25 17.629,26 -0.015,28 1.254,29 17,30 7.475,31 5.445,32 12.901,33 12.901,34 12.901,35 20.703,36 19.19,38 1.159,39 1.014,40 4.949,41 7.248,44 7.247,45 7.247,46 14.016,47 3.697,48 5.697,49 3.697,50 14.838,51 24.057,52 0.253,53 4,54 2,55 1,56 1,57 3.865,58 0.264,59 16.156,60 3.435,61 3.435,62 5.435,63 3.435,66 35.852,67 5.038,68 38.396,70 6}
{0 CHEMBL1987910,4 2,5 4,6 8,8 19.121,9 4.626,10 4.626,11 7.626,12 4.626,14 4.106,15 31.278,16 8.9,17 133.971,18 14.101,19 19.753,20 0.079,21 0.028,22 1.882,23 1,24 2,25 17.089,26 -0.025,27 1,28 1.077,29 4,30 8.513,31 5.181,32 12.24,33 12.24,34 12.24,35 20.092,36 18.622,38 0.965,39 1.043,40 4.727,41 6.862,43 1,44 7.248,45 7.248,46 22.606,47 4.47,48 6.47,49 4.47,50 17.508,51 77.462,52 0.74,53 2,54 9,56 4,57 3.594,58 0.254,59 15.669,60 3.377,61 3.377,62 5.377,63 3.377,64 1,65 1,66 35.416,67 4.268,68 37.899,69 5,70 5.5}
{0 CHEMBL1987948,1 1,2 1,3 3.134,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.127,15 39.149,16 12.2,17 110.858,18 14.292,19 18.11,20 0.049,21 0.023,22 1.738,23 1,25 17.275,26 0.072,27 1,28 0.861,29 2,30 7.718,31 4.511,32 10.928,33 10.928,34 10.928,35 20.26,36 18.787,37 6.243,38 0.923,39 1.004,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 25.382,47 4.311,48 6.311,49 4.311,50 15.961,51 61.176,52 0.571,53 2,54 7,55 1,56 6,57 3.953,58 0.272,59 15.83,60 3.168,61 3.168,62 5.168,63 3.168,64 3,65 3,66 33.829,67 3.334,68 36.192,69 6,70 7.3}
{0 CHEMBL1988075,4 2,5 4,6 8,8 34.081,9 4.724,10 4.724,11 7.724,12 4.724,14 4.134,15 31.278,16 9.3,17 147.558,18 14.246,19 19.527,20 0.07,21 0.026,22 1.942,23 1,24 3,25 17.264,26 -0.031,27 1,28 1.271,29 9,30 8.201,31 5.313,32 11.976,33 11.976,34 11.976,35 20.306,36 18.818,38 1.015,39 1.052,40 4.727,41 6.88,43 1,44 7.012,45 7.012,46 24.25,47 3.563,48 5.563,49 3.563,50 18.938,51 38.742,52 0.309,53 2,54 9,55 1,56 5,57 3.937,58 0.33,59 15.835,60 3.313,61 3.313,62 5.313,63 3.313,64 2,65 2,66 34.812,67 5.258,68 37.281,69 5,70 6.8}
{0 CHEMBL1988153,4 1,5 2,6 4,8 2.104,9 4.545,10 4.545,11 7.545,12 4.545,14 4.094,15 31.278,16 8.3,17 105.504,18 13.968,19 18.597,20 0.078,21 0.024,22 1.594,23 1,24 2,25 16.913,26 -0.045,28 0.733,29 6,30 8.513,31 4.651,32 11.657,33 11.657,34 11.657,35 19.873,36 18.425,38 1.135,39 1.026,40 5.352,41 7.413,44 7.111,45 7.111,46 13.764,47 4.46,48 6.46,49 4.46,50 13.35,51 91.93,52 0.897,53 2,56 3,57 3.611,58 0.288,59 15.515,60 3.314,61 3.314,62 5.314,63 3.314,64 3,65 3,66 34.636,67 3.939,68 37.066,70 5.6}
{0 CHEMBL1988163,2 1,4 2,5 3,6 9,8 13.67,9 4.665,10 4.665,11 7.665,12 4.665,14 4.14,16 12.2,17 101.651,18 14.505,19 18.818,20 0.069,21 0.021,22 1.647,23 1,24 3,25 17.547,26 0.261,27 1,28 0.712,29 4,30 7.726,31 4.495,32 11.69,33 11.69,34 11.69,35 20.594,36 19.091,38 1.045,39 1.057,40 4.727,41 6.843,43 1,44 7.116,45 7.116,46 24.777,47 4.662,48 6.662,49 4.662,50 18.723,51 46.758,52 0.406,53 2,54 3,55 2,56 5,57 3.664,58 0.214,59 16.076,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 34.763,67 4.295,68 37.2,69 2,70 6.7}
{0 CHEMBL1988173,4 3,5 5,6 13,7 1,8 0.285,9 4.137,10 4.137,11 7.137,12 4.137,14 4.015,15 45.192,16 6.1,18 13.267,19 23.242,20 0.098,21 0.015,24 2,25 16.055,26 0.138,28 0.66,29 10,30 7.43,31 6.006,32 15.289,33 15.289,34 15.289,35 18.848,36 17.534,37 5.962,38 1.036,39 0.945,44 8.082,45 8.082,46 21.657,47 4.38,48 6.38,49 4.38,50 19.132,51 64.64,52 0.406,54 12,56 3,57 4.005,58 0.301,59 14.81,60 3.655,61 3.655,62 5.655,63 3.655,66 38.18,67 2.148,68 40.907,69 4,70 6.2}
{0 CHEMBL1988300,3 3.31,4 2,5 4,6 8,8 16.989,9 4.705,10 4.705,11 7.705,12 4.705,13 1,14 4.143,15 31.278,16 11.1,17 215.386,18 14.438,19 19.203,20 0.072,21 0.022,22 4.044,23 2,24 1,25 17.476,26 -0.147,27 1,28 0.761,29 10,30 5.195,31 2.224,32 11.822,33 11.822,34 11.822,35 20.519,36 19.024,38 1.025,39 1.1,40 5.416,41 7.545,43 1,44 6.972,45 6.972,46 5,47 3.299,48 5.299,49 3.299,50 6.325,51 24.045,52 0.17,53 4,54 6,56 5,57 3.789,58 0.228,59 16.023,60 3.286,61 3.286,62 5.286,63 3.286,64 2,65 2,66 34.64,67 5.808,68 37.094,69 5,70 5.5}
{0 CHEMBL1988331,1 1,2 1,3 3.202,4 1,5 3,6 3,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.131,15 39.149,16 8.9,17 100.584,18 13.982,19 18.107,20 0.076,21 0.018,22 1.926,23 1,25 16.937,26 0.148,27 1,28 0.563,29 6,30 5.103,31 2.168,32 10.927,33 10.927,34 10.927,35 19.897,36 18.455,37 6.279,38 0.759,39 1.035,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 18.538,47 3.21,48 5.21,49 3.21,50 13.028,51 24.097,52 0.157,53 2,54 9,55 1,56 4,57 3.774,58 0.243,59 15.545,60 3.167,61 3.167,62 5.167,63 3.167,64 2,65 2,66 33.615,67 4.216,68 35.98,69 4,70 6.4}
{0 CHEMBL1988387,4 2,5 4,6 8,8 30.892,9 4.726,10 4.726,11 7.726,12 4.726,14 4.139,15 31.278,16 10.7,17 164.949,18 14.271,19 19.547,20 0.066,21 0.026,22 1.899,23 1,24 3,25 17.284,26 0.117,27 2,28 1.341,29 5,30 8.365,31 5.348,32 11.979,33 11.979,34 11.979,35 20.323,36 18.83,38 1.07,39 1.036,40 5.352,41 7.424,43 2,44 7.013,45 7.013,46 28.448,47 3.563,48 5.563,49 3.563,50 23.089,51 32.994,52 0.491,53 2,54 8,55 3,56 6,57 3.981,58 0.35,59 15.847,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.82,67 5.064,68 37.288,69 5,70 6.9}
{0 CHEMBL1988437,3 3.076,4 2,5 5,6 7,8 2.757,9 4.514,10 4.514,11 7.514,12 4.514,13 1,14 4.114,15 32.22,16 8.7,17 111.673,18 13.87,19 17.118,20 0.069,21 0.022,22 1.916,23 1,24 2,25 16.821,26 -0.08,28 0.761,29 10,30 7.429,31 5.075,32 10.339,33 10.339,34 10.339,35 19.78,36 18.345,38 1.067,39 1.026,40 4.727,41 6.823,44 6.542,45 6.542,46 5.913,47 4.574,48 6.574,49 4.574,50 7.851,51 35.504,52 0.237,53 2,54 4,56 4,57 3.746,58 0.271,59 15.445,60 3.099,61 3.099,62 5.099,63 3.099,64 2,65 2,66 33.179,67 4.876,68 35.493,69 3,70 5.5}
{0 CHEMBL1988537,4 2,5 4,6 8,9 4.199,10 4.199,11 7.199,12 4.199,14 4.038,15 32.22,16 5.3,18 13.393,19 19.751,20 0.078,21 0.027,24 6,25 16.195,26 -0.15,28 1.111,29 6,30 7.428,31 6.241,32 12.143,33 12.143,34 12.143,35 18.999,36 17.67,37 6.326,38 1.011,39 1.021,44 7.057,45 7.057,46 18.34,47 4.632,48 6.632,49 4.632,50 16.56,51 26.643,52 0.31,56 2,57 3.769,58 0.213,59 14.929,60 3.337,61 3.337,62 5.337,63 3.337,64 1,65 1,66 34.988,67 3.412,68 37.473,70 5.5}
{0 CHEMBL1988594,4 2,5 3,6 9,8 18.375,9 4.613,10 4.613,11 7.613,12 4.613,14 4.069,15 31.278,16 13.3,17 133.859,18 13.929,19 18.549,20 0.061,21 0.017,22 1.206,23 1,24 3,25 16.928,26 -0.001,27 1,28 0.583,29 4,30 7.432,31 5.612,32 11.41,33 11.41,34 11.41,35 19.946,36 18.473,38 0.847,39 1.034,40 4.727,41 6.862,43 1,44 6.87,45 6.87,46 31.522,47 3.621,48 5.621,49 3.621,50 22.405,51 37.865,52 0.384,53 2,54 7,55 2,56 6,57 3.698,58 0.214,59 15.515,60 3.22,61 3.22,62 5.22,63 3.22,64 2,65 2,66 34.096,67 3.972,68 36.524,69 8,70 6}
{0 CHEMBL1988608,3 2.86,4 2,5 5,6 7,8 2.144,9 4.382,10 4.382,11 7.382,12 4.382,13 1,14 4.108,16 11.1,17 121.629,18 13.91,19 19.622,20 0.069,21 0.027,22 1.773,23 1,24 2,25 16.815,26 -0.26,28 0.927,29 2,30 7.43,31 4.179,32 11.622,33 11.622,34 11.622,35 19.721,36 18.306,38 0.92,39 0.976,40 4.595,41 6.581,44 6.951,45 6.951,46 34.011,47 3.602,48 5.602,49 3.602,50 22.035,51 50.516,52 0.433,53 2,54 1,56 5,57 3.761,58 0.322,59 15.447,60 3.299,61 3.299,62 5.299,63 3.299,64 1,65 1,66 34.391,67 4.736,68 36.825,69 5,70 5.5}
{0 CHEMBL1988662,3 2.968,4 1,5 4,6 2,8 4.472,9 4.621,10 4.621,11 7.621,12 4.621,13 1,14 4.128,16 11.4,17 91.259,18 13.879,19 18.123,20 0.065,21 0.025,22 1.715,23 1,24 1,25 16.912,26 -0.106,28 0.705,29 3,30 5.254,31 2.489,32 11.167,33 11.167,34 11.167,35 19.95,36 18.459,38 0.877,39 0.987,40 4.727,41 6.823,44 6.793,45 6.793,46 17.242,47 3.31,48 5.31,49 3.31,50 13.489,51 36.541,52 0.405,53 2,54 4,55 1,56 5,57 3.496,58 0.24,59 15.463,60 3.211,61 3.211,62 5.211,63 3.211,64 2,65 2,66 33.83,67 3.033,68 36.23,69 3,70 5.5}
{0 CHEMBL1988717,4 2,5 4,6 8,8 16.047,9 4.667,10 4.667,11 7.667,12 4.667,14 4.153,16 14.5,17 166.349,18 14.278,19 19.346,20 0.079,21 0.027,22 0.591,23 1,24 2,25 17.249,26 0.299,27 1,28 1.344,29 2,30 8.513,31 5.268,32 11.69,33 11.69,34 11.69,35 20.243,36 18.775,38 1.007,39 1.041,40 5.352,41 7.413,43 1,44 7.116,45 7.116,46 29.401,47 4.46,48 6.46,49 4.46,50 22.502,51 97.215,52 0.871,53 1,54 9,55 4,56 8,57 3.993,58 0.404,59 15.834,60 3.32,61 3.32,62 5.32,63 3.32,64 3,65 3,66 35.065,67 4.955,68 37.503,69 5,70 6.5}
{0 CHEMBL1988838,4 2,5 4,6 8,8 4.227,9 4.665,10 4.665,11 7.665,12 4.665,14 4.072,16 12,18 14.153,19 18.669,20 0.069,21 0.024,24 4,25 17.147,26 0.117,28 0.972,29 4,30 7.726,31 4.515,32 11.69,33 11.69,34 11.69,35 20.164,36 18.679,38 1.106,39 0.991,44 7.116,45 7.116,46 45.114,47 4.662,48 6.662,49 4.662,50 28.574,51 70.29,52 0.696,54 3,55 2,56 6,57 3.855,58 0.329,59 15.707,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 34.453,67 3.564,68 36.903,69 5,70 5.7}
{0 CHEMBL1989006,1 1,2 1,3 3.134,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.128,15 39.149,16 12.1,17 72.142,18 13.761,19 18.107,20 0.059,21 0.02,22 1.864,23 1,25 16.752,26 -0.035,27 1,28 0.472,29 3,30 6.456,31 2.855,32 10.927,33 10.927,34 10.927,35 19.746,36 18.283,37 6.058,38 1.032,39 0.988,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 13.316,47 3.201,48 5.201,49 3.201,50 8.817,51 21.154,52 0.227,53 2,54 6,55 1,56 4,57 3.382,58 0.084,59 15.334,60 3.166,61 3.166,62 5.166,63 3.166,64 2,65 2,66 33.502,67 3.207,68 35.882,69 3,70 7.1}
{0 CHEMBL1989029,3 2.532,4 1,5 2,6 4,8 4.815,9 4.184,10 4.184,11 7.184,12 4.184,13 1,14 4.043,16 8.6,17 72.601,18 13.322,19 17.288,20 0.079,21 0.028,23 1,24 1,25 16.169,26 -0.012,28 0.695,29 5,30 6.475,31 3.865,32 10.487,33 10.487,34 10.487,35 19.006,36 17.631,38 1.121,39 0.96,40 5.416,41 7.496,44 6.588,45 6.588,46 19.632,47 3.286,48 5.286,49 3.286,50 15.478,51 31.19,52 0.317,54 2,56 3,57 3.146,58 0.175,59 14.837,60 3.13,61 3.13,62 5.13,63 3.13,64 1,65 1,66 33.264,67 3.146,68 35.592,69 2,70 6}
{0 CHEMBL1989136,4 2,5 5,6 7,9 4.121,10 4.121,11 7.121,12 4.121,14 4.055,16 8.6,18 13.208,19 17.171,20 0.07,21 0.02,24 3,25 15.995,26 0.017,28 0.573,29 9,30 7.429,31 5.355,32 10.325,33 10.325,34 10.325,35 18.776,36 17.476,38 1,39 1.066,40 2.708,41 5.38,44 6.539,45 6.539,46 26.208,47 3.622,48 5.622,49 3.622,50 14.962,51 27.987,52 0.182,54 6,55 1,56 3,57 3.171,58 0.075,59 14.764,60 3.125,61 3.125,62 5.125,63 3.125,64 1,65 1,66 32.907,67 3.497,68 35.207,69 5,70 5.5}
{0 CHEMBL1989265,4 1,5 4,6 2,8 14.96,9 4.31,10 4.31,11 7.31,12 4.31,14 4.071,15 32.22,16 7,17 75.79,18 13.469,19 20.564,20 0.083,21 0.037,23 1,24 3,25 16.322,26 0.085,28 1.56,29 3,30 8.201,31 6.677,32 12.564,33 12.564,34 12.564,35 19.19,36 17.783,38 1.097,39 0.977,40 5.352,41 7.402,42 3,44 7.174,45 7.174,46 35.128,47 4.555,48 6.555,49 4.555,50 24.039,51 109.778,52 0.827,54 2,55 1,56 3,57 3.785,58 0.282,59 14.954,60 3.425,61 3.425,62 5.425,63 3.425,66 35.503,67 1.824,68 38.016,69 2,70 5.5}
{0 CHEMBL1989293,4 2,5 5,6 7,8 14.96,9 4.161,10 4.161,11 7.161,12 4.161,14 4.057,16 8.6,18 13.376,19 17.324,20 0.078,21 0.022,24 4,25 16.179,26 -0.037,28 0.656,29 8,30 8.201,31 5.941,32 10.414,33 10.414,34 10.414,35 18.977,36 17.653,38 1.015,39 1.065,40 2.708,41 5.38,44 6.568,45 6.568,46 26.87,47 3.623,48 5.623,49 3.623,50 16.59,51 33.306,52 0.327,54 6,55 1,56 3,57 3.294,58 0.156,59 14.916,60 3.14,61 3.14,62 5.14,63 3.14,64 1,65 1,66 33.214,67 3.563,68 35.524,69 5,70 6.2}
{0 CHEMBL1989474,4 1,5 2,6 4,8 26.731,9 4.249,10 4.249,11 7.249,12 4.249,14 4.052,16 13.3,18 13.212,19 18.112,20 0.069,21 0.025,24 1,25 16.063,26 -0.195,27 1,28 0.626,29 2,30 8.201,31 4.985,32 10.969,33 10.969,34 10.969,35 18.919,36 17.556,38 1.172,39 1.012,40 4.727,41 6.823,43 1,44 6.72,45 6.72,46 3.162,47 3.181,48 5.181,49 3.181,50 4.79,51 26.719,52 0.233,56 4,57 2.965,58 0.082,59 14.768,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.544,67 3.154,68 35.931,70 5.5}
{0 CHEMBL1989518,9 3.726,10 3.726,11 6.726,12 3.726,14 3.953,16 9.1,18 12.083,19 13.338,20 0.039,21 0.016,24 1,25 14.732,26 -0.208,28 0.271,29 2,30 5.04,31 1.916,32 7.764,33 7.764,34 7.764,35 17.362,36 16.271,38 1.118,39 0.96,44 5.607,45 5.607,46 5.612,47 2.928,48 4.928,49 2.928,50 5.204,51 17.438,52 0.102,56 3,57 2.944,58 0.053,59 13.748,60 2.711,61 2.711,62 4.711,63 2.711,64 2,65 2,66 28.918,67 2.778,68 30.926,70 5.5}
{0 CHEMBL1989569,3 3.226,4 2,5 5,6 7,8 2.144,9 4.567,10 4.567,11 7.567,12 4.567,13 1,14 4.134,16 9.1,17 95.119,18 13.836,19 17.909,20 0.068,21 0.03,22 1.36,23 1,24 1,25 16.829,26 -0.208,28 0.858,29 6,30 7.437,31 4.532,32 10.846,33 10.846,34 10.846,35 19.832,36 18.362,38 1.05,39 0.989,40 4.727,41 6.862,44 6.694,45 6.694,46 12.709,47 3.546,48 5.546,49 3.546,50 11.383,51 44.823,52 0.306,53 2,54 3,56 4,57 3.442,58 0.265,59 15.406,60 3.182,61 3.182,62 5.182,63 3.182,64 1,65 1,66 33.456,67 3.327,68 35.82,69 3,70 5.7}
{0 CHEMBL1989646,3 2.903,4 2,5 4,6 8,8 7.229,9 4.521,10 4.521,11 7.521,12 4.521,13 1,14 4.131,16 15.4,17 89.691,18 13.969,19 17.875,20 0.078,21 0.024,22 1.82,23 1,25 16.93,26 0.148,28 0.66,29 5,30 5.254,31 1.885,32 10.675,33 10.675,34 10.675,35 19.895,36 18.444,38 1.064,39 1.053,40 5.416,41 7.496,44 6.666,45 6.666,46 15.495,47 3.255,48 5.255,49 3.255,50 12.138,51 29.258,52 0.226,53 2,54 3,55 4,56 6,57 3.366,58 0.056,59 15.524,60 3.173,61 3.173,62 5.173,63 3.173,64 3,65 3,66 33.488,67 3.915,68 35.828,69 3,70 5.7}
{0 CHEMBL1989708,4 2,5 4,6 8,8 30.892,9 4.726,10 4.726,11 7.726,12 4.726,14 4.142,15 31.278,16 9.7,17 159.015,18 14.275,19 19.548,20 0.062,21 0.028,22 1.91,23 1,24 2,25 17.288,26 0.086,27 2,28 1.439,29 6,30 7.431,31 5.393,32 11.98,33 11.98,34 11.98,35 20.327,36 18.835,38 1.012,39 1.001,40 5.352,41 7.434,43 2,44 7.013,45 7.013,46 27.679,47 3.563,48 5.563,49 3.563,50 22.442,51 45.575,52 0.301,53 2,54 10,55 2,56 6,57 4.042,58 0.395,59 15.851,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.823,67 5.101,68 37.291,69 6,70 5.6}
{0 CHEMBL1989805,7 1,8 34.44,9 4.194,10 4.194,11 6.973,12 4.194,14 4.049,15 32.22,16 10.3,17 105.222,18 13.411,19 20.902,20 0.066,21 0.034,23 1,25 16.174,26 0.222,27 2,28 1.886,29 4,30 7.438,31 5.861,32 12.902,33 12.902,34 12.902,35 18.95,36 17.592,38 1.217,39 1.015,40 5.687,41 7.703,43 2,44 7.26,45 7.26,46 18.162,47 4.723,48 6.67,49 4.723,50 17.343,51 85.996,52 0.552,54 4,55 1,56 4,57 3.549,58 0.26,59 14.864,60 3.463,61 3.463,62 5.463,63 3.463,66 35.865,67 2.566,68 38.408,69 2,70 5.5}
{0 CHEMBL1990162,3 2.878,4 3,5 6,6 12,8 11.771,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.132,16 14.3,17 137.008,18 13.99,19 17.286,20 0.067,21 0.025,22 1.489,23 1,25 16.913,26 0.325,27 1,28 1.066,29 4,30 7.429,31 5.62,32 10.481,33 10.481,34 10.481,35 19.851,36 18.425,38 0.902,39 1.042,40 5.352,41 7.402,43 1,44 6.577,45 6.577,46 26.594,47 4.057,48 6.057,49 4.057,50 19.226,51 52.486,52 0.383,53 2,54 7,55 5,56 7,57 3.877,58 0.25,59 15.549,60 3.136,61 3.136,62 5.136,63 3.136,64 3,65 3,66 33.096,67 5.118,68 35.411,69 3,70 7.2}
{0 CHEMBL1990254,4 2,5 3,6 9,9 3.926,10 3.926,11 6.926,12 3.926,14 4.015,16 7,18 12.739,19 15.711,20 0.078,21 0.028,25 15.441,26 -0.038,28 0.806,29 6,30 7.429,31 5.458,32 9.268,33 9.268,34 9.268,35 18.133,36 16.944,38 0.952,39 0.993,44 6.215,45 6.215,46 11.74,47 3.589,48 5.589,49 3.589,50 8.567,51 38.151,52 0.184,54 6,56 3,57 3.342,58 0.156,59 14.343,60 2.947,61 2.947,62 4.947,63 2.947,64 1,65 1,66 31.821,67 2.98,68 34.018,69 2,70 5.5}
{0 CHEMBL1990288,4 2,5 3,6 9,8 43.158,9 4.679,10 4.679,11 7.679,12 4.679,14 4.17,16 10.4,18 14.121,19 19.41,20 0.065,21 0.019,22 0.44,24 1,25 17.133,26 -0.055,27 2,28 0.9,29 3,30 8.201,31 5.412,32 12.057,33 12.057,34 12.057,35 20.165,36 18.684,38 0.99,39 1.041,40 5.416,41 7.535,43 2,44 7.02,45 7.02,46 18.958,47 3.329,48 5.329,49 3.329,50 12.302,51 37.085,52 0.326,53 1,54 3,55 1,56 5,57 3.917,58 0.357,59 15.712,60 3.325,61 3.325,62 5.325,63 3.325,64 3,65 3,66 34.878,67 4.982,68 37.359,69 2,70 5.5}
{0 CHEMBL1990415,3 2.829,4 1,5 2,6 4,9 4.66,10 4.66,11 7.66,12 4.66,13 1,14 4.16,16 15.2,17 63.329,18 14.096,19 17.497,20 0.07,21 0.025,22 3.217,23 1,25 17.117,26 0.049,28 0.65,29 4,30 7.429,31 5.212,32 10.597,33 10.597,34 10.597,35 20.146,36 18.663,38 0.994,39 1.069,40 4.727,41 6.823,44 6.605,45 6.605,46 10.692,47 3.58,48 5.58,49 3.58,50 7.52,51 32.882,52 0.314,53 4,54 3,55 1,56 5,57 3.19,58 0.14,59 15.683,60 3.162,61 3.162,62 5.162,63 3.162,64 3,65 3,66 33.169,67 4.19,68 35.503,69 3,70 5.5}
{0 CHEMBL1990482,3 3.16,4 1,5 3,6 3,8 2.144,9 4.566,10 4.566,11 7.566,12 4.566,13 1,14 4.13,16 14.3,17 62.941,18 13.776,19 17.903,20 0.071,21 0.035,22 1.384,23 1,25 16.784,26 -0.315,28 0.657,29 6,30 7.437,31 4.319,32 10.841,33 10.841,34 10.841,35 19.797,36 18.323,38 1.1,39 1.048,40 4.727,41 6.862,44 6.694,45 6.694,46 2.351,47 3.546,48 5.546,49 3.546,50 2.824,51 29.752,52 0.244,53 2,54 2,56 4,57 2.765,58 0.063,59 15.356,60 3.179,61 3.179,62 5.179,63 3.179,64 2,65 2,66 33.434,67 3.248,68 35.801,69 3,70 5.5}
{0 CHEMBL1990496,4 3,5 4,6 12,8 1.899,9 4.394,10 4.394,11 7.394,12 4.394,14 4.115,16 8.1,18 13.834,19 19.439,20 0.066,21 0.024,22 2.194,25 16.732,26 -0.054,28 1.375,29 10,30 7.428,31 6.692,32 11.826,33 11.826,34 11.826,35 19.635,36 18.245,38 0.984,39 1.022,44 6.982,45 6.982,46 19.072,47 3.812,48 5.812,49 3.812,50 16.529,51 63.024,52 0.43,53 2,54 5,55 2,56 5,57 4.228,58 0.464,59 15.409,60 3.3,61 3.3,62 5.3,63 3.3,64 1,65 1,66 34.638,67 3.91,68 37.091,69 1,70 5.5}
{0 CHEMBL1990708,9 4.636,10 4.636,11 7.636,12 4.636,14 4.121,16 12.1,17 78.249,18 13.935,19 18.534,20 0.083,21 0.031,22 0.25,23 1,25 16.963,26 0.202,28 0.813,29 2,30 7.433,31 4.872,32 11.217,33 11.217,34 11.217,35 20,36 18.508,38 1.008,39 0.952,40 4.727,41 6.862,44 6.807,45 6.807,46 4.424,47 3.693,48 5.693,49 3.693,50 6.499,51 49.183,52 0.569,53 1,54 2,55 1,56 4,57 3.228,58 0.084,59 15.514,60 3.234,61 3.234,62 5.234,63 3.234,64 3,65 3,66 33.903,67 3.159,68 36.304,69 1,70 7.3}
{0 CHEMBL1990821,2 1,3 3.2,4 3,5 9,6 9,8 4.901,9 4.703,10 4.703,11 7.703,12 4.703,13 1,14 4.173,16 1.6,17 133.426,18 14.307,19 19.545,20 0.084,21 0.023,22 1.839,23 1,24 1,25 17.319,26 0.086,28 1.035,29 21,30 7.475,31 5.017,32 11.873,33 11.873,34 11.873,35 20.345,36 18.857,38 1.05,39 0.981,40 4.844,41 7.066,44 6.978,45 6.978,46 17.777,47 3.647,48 5.647,49 3.647,50 17.956,51 38.091,52 0.28,53 2,54 6,55 1,56 1,57 3.845,58 0.328,59 15.875,60 3.321,61 3.321,62 5.321,63 3.321,66 34.789,67 4.202,68 37.236,69 3,70 6.1}
{0 CHEMBL1990884,4 3,5 10,6 8,8 19.796,9 4.542,10 4.542,11 7.542,12 4.542,14 4.112,16 8.3,17 126.895,18 14.163,19 18.043,20 0.08,21 0.03,22 1.365,23 1,24 3,25 17.113,26 -0.038,28 1.119,29 4,30 8.201,31 6.747,32 10.726,33 10.726,34 10.726,35 20.071,36 18.625,38 0.812,39 1.034,40 4.727,41 6.843,44 6.7,45 6.7,46 25.585,47 3.547,48 5.547,49 3.547,50 20.28,51 72.193,52 0.498,53 2,54 8,56 4,57 3.663,58 0.326,59 15.711,60 3.151,61 3.151,62 5.151,63 3.151,64 1,65 1,66 33.743,67 4.314,68 36.083,69 4,70 5.5}
{0 CHEMBL1990885,2 1,3 3.187,4 1,5 3,6 3,8 20.474,9 4.332,10 4.332,11 7.332,12 4.332,13 1,14 4.085,16 7.1,17 128.978,18 13.707,19 18.419,20 0.086,21 0.028,23 1,24 2,25 16.591,26 -0.052,28 1.07,29 5,30 8.201,31 5.703,32 11.257,33 11.257,34 11.257,35 19.48,36 18.063,38 0.782,39 0.973,40 5.533,41 7.703,44 6.845,45 6.845,46 30.71,47 3.668,48 5.668,49 3.668,50 25.99,51 54.094,52 0.334,54 3,55 1,56 4,57 3.867,58 0.463,59 15.209,60 3.256,61 3.256,62 5.256,63 3.256,66 34.395,67 2.844,68 36.799,69 8,70 6.6}
{0 CHEMBL1990904,4 1,5 2,6 4,8 31.387,9 4.662,10 4.662,11 7.662,12 4.662,14 4.152,16 13.6,17 103.744,18 14.039,19 19.398,20 0.066,21 0.017,22 0.706,23 1,24 1,25 17.061,26 -0.184,27 1,28 0.751,29 2,30 8.201,31 5.374,32 12.053,33 12.053,34 12.053,35 20.097,36 18.611,38 1.037,39 1.055,40 5.861,41 7.769,42 2,43 1,44 7.018,45 7.018,46 13.162,47 3.321,48 5.321,49 3.321,50 9.533,51 35.409,52 0.329,53 1,54 1,56 6,57 3.816,58 0.197,59 15.629,60 3.319,61 3.319,62 5.319,63 3.319,64 4,65 4,66 34.863,67 4.301,68 37.346,69 1,70 5.5}
{0 CHEMBL1990912,4 1,5 3,6 3,8 2.328,9 4.396,10 4.396,11 7.396,12 4.396,14 4.097,16 8.6,18 13.468,19 16.092,20 0.061,21 0.023,22 2.203,25 16.403,26 -0.256,28 0.507,29 4,30 6.456,31 2.836,32 9.637,33 9.637,34 9.637,35 19.338,36 17.927,38 1.09,39 0.981,44 6.303,45 6.303,46 11.409,47 3.031,48 5.031,49 3.031,50 7.215,51 20.869,52 0.114,53 2,54 2,56 3,57 3.056,58 0.086,59 15.056,60 3.019,61 3.019,62 5.019,63 3.019,64 2,65 2,66 31.922,67 3.33,68 34.159,69 1,70 5.5}
{0 CHEMBL1991063,3 3.006,4 2,5 6,6 6,8 2.757,9 4.51,10 4.51,11 7.51,12 4.51,13 1,14 4.123,16 8.2,17 125.06,18 13.918,19 16.757,20 0.079,21 0.024,22 2.039,23 1,24 3,25 16.854,26 0.066,28 0.83,29 4,30 5.102,31 2.387,32 10.231,33 10.231,34 10.231,35 19.801,36 18.369,37 12.024,38 1.067,39 1.008,40 4.727,41 6.804,44 6.522,45 6.522,46 11.288,47 3.322,48 5.322,49 3.322,50 13.185,51 41.066,52 0.358,53 2,54 4,55 1,56 4,57 3.835,58 0.217,59 15.477,60 3.103,61 3.103,62 5.103,63 3.103,64 2,65 2,66 32.767,67 4.107,68 35.058,69 3,70 6.9}
{0 CHEMBL1991078,3 2.903,4 3,5 7,6 11,8 11.771,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.132,16 10.7,17 147.53,18 14.062,19 17.301,20 0.071,21 0.025,22 1.493,23 1,24 2,25 16.982,26 0.303,27 1,28 1.184,29 4,30 7.429,31 5.874,32 10.482,33 10.482,34 10.482,35 19.915,36 18.489,38 0.981,39 1.015,40 5.352,41 7.402,43 1,44 6.578,45 6.578,46 32.19,47 3.588,48 5.588,49 3.588,50 23.134,51 47.222,52 0.473,53 2,54 6,55 5,56 6,57 3.97,58 0.306,59 15.612,60 3.138,61 3.138,62 5.138,63 3.138,64 3,65 3,66 33.223,67 4.981,68 35.529,69 3,70 7.6}
{0 CHEMBL1991138,4 2,5 3,6 9,8 16.243,9 4.732,10 4.732,11 7.732,12 4.732,14 4.174,16 7.7,17 139.779,18 14.138,19 19.704,20 0.05,21 0.02,22 0.89,23 1,24 1,25 17.192,26 -0.048,27 1,28 0.983,29 14,30 5.227,31 2.574,32 12.159,33 12.159,34 12.159,35 20.265,36 18.756,38 1.043,39 1.031,40 5.352,41 7.445,42 4,43 1,44 7.053,45 7.053,46 23.807,47 3.437,48 5.437,49 3.437,50 23.655,51 44.792,52 0.421,53 1,54 1,55 1,56 5,57 4.051,58 0.282,59 15.736,60 3.356,61 3.356,62 5.356,63 3.356,64 2,65 2,66 35.015,67 4.071,68 37.501,70 5.5}
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{0 CHEMBL1991410,1 1,2 1,3 3.046,4 1,5 3,6 3,7 1,8 86.24,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.13,15 39.149,16 10.5,17 105.006,18 14.051,19 18.113,20 0.072,21 0.024,22 1.552,23 1,24 2,25 17.006,26 0.01,27 1,28 0.819,29 4,30 8.211,31 5.802,32 10.929,33 10.929,34 10.929,35 19.966,36 18.522,37 6.074,38 0.843,39 1.048,40 4.727,41 6.843,43 1,44 6.715,45 6.715,46 15.558,47 3.678,48 5.678,49 3.678,50 12.376,51 144.972,52 1.004,53 2,54 8,55 1,56 4,57 3.861,58 0.323,59 15.609,60 3.17,61 3.17,62 5.17,63 3.17,64 2,65 2,66 33.998,67 4.226,68 36.369,69 4,70 5.4}
{0 CHEMBL1991429,4 3,5 5,6 13,8 28.198,9 4.68,10 4.68,11 7.68,12 4.68,14 4.161,15 31.278,16 10,18 14.242,19 19.437,20 0.052,21 0.015,22 0.833,24 3,25 17.22,26 -0.129,27 2,28 1.087,29 11,30 7.43,31 5.745,32 12.063,33 12.063,34 12.063,35 20.227,36 18.763,38 0.96,39 1.054,40 5.778,41 7.854,42 2,43 2,44 7.021,45 7.021,46 48.926,47 3.766,48 5.766,49 3.766,50 30.162,51 56.127,52 0.356,53 1,54 5,55 1,56 7,57 4.437,58 0.526,59 15.825,60 3.327,61 3.327,62 5.327,63 3.327,64 3,65 3,66 34.95,67 6.531,68 37.421,69 5,70 5.5}
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{0 CHEMBL1991674,1 1,2 1,3 3.129,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.122,15 39.149,16 11.9,17 90.419,18 13.769,19 18.109,20 0.058,21 0.017,22 1.762,23 1,25 16.756,26 0.069,27 1,28 0.507,29 4,30 6.449,31 3.623,32 10.928,33 10.928,34 10.928,35 19.748,36 18.285,37 6.202,38 0.989,39 0.979,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 20.57,47 3.205,48 5.205,49 3.205,50 13.245,51 47.617,52 0.493,53 2,54 3,55 2,56 5,57 3.718,58 0.218,59 15.34,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.51,67 3.213,68 35.889,69 7,70 7.1}
{0 CHEMBL1991678,4 1,5 3,6 3,8 46.347,9 4.727,10 4.727,11 7.727,12 4.727,14 4.161,16 11.3,17 123.254,18 14.254,19 19.882,20 0.08,21 0.027,22 0.547,23 1,24 2,25 17.28,26 -0.169,27 1,28 1.393,29 2,30 8.211,31 6.657,32 12.286,33 12.286,34 12.286,35 20.327,36 18.829,38 0.908,39 0.962,40 4.844,41 7.081,43 1,44 7.084,45 7.084,46 17.662,47 3.411,48 5.411,49 3.411,50 14.665,51 144.74,52 1.144,53 1,54 1,56 6,57 4.156,58 0.508,59 15.831,60 3.365,61 3.365,62 5.365,63 3.365,64 4,65 4,66 35.299,67 4.323,68 37.78,69 2,70 5.5}
{0 CHEMBL1991725,2 1,3 3.315,4 2,5 5,6 7,8 13.915,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.138,16 7.7,17 165.817,18 14.159,19 17.052,20 0.061,21 0.02,22 4.445,23 1,24 1,25 17.119,26 -0.184,27 1,28 0.952,29 4,30 7.429,31 5.581,32 10.31,33 10.31,34 10.31,35 20.08,36 18.641,38 0.912,39 1.008,40 4.727,41 6.823,43 1,44 6.535,45 6.535,46 16.618,47 3.62,48 5.62,49 3.62,50 15.288,51 49.388,52 0.294,53 4,54 2,55 1,56 5,57 4.192,58 0.416,59 15.731,60 3.076,61 3.076,62 5.076,63 3.076,64 2,65 2,66 33.055,67 5.184,68 35.352,69 4,70 5.5}
{0 CHEMBL1991800,4 1,5 2,6 4,8 31.387,9 4.724,10 4.724,11 7.724,12 4.724,14 4.171,16 10,17 133.438,18 14.197,19 19.775,20 0.075,21 0.021,22 0.799,23 1,24 1,25 17.226,26 -0.152,27 1,28 1.202,29 3,30 8.201,31 5.626,32 12.232,33 12.232,34 12.232,35 20.279,36 18.78,38 0.95,39 0.976,40 5.861,41 7.784,42 2,43 1,44 7.066,45 7.066,46 16.338,47 3.376,48 5.376,49 3.376,50 14.25,51 83.282,52 0.702,53 1,54 1,56 6,57 4.175,58 0.489,59 15.779,60 3.355,61 3.355,62 5.355,63 3.355,64 4,65 4,66 35.239,67 4.103,68 37.717,69 2,70 5.5}
{0 CHEMBL1992220,1 1,2 1,3 3.162,7 1,8 60.166,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.125,15 39.149,16 13.2,17 121.303,18 13.783,19 18.109,20 0.056,21 0.016,22 1.801,23 1,25 16.762,26 0.1,27 1,28 0.625,29 2,30 7.431,31 4.685,32 10.928,33 10.928,34 10.928,35 19.751,36 18.289,37 6.275,38 0.98,39 0.99,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 32.737,47 3.545,48 5.545,49 3.545,50 21.23,51 51.997,52 0.502,53 2,54 8,55 4,56 7,57 3.908,58 0.288,59 15.349,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.515,67 3.265,68 35.892,69 7,70 7.5}
{0 CHEMBL1992231,4 2,5 4,6 8,8 18.758,9 3.951,10 3.951,11 6.951,12 3.951,14 3.975,16 13.9,18 12.932,19 16.379,20 0.057,21 0.019,24 3,25 15.643,26 -0.01,28 0.542,30 8.201,31 4.908,32 9.816,33 9.816,34 9.816,35 18.347,36 17.124,38 0.909,39 0.974,44 6.417,45 6.417,46 40.689,47 3.608,48 5.608,49 3.608,50 22.879,51 54.987,52 0.575,54 3,56 5,57 3.47,58 0.217,59 14.5,60 2.986,61 2.986,62 4.986,63 2.986,64 3,65 3,66 32.05,67 3.461,68 34.313,69 5,70 6.3}
{0 CHEMBL1992242,4 3,5 8,6 10,8 5.022,9 4.51,10 4.51,11 7.51,12 4.51,14 4.098,15 31.052,16 6.5,17 119.628,18 13.849,19 17.999,20 0.058,21 0.025,22 2.318,23 1,24 2,25 16.791,26 0.159,28 0.785,29 4,30 7.431,31 5.27,32 10.84,33 10.84,34 10.84,35 19.746,36 18.312,38 0.802,39 1.031,40 4.595,41 6.605,44 6.693,45 6.693,46 26.577,47 3.564,48 5.564,49 3.564,50 16.574,51 26.596,52 0.125,53 2,54 8,56 3,57 3.4,58 0.244,59 15.416,60 3.136,61 3.136,62 5.136,63 3.136,64 1,65 1,66 33.401,67 4.101,68 35.77,69 4,70 5.5}
{0 CHEMBL1992306,4 2,5 4,6 8,8 4.276,9 3.869,10 3.869,11 6.869,12 3.869,14 3.986,16 8.3,18 13.08,19 18.668,20 0.068,21 0.024,24 4,25 15.754,26 0.16,28 0.924,29 4,30 8.513,31 5.069,32 11.69,33 11.69,34 11.69,35 18.427,36 17.21,38 1.043,39 0.977,44 7.116,45 7.116,46 35.733,47 4.46,48 6.46,49 4.46,50 27.005,51 136.624,52 1.053,54 5,55 1,56 4,57 3.833,58 0.361,59 14.609,60 3.32,61 3.32,62 5.32,63 3.32,64 1,65 1,66 34.447,67 3.307,68 36.897,69 4,70 5.7}
{0 CHEMBL1992323,4 1,5 3,6 3,8 10.285,9 4.631,10 4.631,11 7.631,12 4.631,14 4.126,16 10,17 71.032,18 13.838,19 18.698,20 0.08,21 0.028,22 1.363,23 2,24 2,25 16.888,26 0.192,28 0.341,30 7.43,31 4.411,32 11.41,33 11.41,34 11.41,35 19.943,36 18.435,37 5.86,38 1.221,39 1.053,40 4.844,41 7.066,44 6.849,45 6.849,46 12.349,47 3.638,48 5.638,49 3.638,50 10.589,51 32.274,52 0.352,53 2,54 1,56 2,57 2.218,59 15.413,60 3.258,61 3.258,62 5.258,63 3.258,66 34.094,67 2.615,68 36.522,70 5.5}
{0 CHEMBL1992342,3 2.862,4 2,5 5,6 7,8 4.472,9 4.511,10 4.511,11 7.511,12 4.511,13 1,14 4.131,16 9.8,17 99.279,18 14.311,19 17.567,20 0.086,21 0.028,22 1.755,23 1,24 1,25 17.3,26 -0.172,28 0.712,29 6,30 7.716,31 4.774,32 11.041,33 11.041,34 11.041,35 20.291,36 18.815,38 1.049,39 1.023,40 4.727,41 6.804,44 6.74,45 6.74,46 5.975,47 4.458,48 6.458,49 4.458,50 8.618,51 52.077,52 0.33,53 2,54 5,56 4,57 3.319,58 0.231,59 15.852,60 3.216,61 3.216,62 5.216,63 3.216,64 1,65 1,66 33.951,67 3.282,68 36.326,69 5,70 5.5}
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{0 CHEMBL1992740,3 2.732,4 1,5 3,6 3,8 29.92,9 4.527,10 4.527,11 7.527,12 4.527,13 1,14 4.101,16 12.5,17 135.612,18 13.907,19 17.759,20 0.08,21 0.028,22 0.766,23 1,24 2,25 16.875,26 -0.018,28 1.045,29 4,30 8.239,31 6.116,32 10.642,33 10.642,34 10.642,35 19.849,36 18.392,38 0.842,39 0.991,40 4.727,41 6.823,44 6.645,45 6.645,46 29.373,47 3.599,48 5.599,49 3.599,50 22.362,51 86.306,52 0.732,53 2,54 1,55 1,56 7,57 3.884,58 0.332,59 15.46,60 3.162,61 3.162,62 5.162,63 3.162,64 3,65 3,66 33.487,67 3.165,68 35.826,69 3,70 6.1}
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{0 CHEMBL1994693,4 2,5 4,6 8,8 7.962,9 4.724,10 4.724,11 7.724,12 4.724,14 4.141,15 31.278,16 11.1,17 156.49,18 14.18,19 19.834,20 0.053,21 0.021,22 1.862,23 2,24 2,25 17.223,26 0.044,28 0.799,29 3,30 7.431,31 5.273,32 12.368,33 12.368,34 12.368,35 20.282,36 18.78,38 1.05,39 1.078,40 4.844,41 7.081,42 2,44 7.107,45 7.107,46 25.689,47 3.564,48 5.564,49 3.564,50 20.593,51 26.209,52 0.177,53 2,54 9,56 5,57 3.532,58 0.221,59 15.77,60 3.368,61 3.368,62 5.368,63 3.368,64 2,65 2,66 35.235,67 4.211,68 37.742,69 5,70 5.5}
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{0 CHEMBL1995832,4 1,5 3,6 3,8 51.162,9 4.73,10 4.73,11 7.73,12 4.73,14 4.157,16 11.1,17 127.995,18 14.263,19 19.925,20 0.078,21 0.028,22 0.36,23 1,24 2,25 17.289,26 -0.15,27 1,28 1.535,29 1,30 8.211,31 6.708,32 12.312,33 12.312,34 12.312,35 20.337,36 18.838,38 0.963,39 0.953,40 4.844,41 7.081,43 1,44 7.089,45 7.089,46 20.843,47 3.423,48 5.423,49 3.423,50 16.552,51 149.913,52 1.244,53 1,54 1,56 6,57 4.239,58 0.532,59 15.839,60 3.368,61 3.368,62 5.368,63 3.368,64 4,65 4,66 35.33,67 4.286,68 37.813,69 2,70 5.5}
{0 CHEMBL1995932,2 1,3 3.178,4 1,5 2,6 4,7 1,8 14.099,9 4.531,10 4.531,11 7.531,12 4.531,13 1,14 4.124,16 12.2,17 91.618,18 13.802,19 18.062,20 0.06,21 0.014,22 1.918,23 1,25 16.771,26 0.056,27 1,28 0.365,29 3,30 5.106,31 1.402,32 10.905,33 10.905,34 10.905,35 19.75,36 18.305,38 0.771,39 1.045,40 4.727,41 6.843,43 1,44 6.71,45 6.71,46 18.789,47 3.161,48 5.161,49 3.161,50 12.138,51 23.686,52 0.203,53 2,54 5,55 1,56 5,57 3.362,58 0.132,59 15.386,60 3.157,61 3.157,62 5.157,63 3.157,64 3,65 3,66 33.471,67 4.198,68 35.85,69 4,70 6.8}
{0 CHEMBL1996066,4 2,5 4,6 8,8 13.915,9 4.65,10 4.65,11 7.65,12 4.65,14 4.14,15 31.278,16 14.7,17 86.304,18 14.068,19 18.856,20 0.066,21 0.028,22 1.536,23 1,25 17.081,26 0.033,27 1,28 0.841,29 4,30 6.82,31 3.094,32 11.65,33 11.65,34 11.65,35 20.106,36 18.62,38 1.063,39 1.064,40 5.416,41 7.535,43 1,44 6.921,45 6.921,46 8.38,47 4.058,48 6.058,49 4.058,50 10.767,51 26.189,52 0.195,53 2,54 3,55 1,56 5,57 3.355,58 0.156,59 15.643,60 3.278,61 3.278,62 5.278,63 3.278,64 2,65 2,66 34.417,67 4.216,68 36.86,70 5.5}
{0 CHEMBL1996111,3 2.925,4 2,5 4,6 8,8 4.901,9 4.428,10 4.428,11 7.428,12 4.428,13 1,14 4.129,16 13.6,17 103.533,18 13.907,19 18.961,20 0.07,21 0.024,22 1.897,23 1,25 16.835,26 0.072,28 0.98,29 1,30 7.428,31 5.831,32 11.656,33 11.656,34 11.656,35 19.765,36 18.336,38 1.043,39 1.016,40 5.352,41 7.413,44 6.936,45 6.936,46 19.165,47 3.722,48 5.722,49 3.722,50 13.355,51 63.391,52 0.484,53 2,54 1,55 2,56 6,57 3.795,58 0.27,59 15.452,60 3.26,61 3.26,62 5.26,63 3.26,64 3,65 3,66 34.432,67 3.791,68 36.874,69 2,70 5.5}
{0 CHEMBL1996234,4 2,5 4,6 8,8 16.243,9 4.739,10 4.739,11 7.739,12 4.739,14 4.191,16 9.1,17 121.495,18 14.493,19 19.838,20 0.072,21 0.025,22 2.77,23 1,25 17.528,26 -0.056,27 1,28 1.267,29 14,30 6.448,31 4.251,32 12.271,33 12.271,34 12.271,35 20.575,36 19.078,38 1.005,39 1.024,40 4.844,41 7.081,42 2,43 1,44 7.082,45 7.082,46 11.545,47 3.595,48 5.595,49 3.595,50 11.248,51 43.82,52 0.338,53 3,54 1,55 1,56 5,57 4.006,58 0.382,59 16.076,60 3.429,61 3.429,62 5.429,63 3.429,64 3,65 3,66 35.458,67 5.17,68 37.935,69 3,70 5.5}
{0 CHEMBL1996339,1 1,2 1,3 3.158,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.128,15 39.149,16 12.1,17 72.142,18 13.761,19 18.107,20 0.059,21 0.02,22 1.917,23 1,25 16.753,26 0.052,27 1,28 0.472,29 5,30 5.103,31 1.983,32 10.927,33 10.927,34 10.927,35 19.746,36 18.283,37 6.094,38 1.014,39 1.024,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 14.367,47 3.201,48 5.201,49 3.201,50 10.101,51 18.221,52 0.165,53 2,54 6,55 1,56 4,57 3.315,58 0.084,59 15.334,60 3.166,61 3.166,62 5.166,63 3.166,64 2,65 2,66 33.502,67 3.294,68 35.882,69 4,70 7.3}
{0 CHEMBL1996447,3 2.958,4 1,5 4,6 2,8 4.472,9 4.621,10 4.621,11 7.621,12 4.621,13 1,14 4.127,16 10.3,17 79.173,18 13.878,19 18.123,20 0.065,21 0.027,22 1.734,23 1,24 1,25 16.911,26 -0.087,28 0.705,29 5,30 5.254,31 2.405,32 11.167,33 11.167,34 11.167,35 19.95,36 18.458,38 1.063,39 1.002,40 4.727,41 6.823,44 6.793,45 6.793,46 10.019,47 3.31,48 5.31,49 3.31,50 8.554,51 29.839,52 0.286,53 2,54 4,55 1,56 4,57 3.349,58 0.121,59 15.463,60 3.211,61 3.211,62 5.211,63 3.211,64 2,65 2,66 33.829,67 3.055,68 36.23,69 3,70 6.1}
{0 CHEMBL1996500,4 1,5 3,6 3,8 46.347,9 4.727,10 4.727,11 7.727,12 4.727,14 4.161,16 12,17 117.648,18 14.25,19 19.882,20 0.073,21 0.027,22 0.538,23 1,24 2,25 17.278,26 -0.184,27 1,28 1.393,29 2,30 8.211,31 6.614,32 12.286,33 12.286,34 12.286,35 20.326,36 18.827,38 0.935,39 0.961,40 4.844,41 7.081,43 1,44 7.084,45 7.084,46 17.95,47 3.411,48 5.411,49 3.411,50 15.053,51 112.431,52 0.92,53 1,54 1,56 6,57 4.119,58 0.487,59 15.828,60 3.365,61 3.365,62 5.365,63 3.365,64 4,65 4,66 35.207,67 4.311,68 37.695,69 2,70 5.5}
{0 CHEMBL1996587,4 1,5 3,6 3,8 32.677,9 4.595,10 4.595,11 7.595,12 4.595,14 4.163,16 12,17 104.558,18 14.355,19 20.845,20 0.09,21 0.027,22 0.547,23 1,24 2,25 17.338,26 -0.062,28 1.341,29 9,30 8.211,31 6.602,32 12.968,33 12.968,34 12.968,35 20.329,36 18.855,38 1.221,39 0.991,40 5.82,41 7.947,42 2,44 7.422,45 7.422,46 11.488,47 3.665,48 5.665,49 3.665,50 15.462,51 132.245,52 1.161,53 1,56 6,57 4.074,58 0.56,59 15.9,60 3.465,61 3.465,62 5.465,63 3.465,64 4,65 4,66 36.23,67 4.144,68 38.768,69 1,70 5.5}
{0 CHEMBL1996649,4 2,5 4,6 8,7 1,8 34.081,9 4.717,10 4.717,11 7.717,12 4.717,14 4.122,15 31.278,16 8.7,17 179.711,18 14.178,19 19.465,20 0.071,21 0.026,22 1.515,23 1,24 3,25 17.205,27 1,28 1.313,29 4,30 8.201,31 5.931,32 11.945,33 11.945,34 11.945,35 20.256,36 18.758,38 0.883,39 0.993,40 4.727,41 6.88,43 1,44 7.007,45 7.007,46 40.024,47 3.605,48 5.605,49 3.605,50 30.549,51 73.112,52 0.562,53 2,54 11,56 6,57 4.105,58 0.401,59 15.76,60 3.308,61 3.308,62 5.308,63 3.308,64 1,65 1,66 34.764,67 4.301,68 37.232,69 7,70 7.1}
{0 CHEMBL1996791,8 3.559,9 4.689,10 4.689,11 7.689,12 4.689,14 4.107,15 56.782,16 15.6,17 62.064,18 13.918,19 19.137,20 0.084,21 0.03,22 1.637,23 1,25 17.004,26 -0.175,28 0.549,29 4,30 6.449,31 3.56,32 11.754,33 11.754,34 11.754,35 20.092,36 18.564,38 1.605,39 0.964,40 4.844,41 7.05,42 6,44 6.957,45 6.957,46 12.222,47 3.411,48 5.411,49 3.411,50 13.404,51 45.978,52 0.436,53 2,54 1,55 1,56 5,57 3.348,58 0.082,59 15.503,60 3.292,61 3.292,62 5.292,63 3.292,64 3,65 3,66 34.518,67 2.096,68 36.974,69 3,70 5.9}
{0 CHEMBL1996817,2 1,3 3.186,4 1,5 1,6 5,8 16.586,9 4.631,10 4.631,11 7.631,12 4.631,13 1,14 4.125,16 8.1,17 73.196,18 13.841,19 18.811,20 0.061,21 0.017,22 1.764,23 1,25 16.894,26 0.023,27 1,28 0.434,29 3,30 5.149,31 2.309,32 11.616,33 11.616,34 11.616,35 19.948,36 18.449,38 1.072,39 0.998,40 4.727,41 6.862,43 1,44 6.908,45 6.908,46 5.814,47 3.312,48 5.312,49 3.312,50 5.392,51 24.898,52 0.282,53 2,54 2,56 3,57 3.087,58 0.084,59 15.437,60 3.24,61 3.24,62 5.24,63 3.24,64 2,65 2,66 34.342,67 3.17,68 36.789,69 2,70 7}
{0 CHEMBL1996831,4 1,5 2,6 4,9 4.63,10 4.63,11 7.63,12 4.63,14 4.139,16 2.6,17 56.05,18 13.964,19 19.783,20 0.07,21 0.027,22 1.563,23 1,25 16.98,26 -0.107,28 0.872,29 15,30 7.475,31 4.759,32 12.093,33 12.093,34 12.093,35 20.007,36 18.516,38 1.05,39 1.017,40 5.283,41 7.31,42 6,44 7.042,45 7.042,46 12.223,47 3.682,48 5.682,49 3.682,50 12.324,51 18.779,52 0.118,53 2,54 2,56 1,57 3.031,58 0.092,59 15.528,60 3.346,61 3.346,62 5.346,63 3.346,64 1,65 1,66 34.979,67 2.953,68 37.454,69 1,70 5.5}
{0 CHEMBL1996931,4 2,5 4,6 8,9 3.926,10 3.926,11 6.926,12 3.926,14 4.013,16 4.4,18 12.812,19 15.407,20 0.072,21 0.022,24 1,25 15.505,26 0.002,28 0.688,29 6,30 7.429,31 5.453,32 9.123,33 9.123,34 9.123,35 18.192,36 16.997,37 5.881,38 1.038,39 0.956,44 6.169,45 6.169,46 9.091,47 3.574,48 5.574,49 3.574,50 10.237,51 54.397,52 0.269,54 5,56 2,57 3.64,58 0.185,59 14.398,60 2.922,61 2.922,62 4.922,63 2.922,64 1,65 1,66 31.381,67 2.968,68 33.555,69 2,70 5.5}
{0 CHEMBL1996979,2 1,3 3.073,4 2,5 4,6 8,8 41.691,9 4.555,10 4.555,11 7.555,12 4.555,13 1,14 4.138,16 7.7,17 101.964,18 14.012,19 18.076,20 0.076,21 0.024,22 1.446,23 1,24 3,25 16.983,26 0.11,27 1,28 0.782,29 4,30 8.211,31 5.771,32 10.947,33 10.947,34 10.947,35 19.96,36 18.508,38 0.97,39 1.057,40 4.727,41 6.843,43 1,44 6.72,45 6.72,46 13.651,47 3.677,48 5.677,49 3.677,50 10.775,51 138.142,52 0.897,53 2,54 5,55 1,56 3,57 3.613,58 0.311,59 15.581,60 3.175,61 3.175,62 5.175,63 3.175,64 1,65 1,66 34.003,67 4.086,68 36.378,69 4,70 5.8}
{0 CHEMBL1996980,1 1,2 1,3 3.162,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.125,15 39.149,16 13.2,17 121.303,18 13.783,19 18.109,20 0.056,21 0.016,22 1.802,23 1,25 16.762,26 0.09,27 1,28 0.625,29 2,30 7.429,31 4.734,32 10.928,33 10.928,34 10.928,35 19.751,36 18.289,37 6.276,38 0.957,39 0.99,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 31.167,47 3.599,48 5.599,49 3.599,50 20.432,51 49.88,52 0.488,53 2,54 5,55 4,56 7,57 3.907,58 0.288,59 15.349,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.515,67 3.265,68 35.892,69 6,70 8}
{0 CHEMBL1997023,4 1,5 4,6 2,8 0.746,9 4.438,10 4.438,11 7.438,12 4.438,14 4.071,15 31.052,16 10.3,17 71.492,18 13.534,19 17.077,20 0.091,21 0.036,22 1.846,23 1,24 2,25 16.474,26 -0.158,28 0.799,30 7.53,31 4.219,32 10.27,33 10.27,34 10.27,35 19.425,36 17.976,38 1.151,39 0.931,40 4.595,41 6.581,44 6.522,45 6.522,46 18.742,47 3.846,48 5.846,49 3.846,50 13.524,51 44.031,52 0.385,53 2,56 3,57 3.167,58 0.063,59 15.066,60 3.114,61 3.114,62 5.114,63 3.114,64 1,65 1,66 32.699,67 2.281,68 35.006,69 1,70 5.5}
{0 CHEMBL1997025,3 3.076,4 2,5 6,6 6,8 17.104,9 4.574,10 4.574,11 7.574,12 4.574,13 1,14 4.141,16 9.1,17 99.627,18 13.95,19 18.014,20 0.078,21 0.036,22 1.121,23 1,24 1,25 16.933,26 -0.206,28 1.153,29 6,30 8.201,31 6.706,32 10.921,33 10.921,34 10.921,35 19.926,36 18.457,38 1.01,39 1.038,40 4.727,41 6.862,42 2,44 6.715,45 6.715,46 13.159,47 3.547,48 5.547,49 3.547,50 13.796,51 66.7,52 0.478,53 2,54 6,56 4,57 3.506,58 0.171,59 15.508,60 3.204,61 3.204,62 5.204,63 3.204,64 1,65 1,66 33.736,67 3.315,68 36.093,69 5,70 5.5}
{0 CHEMBL1997129,2 1,3 3.369,4 1,5 1,6 5,8 5.513,9 4.187,10 4.187,11 7.187,12 4.187,13 1,14 4.081,16 7.3,17 93.429,18 13.256,19 17.208,20 0.06,21 0.019,23 1,25 16.06,26 -0.086,28 0.497,29 8,30 7.429,31 4.902,32 10.403,33 10.403,34 10.403,35 18.867,36 17.534,38 0.968,39 1.046,40 4.727,41 6.862,42 1,44 6.557,45 6.557,46 6.909,47 3.616,48 5.616,49 3.616,50 7.745,51 33.678,52 0.242,56 3,57 3.403,58 0.121,59 14.796,60 3.134,61 3.134,62 5.134,63 3.134,64 1,65 1,66 32.889,67 3.802,68 35.209,69 6,70 6.6}
{0 CHEMBL1997340,3 2.888,4 1,5 3,6 3,8 7.593,9 4.393,10 4.393,11 7.393,12 4.393,13 1,14 4.119,16 10.3,17 92.46,18 13.649,19 16.855,20 0.078,21 0.024,22 1.901,23 1,25 16.555,26 0.165,28 0.632,29 1,30 7.428,31 5.438,32 9.954,33 9.954,34 9.954,35 19.466,36 18.042,38 0.94,39 0.975,40 5.283,41 7.286,42 3,44 6.446,45 6.446,46 8.387,47 3.7,48 5.7,49 3.7,50 8.524,51 71.614,52 0.665,53 2,54 1,55 2,56 4,57 3.306,58 0.162,59 15.174,60 3.077,61 3.077,62 5.077,63 3.077,64 2,65 2,66 32.651,67 2.99,68 34.912,69 3,70 5.5}
{0 CHEMBL1997349,4 2,5 5,6 7,8 2.144,9 4.686,10 4.686,11 7.686,12 4.686,14 4.172,16 10.4,17 224.095,18 14.512,19 20.48,20 0.091,21 0.032,22 1.227,23 2,24 3,25 17.506,26 -0.075,28 1.775,29 13,30 7.428,31 6.52,32 12.48,33 12.48,34 12.48,35 20.512,36 19.03,37 12.113,38 1.118,39 1.013,40 5.533,41 7.735,44 7.153,45 7.153,46 23.787,47 4.099,48 6.099,49 4.099,50 21.636,51 53.408,52 0.597,53 2,54 4,56 5,57 4.177,58 0.442,59 16.063,60 3.421,61 3.421,62 5.421,63 3.421,64 2,65 2,66 35.545,67 5.186,68 38.038,69 1,70 5.7}
{0 CHEMBL1997503,4 2,5 5,6 7,9 4.111,10 4.111,11 7.111,12 4.111,14 4.038,16 5.5,18 13.293,19 16.232,20 0.074,21 0.026,24 3,25 16.05,26 -0.001,28 0.997,29 18,30 7.474,31 4.118,32 9.674,33 9.674,34 9.674,35 18.813,36 17.5,37 6.31,38 1.148,39 0.947,40 5.283,41 7.286,42 4,44 6.321,45 6.321,46 31.167,47 3.729,48 5.729,49 3.729,50 20.677,51 80.563,52 0.649,54 2,55 1,56 3,57 3.718,58 0.3,59 14.799,60 3.037,61 3.037,62 5.037,63 3.037,64 2,65 2,66 32.279,67 3.295,68 34.497,69 5,70 5.5}
{0 CHEMBL1997534,3 3.03,4 2,5 5,6 7,8 4.861,9 4.52,10 4.52,11 7.52,12 4.52,13 1,14 4.133,15 31.278,16 5.8,17 127.006,18 14.043,19 17.384,20 0.087,21 0.03,22 2.124,23 1,24 1,25 16.981,26 -0.087,28 1.122,29 10,30 7.429,31 5.858,32 10.508,33 10.508,34 10.508,35 19.929,36 18.486,38 1.034,39 1.001,40 5.416,41 7.506,44 6.597,45 6.597,46 20.996,47 3.599,48 5.599,49 3.599,50 17.871,51 33.839,52 0.228,53 2,54 3,56 3,57 3.858,58 0.323,59 15.583,60 3.164,61 3.164,62 5.164,63 3.164,64 1,65 1,66 33.367,67 3.875,68 35.682,69 4,70 5.5}
{0 CHEMBL1997554,4 2,5 3,6 9,8 4.227,9 4.088,10 4.088,11 7.088,12 4.088,14 3.998,16 12.2,18 13.261,19 19.811,20 0.07,21 0.03,24 2,25 16.031,26 -0.319,28 1.118,29 2,30 8.513,31 5.337,32 12.258,33 12.258,34 12.258,35 18.8,36 17.502,38 0.9,39 1.005,44 7.25,45 7.25,46 42.571,47 4.47,48 6.47,49 4.47,50 24.421,51 103.043,52 1.068,54 5,56 5,57 3.981,58 0.353,59 14.8,60 3.385,61 3.385,62 5.385,63 3.385,64 2,65 2,66 35.134,67 3.296,68 37.628,69 6,70 8.4}
{0 CHEMBL1997597,3 2.856,4 2,5 5,6 7,8 4.472,9 4.511,10 4.511,11 7.511,12 4.511,13 1,14 4.131,16 10.5,17 92.449,18 14.309,19 17.474,20 0.089,21 0.03,22 1.752,23 1,24 1,25 17.298,26 -0.133,28 0.712,29 6,30 7.716,31 4.543,32 10.948,33 10.948,34 10.948,35 20.288,36 18.812,38 1.119,39 1.032,40 4.727,41 6.804,44 6.727,45 6.727,46 5.975,47 4.451,48 6.451,49 4.451,50 8.618,51 53.499,52 0.367,53 2,54 4,56 4,57 3.225,58 0.211,59 15.849,60 3.209,61 3.209,62 5.209,63 3.209,64 1,65 1,66 33.867,67 3.293,68 36.233,69 5,70 5.5}
{0 CHEMBL1997617,2 1,4 2,5 3,6 9,8 14.099,9 4.731,10 4.731,11 7.731,12 4.731,14 4.166,16 8.6,17 153.599,18 14.136,19 19.668,20 0.069,21 0.023,22 1.876,23 1,24 2,25 17.189,26 0.03,27 1,28 1.237,29 14,30 5.235,31 2.485,32 12.141,33 12.141,34 12.141,35 20.261,36 18.753,38 1.028,39 1.017,40 4.844,41 7.081,42 6,43 1,44 7.049,45 7.049,46 34.175,47 3.388,48 5.388,49 3.388,50 28.063,51 42.55,52 0.436,53 2,54 1,56 6,57 4.053,58 0.372,59 15.733,60 3.345,61 3.345,62 5.345,63 3.345,64 2,65 2,66 34.996,67 4.009,68 37.479,69 1,70 5.5}
{0 CHEMBL1997643,3 2.904,4 3,5 6,6 12,8 11.771,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.132,16 11.5,17 132.935,18 14.023,19 17.423,20 0.067,21 0.023,22 1.518,23 1,24 1,25 16.952,26 0.276,27 1,28 1.011,29 3,30 7.429,31 5.803,32 10.507,33 10.507,34 10.507,35 19.892,36 18.464,38 0.877,39 1.033,40 5.352,41 7.402,43 1,44 6.587,45 6.587,46 29.545,47 3.618,48 5.618,49 3.618,50 20.215,51 51.228,52 0.52,53 2,54 7,55 4,56 6,57 3.93,58 0.243,59 15.581,60 3.143,61 3.143,62 5.143,63 3.143,64 3,65 3,66 33.379,67 4.999,68 35.695,69 3,70 7.7}
{0 CHEMBL1997764,2 1,3 3.174,4 2,5 3,6 9,8 11.771,9 4.555,10 4.555,11 7.555,12 4.555,13 1,14 4.138,16 7,17 106.443,18 13.871,19 18.073,20 0.072,21 0.023,22 1.745,23 1,24 2,25 16.84,26 -0.042,27 1,28 0.733,29 6,30 7.429,31 5.455,32 10.945,33 10.945,34 10.945,35 19.823,36 18.373,38 0.931,39 1.032,40 4.727,41 6.843,43 1,44 6.718,45 6.718,46 15.343,47 3.573,48 5.573,49 3.573,50 11.833,51 33.514,52 0.2,53 2,54 5,55 1,56 3,57 3.532,58 0.239,59 15.45,60 3.171,61 3.171,62 5.171,63 3.171,64 1,65 1,66 33.555,67 4.017,68 35.931,69 4,70 5.5}
{0 CHEMBL1997822,2 1,3 3.344,4 2,5 5,6 7,8 19.746,9 4.742,10 4.742,11 7.742,12 4.742,13 1,14 4.189,15 31.278,16 6.1,17 216.318,18 14.907,19 19.593,20 0.081,21 0.03,22 4.135,23 2,24 1,25 17.969,26 -0.057,27 1,28 1.334,29 12,30 7.716,31 4.996,32 12.003,33 12.003,34 12.003,35 21.034,36 19.517,38 0.995,39 1.082,40 5.416,41 7.535,43 1,44 7.121,45 7.121,46 6.455,47 5.18,48 7.18,49 5.18,50 8.74,51 41.593,52 0.214,53 4,54 4,56 3,57 4.181,58 0.536,59 16.479,60 3.35,61 3.35,62 5.35,63 3.35,64 1,65 1,66 35.364,67 5.457,68 37.826,69 5,70 5.5}
{0 CHEMBL1997846,1 1,2 1,3 3.152,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.122,15 39.149,16 12.2,17 84.619,18 13.767,19 18.109,20 0.049,21 0.016,22 1.825,23 1,25 16.755,26 0.074,27 1,28 0.451,29 4,30 5.146,31 2.108,32 10.928,33 10.928,34 10.928,35 19.748,36 18.285,37 6.219,38 0.993,39 1.026,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 19.407,47 3.205,48 5.205,49 3.205,50 11.088,51 31.937,52 0.355,53 2,54 4,55 1,56 5,57 3.648,58 0.14,59 15.338,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.509,67 3.215,68 35.888,69 5,70 6.2}
{0 CHEMBL1997872,2 1,3 3.087,4 1,5 2,6 4,8 11.771,9 4.391,10 4.391,11 7.391,12 4.391,13 1,14 4.118,16 7.5,17 88.279,18 13.61,19 16.737,20 0.074,21 0.021,22 1.932,23 1,25 16.519,26 0.057,27 1,28 0.587,29 5,30 7.428,31 5.604,32 9.88,33 9.88,34 9.88,35 19.431,36 18.018,38 1.12,39 1.03,40 4.595,41 6.581,43 1,44 6.427,45 6.427,46 9.739,47 3.696,48 5.696,49 3.696,50 8.912,51 41.58,52 0.258,53 2,54 1,56 3,57 3.37,58 0.122,59 15.157,60 3.053,61 3.053,62 5.053,63 3.053,64 1,65 1,66 32.581,67 3.236,68 34.837,69 2,70 5.5}
{0 CHEMBL1998068,1 1,2 1,3 3.172,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.129,15 39.149,16 10.3,17 82.883,18 13.765,19 18.109,20 0.061,21 0.021,22 1.911,23 1,25 16.755,26 0.004,27 1,28 0.556,29 4,30 5.103,31 2.059,32 10.927,33 10.927,34 10.927,35 19.748,36 18.284,37 6.17,38 0.834,39 0.983,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 19.348,47 3.204,48 5.204,49 3.204,50 12.555,51 26.342,52 0.283,53 2,54 6,55 1,56 4,57 3.556,58 0.185,59 15.337,60 3.167,61 3.167,62 5.167,63 3.167,64 2,65 2,66 33.506,67 3.208,68 35.886,69 4,70 7.2}
{0 CHEMBL1998112,4 2,5 5,6 7,8 11.771,9 4.52,10 4.52,11 7.52,12 4.52,14 4.131,16 10.4,17 114.293,18 14.027,19 17.58,20 0.079,21 0.024,22 0.698,23 1,24 3,25 16.962,26 0.08,27 1,28 1.021,30 7.437,31 4.762,32 10.565,33 10.565,34 10.565,35 19.905,36 18.471,38 0.889,39 1.007,40 4.595,41 6.605,43 1,44 6.596,45 6.596,46 28.736,47 3.539,48 5.539,49 3.539,50 19.544,51 37.472,52 0.406,53 1,54 5,55 1,56 5,57 3.979,58 0.404,59 15.578,60 3.157,61 3.157,62 5.157,63 3.157,64 2,65 2,66 33.439,67 4.256,68 35.754,69 3,70 5.5}
{0 CHEMBL1998121,3 2.874,4 2,5 6,6 6,8 2.144,9 4.366,10 4.366,11 7.366,12 4.366,13 1,14 4.101,16 10,17 107.206,18 13.599,19 16.849,20 0.086,21 0.027,22 1.841,23 1,24 3,25 16.49,26 -0.053,28 0.795,29 8,30 7.428,31 5.707,32 10.044,33 10.044,34 10.044,35 19.388,36 17.983,37 12.021,38 0.984,39 0.999,40 4.595,41 6.581,44 6.473,45 6.473,46 19.461,47 3.795,48 5.795,49 3.795,50 15.022,51 47.585,52 0.36,53 2,54 3,55 1,56 4,57 3.83,58 0.238,59 15.137,60 3.042,61 3.042,62 5.042,63 3.042,64 1,65 1,66 32.613,67 2.871,68 34.886,69 6,70 6.2}
{0 CHEMBL1998193,8 8.552,9 3.476,10 3.476,11 6.476,12 3.476,14 3.905,16 12,18 11.741,19 12.803,20 0.035,21 0.012,24 2,25 14.266,26 0.106,28 0.292,30 7.433,31 4.664,32 7.392,33 7.392,34 7.392,35 16.785,36 15.858,38 1.007,39 0.942,44 5.484,45 5.484,46 26.661,47 3.545,48 5.545,49 3.545,50 20.284,51 55.331,52 0.368,54 6,56 6,57 3.28,58 0.09,59 13.449,60 2.626,61 2.626,62 4.626,63 2.626,64 2,65 2,66 28.729,67 1.701,68 30.7,69 4,70 5.5}
{0 CHEMBL1998414,3 2.91,4 1,5 2,6 4,7 1,8 4.115,9 4.562,10 4.562,11 7.562,12 4.562,13 1,14 4.103,15 31.278,16 8.6,18 13.79,19 17.06,20 0.083,21 0.025,22 1.887,24 1,25 16.782,26 0.279,28 0.455,29 3,30 7.429,31 5.108,32 10.387,33 10.387,34 10.387,35 19.787,36 18.312,37 5.84,38 1.061,39 1.012,40 5.416,41 7.506,44 6.561,45 6.561,46 8.296,47 3.573,48 5.573,49 3.573,50 11.772,51 35.089,52 0.262,53 2,54 3,56 3,57 3.287,58 0.161,59 15.351,60 3.141,61 3.141,62 5.141,63 3.141,64 1,65 1,66 32.809,67 2.683,68 35.136,69 3,70 5.5}
{0 CHEMBL1998432,1 1,2 1,3 3.161,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.125,15 39.149,16 14,17 89.587,18 13.77,19 18.11,20 0.053,21 0.019,22 1.841,23 1,25 16.756,26 0.139,27 1,28 0.563,29 2,30 5.141,31 2.112,32 10.928,33 10.928,34 10.928,35 19.749,36 18.285,37 6.223,38 0.876,39 1.02,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 24.407,47 3.205,48 5.205,49 3.205,50 14.25,51 39.189,52 0.381,53 2,54 7,55 1,56 6,57 3.71,58 0.185,59 15.34,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.513,67 3.213,68 35.891,69 6,70 7.2}
{0 CHEMBL1998470,1 1,2 1,3 3.125,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.129,15 39.149,16 10.8,17 82.883,18 13.776,19 18.109,20 0.061,21 0.021,22 1.803,23 1,25 16.761,26 0.076,27 1,28 0.556,29 5,30 7.429,31 4.724,32 10.927,33 10.927,34 10.927,35 19.751,36 18.289,37 6.09,38 0.879,39 1.003,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 12.39,47 3.592,48 5.592,49 3.592,50 9.653,51 35.141,52 0.284,53 2,54 7,55 1,56 4,57 3.497,58 0.185,59 15.345,60 3.167,61 3.167,62 5.167,63 3.167,64 2,65 2,66 33.506,67 3.283,68 35.886,69 4,70 7}
{0 CHEMBL1998545,4 2,5 3,6 9,9 3.926,10 3.926,11 6.926,12 3.926,14 4.012,16 4.4,18 12.685,19 15.407,20 0.063,21 0.021,25 15.384,26 0.007,28 0.632,29 5,30 7.429,31 5.42,32 9.123,33 9.123,34 9.123,35 18.076,36 16.895,38 1.011,39 0.956,44 6.169,45 6.169,46 8.45,47 3.574,48 5.574,49 3.574,50 8.636,51 48.119,52 0.218,54 5,56 2,57 3.455,58 0.144,59 14.3,60 2.922,61 2.922,62 4.922,63 2.922,64 1,65 1,66 31.373,67 2.944,68 33.548,69 2,70 5.5}
{0 CHEMBL1998585,4 2,5 5,6 7,8 33.335,9 4.626,10 4.626,11 7.626,12 4.626,14 4.093,15 31.278,16 11.4,17 142.291,18 14.128,19 18.877,20 0.084,21 0.028,22 1.471,23 1,24 3,25 17.105,26 0.094,27 1,28 1.132,29 2,30 8.513,31 5.798,32 11.704,33 11.704,34 11.704,35 20.101,36 18.634,38 0.988,39 1.04,40 4.727,41 6.862,43 1,44 7.119,45 7.119,46 24.778,47 4.461,48 6.461,49 4.461,50 19.296,51 160.282,52 1.085,53 2,54 7,56 5,57 3.813,58 0.304,59 15.689,60 3.328,61 3.328,62 5.328,63 3.328,64 2,65 2,66 35.025,67 4.22,68 37.471,69 4,70 6.4}
{0 CHEMBL1998611,4 1,5 4,6 2,8 2.104,9 4.736,10 4.736,11 7.736,12 4.736,14 4.09,15 77.232,16 9.5,17 51.4,18 14.044,19 19.199,20 0.102,21 0.039,22 1.527,23 1,24 3,25 17.135,26 0.212,28 0.427,29 1,30 7.437,31 4.108,32 11.802,33 11.802,34 11.802,35 20.234,36 18.698,37 6.006,38 1.222,39 1.029,40 4.844,41 7.066,44 6.989,45 6.989,46 8.379,47 3.602,48 5.602,49 3.602,50 9.232,51 39.024,52 0.263,53 2,54 3,56 2,57 1.22,59 15.626,60 3.315,61 3.315,62 5.315,63 3.315,66 34.568,67 2.233,68 37.03,69 1,70 5.5}
{0 CHEMBL1998826,3 2.984,4 1,5 3,6 3,8 2.144,9 4.51,10 4.51,11 7.51,12 4.51,13 1,14 4.128,16 8.9,17 104.127,18 14.336,19 17.966,20 0.091,21 0.028,22 2.059,23 1,24 1,25 17.328,26 -0.272,28 0.767,29 2,30 7.716,31 4.375,32 11.337,33 11.337,34 11.337,35 20.322,36 18.844,38 0.911,39 0.982,40 4.727,41 6.804,44 7.053,45 7.053,46 13.564,47 4.37,48 6.37,49 4.37,50 12.473,51 69.385,52 0.462,53 2,54 1,55 1,56 4,57 3.649,58 0.304,59 15.877,60 3.285,61 3.285,62 5.285,63 3.285,64 2,65 2,66 34.238,67 3.311,68 36.64,69 2,70 5.5}
{0 CHEMBL1998829,2 1,3 3.167,4 2,5 3,6 9,8 11.771,9 4.555,10 4.555,11 7.555,12 4.555,13 1,14 4.137,16 7.7,17 99.756,18 13.864,19 18.073,20 0.074,21 0.022,22 1.739,23 1,24 2,25 16.835,26 0.041,27 1,28 0.671,29 6,30 7.429,31 5.365,32 10.945,33 10.945,34 10.945,35 19.82,36 18.369,37 5.86,38 0.984,39 1.052,40 4.727,41 6.843,43 1,44 6.718,45 6.718,46 11.333,47 3.574,48 5.574,49 3.574,50 9.121,51 33.393,52 0.216,53 2,54 5,55 1,56 3,57 3.503,58 0.239,59 15.444,60 3.171,61 3.171,62 5.171,63 3.171,64 1,65 1,66 33.553,67 3.998,68 35.93,69 4,70 5.5}
{0 CHEMBL1999112,8 34.44,9 4.197,10 4.197,11 6.976,12 4.197,14 4.05,15 32.22,16 6.8,17 115.897,18 13.42,19 20.935,20 0.068,21 0.031,23 1,25 16.184,26 0.058,27 2,28 1.914,29 5,30 7.434,31 6.019,32 12.935,33 12.935,34 12.935,35 18.961,36 17.602,38 1.101,39 0.986,40 5.687,41 7.703,43 2,44 7.266,45 7.266,46 19.083,47 4.724,48 6.671,49 4.724,50 18.873,51 83.062,52 0.646,54 2,55 1,56 3,57 3.902,58 0.291,59 14.874,60 3.466,61 3.466,62 5.466,63 3.466,66 35.901,67 2.513,68 38.447,69 1,70 5.5}
{0 CHEMBL1999126,4 2,5 3,6 9,8 2.144,9 4.686,10 4.686,11 7.686,12 4.686,14 4.171,16 10.4,17 203.157,18 14.442,19 20.48,20 0.081,21 0.03,22 1.276,23 2,24 1,25 17.449,26 -0.085,28 1.608,29 14,30 7.428,31 6.47,32 12.48,33 12.48,34 12.48,35 20.466,36 18.979,38 1.158,39 1.019,40 5.533,41 7.735,44 7.153,45 7.153,46 21.615,47 4.099,48 6.099,49 4.099,50 19.468,51 48.126,52 0.391,53 2,54 4,56 5,57 3.905,58 0.426,59 16.002,60 3.421,61 3.421,62 5.421,63 3.421,64 2,65 2,66 35.538,67 5.104,68 38.033,69 1,70 5.8}
{0 CHEMBL1999153,2 1,3 3.071,4 1,5 2,6 4,7 1,8 13.67,9 4.531,10 4.531,11 7.531,12 4.531,13 1,14 4.124,16 12.2,17 104.937,18 13.945,19 19.717,20 0.078,21 0.022,22 1.643,23 1,25 16.901,26 0.355,27 1,28 0.719,29 1,30 8.513,31 5.104,32 12.232,33 12.232,34 12.232,35 19.865,36 18.422,38 0.875,39 1.045,40 4.727,41 6.843,43 1,44 7.247,45 7.247,46 18.412,47 4.471,48 6.471,49 4.471,50 12.599,51 66.94,52 0.604,53 2,54 6,55 1,56 5,57 3.67,58 0.251,59 15.511,60 3.375,61 3.375,62 5.375,63 3.375,64 3,65 3,66 35.244,67 4.36,68 37.727,69 3,70 7.7}
{0 CHEMBL1999279,2 1,3 3.188,4 1,5 1,6 5,7 1,8 13.67,9 4.531,10 4.531,11 7.531,12 4.531,13 1,14 4.125,16 11.4,17 96.711,18 13.857,19 19.862,20 0.078,21 0.02,22 1.907,23 1,25 16.819,26 0.175,27 1,28 0.643,29 3,30 5.105,31 1.706,32 12.507,33 12.507,34 12.507,35 19.79,36 18.347,38 0.973,39 1.01,40 4.727,41 6.843,43 1,44 7.308,45 7.308,46 21.669,47 3.688,48 5.688,49 3.688,50 11.637,51 29.509,52 0.194,53 2,54 6,55 1,56 5,57 3.443,58 0.272,59 15.433,60 3.391,61 3.391,62 5.391,63 3.391,64 3,65 3,66 35.508,67 4.09,68 38.015,69 5,70 6.5}
{0 CHEMBL1999321,4 2,5 3,6 9,9 4.157,10 4.157,11 7.157,12 4.157,14 4.005,16 6.3,18 13.237,19 19.62,20 0.06,21 0.019,24 3,25 16.015,26 0.037,28 0.66,29 8,30 7.501,31 4.884,32 11.62,33 11.62,34 11.62,35 18.797,36 17.499,38 1.016,39 1.009,44 6.95,45 6.95,46 30.939,47 3.966,48 5.966,49 3.966,50 22.114,51 45.053,52 0.391,54 2,55 2,56 3,57 3.66,58 0.221,59 14.795,60 3.296,61 3.296,62 5.296,63 3.296,64 1,65 1,66 34.349,67 3.317,68 36.791,69 3,70 5.5}
{0 CHEMBL1999414,4 2,5 4,6 8,7 1,8 19.121,9 4.717,10 4.717,11 7.717,12 4.717,14 4.123,15 31.278,16 8.3,17 179.711,18 14.178,19 19.465,20 0.071,21 0.026,22 1.581,23 1,24 2,25 17.205,26 0.045,27 1,28 1.313,29 4,30 7.432,31 5.951,32 11.945,33 11.945,34 11.945,35 20.256,36 18.758,38 0.861,39 0.989,40 4.727,41 6.88,43 1,44 7.007,45 7.007,46 41.463,47 3.605,48 5.605,49 3.605,50 31.347,51 62.207,52 0.447,53 2,54 12,56 6,57 4.105,58 0.401,59 15.76,60 3.308,61 3.308,62 5.308,63 3.308,64 1,65 1,66 34.764,67 4.301,68 37.232,69 7,70 7}
{0 CHEMBL1999428,4 2,5 3,6 9,9 3.926,10 3.926,11 6.926,12 3.926,14 4.013,16 4.9,18 12.731,19 15.582,20 0.081,21 0.031,25 15.433,26 -0.008,28 0.778,29 9,30 7.429,31 5.355,32 9.144,33 9.144,34 9.144,35 18.126,36 16.938,38 0.945,39 0.987,44 6.181,45 6.181,46 12.096,47 3.585,48 5.585,49 3.585,50 8.707,51 34.64,52 0.158,54 4,56 2,57 3.231,58 0.135,59 14.337,60 2.935,61 2.935,62 4.935,63 2.935,64 1,65 1,66 31.591,67 3.017,68 33.769,69 3,70 5.5}
{0 CHEMBL1999496,4 2,5 4,6 8,9 4.229,10 4.229,11 7.229,12 4.229,14 4.12,16 4.2,18 13.291,19 25.174,20 0.078,21 0.022,24 1,25 16.1,26 -0.028,28 0.952,29 24,30 7.428,31 5.975,32 16.803,33 16.803,34 16.803,35 18.922,36 17.588,38 1.121,39 0.99,40 6.252,41 8.339,42 1,44 8.356,45 8.356,46 33.345,47 4.218,48 6.218,49 4.218,50 21.736,51 35.127,52 0.202,54 2,56 2,57 3.757,58 0.157,59 14.84,60 3.861,61 3.861,62 5.861,63 3.861,64 1,65 1,66 39.502,67 2.253,68 42.323,69 3,70 5.5}
{0 CHEMBL1999590,4 1,5 1,6 5,8 24.633,9 4.255,10 4.255,11 7.255,12 4.255,14 4.062,16 14.3,18 13.369,19 18.159,20 0.051,21 0.02,25 16.194,26 -0.245,27 1,28 0.716,29 6,30 5.138,31 1.696,32 10.987,33 10.987,34 10.987,35 19.027,36 17.676,38 1.155,39 1.015,40 5.283,41 7.273,43 1,44 6.723,45 6.723,46 13.388,47 3.254,48 5.254,49 3.254,50 13.843,51 20.632,52 0.302,54 1,56 6,57 3.587,58 0.15,59 14.915,60 3.172,61 3.172,62 5.172,63 3.172,64 3,65 3,66 33.573,67 4.452,68 35.96,69 1,70 5.5}
{0 CHEMBL1999714,4 2,5 5,6 7,9 4.046,10 4.046,11 7.046,12 4.046,14 4.031,16 6.9,18 12.955,19 16.988,20 0.074,21 0.02,24 3,25 15.728,26 -0.026,28 0.368,29 7,30 7.429,31 5.028,32 10.226,33 10.226,34 10.226,35 18.496,36 17.192,38 1.094,39 1.041,40 2.708,41 5.38,44 6.514,45 6.514,46 29.596,47 3.621,48 5.621,49 3.621,50 17.388,51 28.118,52 0.19,54 6,56 2,57 2.083,58 0.031,59 14.484,60 3.099,61 3.099,62 5.099,63 3.099,66 32.685,67 2.582,68 34.986,69 5,70 5.5}
{0 CHEMBL1999718,4 1,5 3,6 3,8 6.604,9 4.476,10 4.476,11 7.476,12 4.476,14 4.086,16 13.9,18 13.738,19 18.84,20 0.078,21 0.032,22 0.47,24 1,25 16.667,26 0.069,28 0.993,29 1,30 8.513,31 5.079,32 11.72,33 11.72,34 11.72,35 19.611,36 18.182,38 0.989,39 1,44 7.121,45 7.121,46 24.828,47 4.461,48 6.461,49 4.461,50 19.502,51 136.874,52 0.889,53 2,54 6,56 5,57 3.563,58 0.238,59 15.296,60 3.335,61 3.335,62 5.335,63 3.335,64 2,65 2,66 34.596,67 3.499,68 37.038,69 3,70 5.5}
{0 CHEMBL1999811,4 2,5 6,6 6,8 4.276,9 4.459,10 4.459,11 7.459,12 4.459,14 4.043,15 30.826,16 14.7,17 99.4,18 13.701,19 17.08,20 0.078,21 0.022,22 1.304,23 1,24 3,25 16.646,26 0.049,28 0.462,30 7.431,31 4.824,32 10.251,33 10.251,34 10.251,35 19.595,36 18.158,38 0.818,39 0.948,40 4.595,41 6.605,44 6.519,45 6.519,46 15.16,47 3.549,48 5.549,49 3.549,50 13.263,51 63.523,52 0.573,53 2,54 5,55 1,56 5,57 3.277,58 0.191,59 15.258,60 3.056,61 3.056,62 5.056,63 3.056,64 2,65 2,66 32.686,67 3.569,68 34.992,69 5,70 6.6}
{0 CHEMBL1999931,3 2.908,4 3,5 5,6 13,8 11.771,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.131,16 12.5,17 124.296,18 13.931,19 17.285,20 0.061,21 0.022,22 1.577,23 1,25 16.866,26 0.299,27 1,28 0.893,29 4,30 7.429,31 5.503,32 10.481,33 10.481,34 10.481,35 19.814,36 18.385,38 0.891,39 1.053,40 5.352,41 7.402,43 1,44 6.577,45 6.577,46 24.25,47 3.579,48 5.579,49 3.579,50 15.901,51 42.597,52 0.324,53 2,54 7,55 4,56 6,57 3.793,58 0.191,59 15.499,60 3.136,61 3.136,62 5.136,63 3.136,64 3,65 3,66 33.09,67 4.872,68 35.406,69 3,70 8.1}
{0 CHEMBL2000071,2 1,3 3.177,4 1,5 1,6 5,8 14.099,9 4.631,10 4.631,11 7.631,12 4.631,13 1,14 4.129,16 11.1,17 73.196,18 13.841,19 18.811,20 0.061,21 0.017,22 1.794,23 1,25 16.894,26 -0.089,27 1,28 0.434,29 2,30 6.456,31 2.871,32 11.616,33 11.616,34 11.616,35 19.948,36 18.449,38 1.064,39 0.984,40 4.727,41 6.862,43 1,44 6.908,45 6.908,46 14.205,47 3.264,48 5.264,49 3.264,50 8.984,51 26.906,52 0.277,53 2,54 3,56 4,57 3.115,58 0.084,59 15.437,60 3.24,61 3.24,62 5.24,63 3.24,64 2,65 2,66 34.342,67 3.17,68 36.789,69 5,70 5.5}
{0 CHEMBL2000114,2 1,3 3.109,8 14.099,9 4.587,10 4.587,11 7.587,12 4.587,13 1,14 4.089,15 32.22,16 13.3,17 58.363,18 13.694,19 18.003,20 0.071,21 0.023,22 1.86,23 1,24 1,25 16.75,26 -0.227,27 1,28 0.316,30 6.456,31 2.735,32 11.205,33 11.205,34 11.205,35 19.8,36 18.295,38 1.1,39 0.936,40 4.727,41 6.843,43 1,44 6.799,45 6.799,46 16.481,47 4.364,48 6.364,49 4.364,50 11.313,51 24.389,52 0.317,53 2,54 1,56 4,57 2.693,58 0.076,59 15.274,60 3.178,61 3.178,62 5.178,63 3.178,64 2,65 2,66 33.832,67 2.108,68 36.245,69 4,70 5.5}
{0 CHEMBL2000335,4 2,5 5,6 7,8 18.375,9 4.626,10 4.626,11 7.626,12 4.626,14 4.094,15 31.278,16 10.6,17 125.105,18 14.05,19 18.662,20 0.076,21 0.024,22 1.721,23 1,24 2,25 17.041,26 -0.015,27 1,28 0.778,29 2,30 7.431,31 5.258,32 11.489,33 11.489,34 11.489,35 20.048,36 18.577,38 0.891,39 1.033,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 24.827,47 3.563,48 5.563,49 3.563,50 18.168,51 31.128,52 0.165,53 2,54 9,56 5,57 3.515,58 0.242,59 15.623,60 3.229,61 3.229,62 5.229,63 3.229,64 2,65 2,66 34.203,67 4.129,68 36.635,69 5,70 6.9}
{0 CHEMBL2000345,3 3.156,4 2,5 7,6 5,8 2.144,9 4.463,10 4.463,11 7.463,12 4.463,13 1,14 4.121,15 45.954,16 7.9,17 100.417,18 13.886,19 16.731,20 0.084,21 0.027,22 1.688,23 1,24 3,25 16.814,26 0.118,28 0.809,29 4,30 6.82,31 3.786,32 9.981,33 9.981,34 9.981,35 19.748,36 18.316,38 0.967,39 0.974,40 4.727,41 6.843,44 6.402,45 6.402,46 10.169,47 4.069,48 6.069,49 4.069,50 12.47,51 43.181,52 0.359,53 2,54 4,55 1,56 3,57 3.822,58 0.196,59 15.429,60 3.093,61 3.093,62 5.093,63 3.093,64 1,65 1,66 32.63,67 3.692,68 34.893,69 3,70 7}
{0 CHEMBL2000354,4 2,5 4,6 8,8 0.693,9 3.938,10 3.938,11 6.938,12 3.938,14 3.971,15 32.22,16 5.4,18 12.866,19 15.592,20 0.059,21 0.026,24 3,25 15.561,26 -0.101,28 0.674,29 3,30 7.429,31 5.019,32 9.264,33 9.264,34 9.264,35 18.251,36 17.016,38 0.901,39 0.964,40 4.727,41 6.783,44 6.187,45 6.187,46 15.157,47 4.69,48 6.69,49 4.69,50 14.539,51 34.61,52 0.306,54 5,55 1,56 2,57 3.424,58 0.167,59 14.399,60 2.988,61 2.988,62 4.988,63 2.988,66 31.542,67 3.238,68 33.731,69 2,70 6.8}
{0 CHEMBL2000393,4 2,5 6,6 6,8 40.567,9 4.559,10 4.559,11 7.559,12 4.559,14 4.138,16 13.3,17 212.383,18 14.168,19 19.764,20 0.078,21 0.021,22 1.09,23 2,24 4,25 17.116,26 -0.046,28 1.094,29 1,30 8.203,31 6.245,32 12.093,33 12.093,34 12.093,35 20.074,36 18.627,38 0.914,39 1.075,40 5.476,41 7.636,42 2,44 7.039,45 7.039,46 37.083,47 3.858,48 5.858,49 3.858,50 27.218,51 76.97,52 0.925,53 2,54 2,55 1,56 6,57 4.03,58 0.333,59 15.715,60 3.342,61 3.342,62 5.342,63 3.342,64 3,65 3,66 35.201,67 4.346,68 37.66,70 5.5}
{0 CHEMBL2000408,4 1,5 3,6 3,8 46.347,9 4.745,10 4.745,11 7.745,12 4.745,14 4.167,16 10.7,17 127.93,18 14.298,19 19.912,20 0.077,21 0.029,22 0.555,23 1,24 2,25 17.327,26 -0.131,27 1,28 1.608,29 2,30 8.211,31 6.737,32 12.31,33 12.31,34 12.31,35 20.379,36 18.877,38 0.865,39 0.959,40 4.844,41 7.081,43 1,44 7.089,45 7.089,46 20.604,47 3.42,48 5.42,49 3.42,50 17.09,51 144.392,52 1.149,53 1,54 1,56 6,57 4.225,58 0.565,59 15.874,60 3.374,61 3.374,62 5.374,63 3.374,64 4,65 4,66 35.325,67 4.281,68 37.808,69 2,70 5.5}
{0 CHEMBL2000429,4 1,5 3,6 3,8 51.162,9 4.731,10 4.731,11 7.731,12 4.731,14 4.159,16 10,17 138.324,18 14.265,19 19.94,20 0.074,21 0.026,22 0.375,23 1,24 2,25 17.291,26 -0.151,27 1,28 1.591,29 1,30 8.211,31 6.836,32 12.316,33 12.316,34 12.316,35 20.339,36 18.84,38 0.945,39 0.946,40 4.844,41 7.081,43 1,44 7.09,45 7.09,46 24.331,47 3.43,48 5.43,49 3.43,50 18.709,51 149.211,52 1.187,53 1,54 1,56 6,57 4.314,58 0.656,59 15.841,60 3.37,61 3.37,62 5.37,63 3.37,64 4,65 4,66 35.336,67 4.221,68 37.819,69 2,70 5.5}
{0 CHEMBL2000481,4 3,5 6,6 12,7 1,9 4.703,10 4.703,11 7.703,12 4.703,14 4.094,16 9.3,18 14.348,19 19.798,20 0.092,21 0.025,24 2,25 17.351,26 -0.065,28 1.222,29 15,30 7.717,31 5.676,32 12.431,33 12.431,34 12.431,35 20.372,36 18.882,38 1.113,39 1.018,44 7.297,45 7.297,46 16.035,47 4.684,48 6.684,49 4.684,50 17.323,51 102.383,52 0.669,54 8,56 5,57 3.827,58 0.377,59 15.9,60 3.382,61 3.382,62 5.382,63 3.382,66 35.491,67 3.855,68 37.988,69 4,70 5.5}
{0 CHEMBL2000508,4 1,5 2,6 4,8 41.259,9 4.677,10 4.677,11 7.677,12 4.677,14 4.156,15 31.278,16 9.7,18 14.023,19 19.4,20 0.065,21 0.019,22 0.918,24 1,25 17.064,26 -0.205,27 2,28 0.598,29 10,30 8.201,31 5.139,32 12.047,33 12.047,34 12.047,35 20.116,36 18.619,38 1.317,39 1.078,40 5.416,41 7.535,43 2,44 7.018,45 7.018,46 0.662,47 3.322,48 5.322,49 3.322,50 1.628,51 23.219,52 0.196,53 1,56 3,57 3.322,58 0.119,59 15.615,60 3.321,61 3.321,62 5.321,63 3.321,64 2,65 2,66 34.854,67 3.911,68 37.337,70 5.5}
{0 CHEMBL2000568,2 1,3 3.063,4 1,5 2,6 4,8 11.771,9 4.391,10 4.391,11 7.391,12 4.391,13 1,14 4.117,16 6.7,17 64.397,18 13.577,19 16.131,20 0.079,21 0.032,22 1.946,23 1,25 16.493,26 -0.06,27 1,28 0.573,29 7,30 7.428,31 4.379,32 9.648,33 9.648,34 9.648,35 19.41,36 17.996,38 1.086,39 1.034,40 4.595,41 6.581,43 1,44 6.312,45 6.312,46 1.842,47 3.547,48 5.547,49 3.547,50 2.428,51 22.639,52 0.107,53 2,54 1,56 2,57 2.806,58 0.118,59 15.13,60 3.025,61 3.025,62 5.025,63 3.025,64 1,65 1,66 32.023,67 3.27,68 34.256,69 2,70 5.5}
{0 CHEMBL2000801,4 3,5 8,6 10,8 19.982,9 4.51,10 4.51,11 7.51,12 4.51,14 4.098,15 31.052,16 7,17 139.249,18 13.979,19 19.593,20 0.079,21 0.026,22 2.087,23 1,24 3,25 16.913,26 0.201,28 0.972,29 4,30 8.513,31 5.353,32 12.181,33 12.181,34 12.181,35 19.858,36 18.424,38 1.048,39 1.039,40 4.595,41 6.605,44 7.24,45 7.24,46 24.048,47 4.474,48 6.474,49 4.474,50 16.455,51 208.862,52 1.299,53 2,54 5,56 3,57 3.768,58 0.343,59 15.532,60 3.377,61 3.377,62 5.377,63 3.377,64 1,65 1,66 35.182,67 4.155,68 37.66,69 4,70 5.5}
{0 CHEMBL2000832,4 4,5 11,6 13,7 1,8 14.96,9 4.157,10 4.157,11 7.157,12 4.157,14 4.075,16 5.2,18 13.718,19 17.218,20 0.082,21 0.026,24 6,25 16.49,26 -0.019,28 1.312,29 14,30 8.201,31 5.945,32 10.356,33 10.356,34 10.356,35 19.264,36 17.952,38 0.93,39 1.01,40 2.708,41 5.38,44 6.546,45 6.546,46 42.298,47 3.629,48 5.629,49 3.629,50 29.411,51 81.335,52 0.661,54 9,55 2,56 3,57 4.134,58 0.419,59 15.239,60 3.143,61 3.143,62 5.143,63 3.143,66 33.135,67 4.316,68 35.423,69 8,70 5.5}
{0 CHEMBL2000894,4 2,5 6,6 6,8 11.771,9 4.232,10 4.232,11 7.232,12 4.232,14 4.08,16 8.5,18 13.571,19 19.457,20 0.087,21 0.031,24 3,25 16.379,26 -0.177,28 1.5,29 16,30 7.444,31 5.919,32 11.74,33 11.74,34 11.74,35 19.191,36 17.848,38 0.947,39 0.998,43 1,44 6.951,45 6.951,46 26.716,47 3.779,48 5.779,49 3.779,50 19.707,51 77.136,52 0.587,54 2,56 4,57 4.049,58 0.451,59 15.096,60 3.313,61 3.313,62 5.313,63 3.313,64 1,65 1,66 34.596,67 3.469,68 37.033,69 3,70 5.5}
{0 CHEMBL2001224,4 1,5 4,6 2,8 6.604,9 4.055,10 4.055,11 7.055,12 4.055,14 3.983,16 11.4,18 12.984,19 16.351,20 0.064,21 0.022,24 3,25 15.725,26 -0.164,28 0.75,29 6,30 7.431,31 5.268,32 9.625,33 9.625,34 9.625,35 18.475,36 17.182,37 6.199,38 1.083,39 0.962,40 4.443,41 6.26,42 5,44 6.303,45 6.303,46 30.145,47 4.057,48 6.057,49 4.057,50 22.43,51 60.964,52 0.578,54 3,56 5,57 3.838,58 0.286,59 14.5,60 3.024,61 3.024,62 5.024,63 3.024,64 2,65 2,66 31.788,67 2.442,68 34.02,69 1,70 5.5}
{0 CHEMBL2001239,4 2,5 6,6 6,8 3.798,9 4.209,10 4.209,11 7.209,12 4.209,14 4.035,16 13.6,18 13.412,19 18.543,20 0.082,21 0.028,24 3,25 16.188,26 -0.074,28 1.16,29 5,30 8.516,31 4.607,32 11.339,33 11.339,34 11.339,35 18.979,36 17.657,37 5.888,38 1.072,39 0.969,44 7.053,45 7.053,46 34.589,47 4.575,48 6.575,49 4.575,50 23.318,51 143.256,52 1.041,54 4,55 5,56 6,57 4.25,58 0.575,59 14.933,60 3.287,61 3.287,62 5.287,63 3.287,64 3,65 3,66 34.333,67 2.996,68 36.738,69 5,70 5.5}
{0 CHEMBL2001257,4 2,5 4,6 8,8 53.182,9 4.712,10 4.712,11 7.712,12 4.712,14 4.119,15 31.278,16 7.8,17 161.439,18 14.154,19 19.202,20 0.068,21 0.025,22 1.96,23 1,24 2,25 17.185,26 -0.119,27 1,28 1.115,29 8,30 7.431,31 5.369,32 11.822,33 11.822,34 11.822,35 20.237,36 18.743,38 0.888,39 1.002,40 4.727,41 6.88,43 1,44 6.972,45 6.972,46 33.376,47 3.563,48 5.563,49 3.563,50 27.434,51 41.143,52 0.196,53 2,54 10,56 5,57 4.033,58 0.428,59 15.748,60 3.286,61 3.286,62 5.286,63 3.286,64 1,65 1,66 34.601,67 4.886,68 37.062,69 5,70 5.4}
{0 CHEMBL2001288,8 15.33,9 4.69,10 4.69,11 7.69,12 4.69,14 4.104,15 56.782,16 15.6,17 71.135,18 13.942,19 19.721,20 0.094,21 0.028,22 0.961,23 1,25 17.019,26 -0.227,28 0.674,30 6.498,31 4.026,32 11.971,33 11.971,34 11.971,35 20.101,36 18.575,38 1.134,39 0.88,40 5.533,41 7.719,42 3,43 1,44 7.018,45 7.018,46 18.574,47 3.606,48 5.606,49 3.606,50 14.107,51 100.55,52 0.943,53 2,54 1,55 2,56 5,57 3.858,58 0.078,59 15.52,60 3.347,61 3.347,62 5.347,63 3.347,64 3,65 3,66 34.899,67 2.082,68 37.36,69 1,70 5.5}
{0 CHEMBL2001477,4 2,5 4,6 8,9 4.081,10 4.081,11 7.081,12 4.081,14 4.024,16 7.5,18 12.971,19 16.605,20 0.067,21 0.027,24 1,25 15.74,26 -0.059,28 0.722,29 8,30 7.437,31 4.653,32 9.967,33 9.967,34 9.967,35 18.507,36 17.238,38 0.87,39 1.01,44 6.451,45 6.451,46 19.145,47 3.54,48 5.54,49 3.54,50 12.536,51 31.744,52 0.189,54 6,55 1,56 3,57 3.544,58 0.193,59 14.556,60 3.044,61 3.044,62 5.044,63 3.044,64 1,65 1,66 32.366,67 3.101,68 34.64,69 4,70 5.5}
{0 CHEMBL2001485,4 2,5 4,6 8,8 30.892,9 4.726,10 4.726,11 7.726,12 4.726,14 4.144,15 31.278,16 10.3,17 176.669,18 14.307,19 19.554,20 0.082,21 0.026,22 1.851,23 1,24 2,25 17.309,26 -0.081,27 2,28 1.47,29 6,30 7.432,31 5.413,32 11.981,33 11.981,34 11.981,35 20.341,36 18.851,38 0.886,39 1.008,40 5.352,41 7.445,43 2,44 7.014,45 7.014,46 34.714,47 3.829,48 5.829,49 3.829,50 26.913,51 84.91,52 0.503,53 2,54 9,55 2,56 7,57 4.188,58 0.521,59 15.875,60 3.318,61 3.318,62 5.318,63 3.318,64 2,65 2,66 34.88,67 5.226,68 37.339,69 5,70 5.5}
{0 CHEMBL2001547,4 1,5 3,6 3,8 46.347,9 4.73,10 4.73,11 7.73,12 4.73,14 4.164,16 11.3,17 122.389,18 14.259,19 19.925,20 0.071,21 0.028,22 0.573,23 1,24 2,25 17.287,26 -0.17,27 1,28 1.535,29 2,30 8.211,31 6.696,32 12.312,33 12.312,34 12.312,35 20.336,36 18.837,38 0.984,39 0.958,40 4.844,41 7.081,43 1,44 7.089,45 7.089,46 17.95,47 3.416,48 5.416,49 3.416,50 16.265,51 112.794,52 0.898,53 1,54 1,56 6,57 4.187,58 0.512,59 15.836,60 3.368,61 3.368,62 5.368,63 3.368,64 4,65 4,66 35.241,67 4.274,68 37.73,69 2,70 5.5}
{0 CHEMBL2001646,2 1,4 5,5 9,6 19,8 4.901,9 4.831,10 4.831,11 7.831,12 4.831,14 4.193,16 2.9,17 161.922,18 14.668,19 20.693,20 0.063,21 0.024,22 3.972,23 1,24 3,25 17.735,26 0.051,28 1.716,29 18,30 7.475,31 5.826,32 12.916,33 12.916,34 12.916,35 20.815,36 19.301,38 1.038,39 1.025,40 4.949,41 7.248,44 7.249,45 7.249,46 34.892,47 3.703,48 5.703,49 3.703,50 24.325,51 38.86,52 0.405,53 4,54 5,55 2,56 2,57 4.434,58 0.481,59 16.266,60 3.447,61 3.447,62 5.447,63 3.447,66 35.897,67 5.33,68 38.437,69 3,70 5.9}
{0 CHEMBL2001751,2 1,3 3.287,4 2,5 5,6 7,8 31.135,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.135,16 6.7,17 315.647,18 14.105,19 17.977,20 0.065,21 0.023,22 2.285,23 2,24 2,25 17.023,26 0.021,27 2,28 1.205,29 7,30 7.429,31 5.527,32 11.038,33 11.038,34 11.038,35 19.947,36 18.526,38 1.038,39 1.053,40 5.778,41 7.847,43 2,44 6.746,45 6.746,46 18.632,47 3.656,48 5.656,49 3.656,50 16.112,51 42.109,52 0.3,53 2,54 3,55 1,56 4,57 3.998,58 0.286,59 15.654,60 3.214,61 3.214,62 5.214,63 3.214,64 1,65 1,66 33.997,67 5.509,68 36.367,69 7,70 7.4}
{0 CHEMBL2001920,4 1,5 3,6 3,9 4.259,10 4.259,11 7.259,12 4.259,14 4.027,15 123.366,16 8.7,17 61.723,18 13.228,19 19.3,20 0.074,21 0.033,23 1,24 2,25 16.078,26 -0.121,28 0.796,29 1,30 7.435,31 4.961,32 11.875,33 11.875,34 11.875,35 18.938,36 17.543,38 1.198,39 1.037,40 5.476,41 7.609,44 6.984,45 6.984,46 15.473,47 4.876,48 6.876,49 4.876,50 14.277,51 34.487,52 0.244,54 2,56 2,57 3.537,58 0.02,59 14.726,60 3.308,61 3.308,62 5.308,63 3.308,66 34.662,67 2.051,68 37.129,69 4,70 5.8}
{0 CHEMBL2001957,4 1,5 2,6 4,8 36.202,9 4.724,10 4.724,11 7.724,12 4.724,14 4.157,16 10.5,17 146.081,18 14.209,19 19.76,20 0.075,21 0.026,22 0.042,23 1,24 1,25 17.232,26 -0.204,27 1,28 1.594,29 2,30 8.513,31 5.561,32 12.229,33 12.229,34 12.229,35 20.281,36 18.783,38 0.959,39 0.952,40 4.844,41 7.081,43 1,44 7.065,45 7.065,46 21.72,47 4.271,48 6.271,49 4.271,50 17.082,51 143.505,52 1.295,53 1,54 1,56 6,57 4.349,58 0.685,59 15.787,60 3.355,61 3.355,62 5.355,63 3.355,64 4,65 4,66 35.28,67 4.101,68 37.751,69 2,70 5.5}
{0 CHEMBL2002165,4 2,5 4,6 8,8 45.852,9 4.726,10 4.726,11 7.726,12 4.726,14 4.142,15 31.278,16 10.2,17 159.015,18 14.275,19 19.548,20 0.062,21 0.028,22 1.844,23 1,24 3,25 17.288,26 0.032,27 2,28 1.439,29 6,30 8.201,31 5.333,32 11.98,33 11.98,34 11.98,35 20.327,36 18.835,38 1.062,39 1.006,40 5.352,41 7.434,43 2,44 7.013,45 7.013,46 26.24,47 3.563,48 5.563,49 3.563,50 21.644,51 52.415,52 0.503,53 2,54 9,55 2,56 6,57 4.042,58 0.395,59 15.851,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.823,67 5.101,68 37.291,69 6,70 5.5}
{0 CHEMBL2002346,2 1,3 3.172,4 1,5 1,6 5,7 1,8 14.099,9 4.531,10 4.531,11 7.531,12 4.531,13 1,14 4.124,16 13.2,17 86.441,18 13.75,19 18.062,20 0.057,21 0.014,22 1.917,23 1,25 16.732,26 0.084,27 1,28 0.365,29 3,30 5.106,31 1.388,32 10.905,33 10.905,34 10.905,35 19.721,36 18.273,38 0.877,39 1.056,40 4.727,41 6.843,43 1,44 6.71,45 6.71,46 15.848,47 3.161,48 5.161,49 3.161,50 9.712,51 21.327,52 0.182,53 2,54 5,55 1,56 5,57 3.28,58 0.111,59 15.346,60 3.157,61 3.157,62 5.157,63 3.157,64 3,65 3,66 33.469,67 4.159,68 35.848,69 4,70 7}
{0 CHEMBL2002373,4 1,5 1,6 5,8 2.757,9 4.31,10 4.31,11 7.31,12 4.31,14 4.071,16 7.9,18 13.254,19 18.81,20 0.059,21 0.016,25 16.152,26 -0.145,28 0.511,29 9,30 6.456,31 3.069,32 11.61,33 11.61,34 11.61,35 19.051,36 17.66,38 1.2,39 0.968,40 4.727,41 6.843,44 6.906,45 6.906,46 4.205,47 3.255,48 5.255,49 3.255,50 5.822,51 23.558,52 0.216,56 3,57 3.261,58 0.098,59 14.826,60 3.232,61 3.232,62 5.232,63 3.232,64 2,65 2,66 34.334,67 3,68 36.781,69 1,70 5.5}
{0 CHEMBL2002446,3 3.315,4 1,5 3,6 3,8 49.947,9 4.394,10 4.394,11 7.394,12 4.394,13 1,14 4.137,15 31.278,16 6.3,17 117.909,18 13.707,19 19.287,20 0.062,21 0.022,23 1,25 16.593,26 0.01,27 1,28 0.921,29 9,30 5.042,31 2.125,32 11.725,33 11.725,34 11.725,35 19.491,36 18.078,38 0.971,39 1.034,40 6.33,41 8.295,42 3,43 1,44 6.933,45 6.933,46 34.315,47 3.451,48 5.451,49 3.451,50 26.301,51 33.508,52 0.321,54 3,55 1,56 4,57 3.932,58 0.274,59 15.232,60 3.318,61 3.318,62 5.318,63 3.318,64 1,65 1,66 34.526,67 3.976,68 36.972,69 2,70 5.5}
{0 CHEMBL2002456,3 2.954,4 1,5 4,6 2,8 4.472,9 4.623,10 4.623,11 7.623,12 4.623,13 1,14 4.129,16 10.3,17 78.192,18 13.907,19 18.377,20 0.065,21 0.039,22 1.684,23 1,24 1,25 16.928,26 0.093,28 1.142,29 5,30 5.254,31 2.561,32 11.301,33 11.301,34 11.301,35 19.961,36 18.471,38 1.056,39 0.981,40 4.727,41 6.823,44 6.823,45 6.823,46 15.833,47 3.531,48 5.531,49 3.531,50 10.711,51 32.542,52 0.302,53 2,54 4,55 1,56 4,57 3.273,58 0.128,59 15.483,60 3.269,61 3.269,62 5.269,63 3.269,64 2,65 2,66 34.145,67 3.055,68 36.542,69 3,70 6.4}
{0 CHEMBL2002479,4 3,5 9,6 9,8 4.836,9 4.434,10 4.434,11 7.434,12 4.434,14 4.104,16 7.5,17 275.422,18 14.04,19 18.644,20 0.061,21 0.027,22 1.35,23 2,24 3,25 16.966,26 -0.128,28 1.22,29 6,30 7.429,31 5.261,32 11.269,33 11.269,34 11.269,35 19.897,36 18.47,37 6.011,38 1.055,39 1.038,40 5.416,41 7.516,44 6.813,45 6.813,46 36.034,47 3.659,48 5.659,49 3.659,50 25.806,51 52.363,52 0.516,53 2,54 5,56 4,57 3.868,58 0.328,59 15.588,60 3.23,61 3.23,62 5.23,63 3.23,64 1,65 1,66 34.035,67 4.425,68 36.432,69 5,70 5.5}
{0 CHEMBL2002613,3 2.902,4 3,5 7,6 11,8 11.771,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.133,16 10.7,17 145.339,18 14.036,19 17.304,20 0.059,21 0.024,22 1.484,23 1,24 2,25 16.957,26 0.313,27 1,28 1.184,29 4,30 7.429,31 5.928,32 10.483,33 10.483,34 10.483,35 19.893,36 18.466,38 1.025,39 1.015,40 5.352,41 7.402,43 1,44 6.578,45 6.578,46 34.715,47 3.589,48 5.589,49 3.589,50 24.528,51 46.753,52 0.514,53 2,54 5,55 6,56 6,57 3.985,58 0.303,59 15.589,60 3.138,61 3.138,62 5.138,63 3.138,64 3,65 3,66 33.149,67 4.995,68 35.46,69 3,70 7}
{0 CHEMBL2002649,3 2.853,4 1,5 3,6 3,7 1,8 11.771,9 4.16,10 4.16,11 7.16,12 4.16,13 1,14 4.041,16 10.3,17 64.754,18 13.053,19 17.928,20 0.063,21 0.027,23 1,24 2,25 15.855,26 -0.087,27 1,28 0.591,29 1,30 7.429,31 4.899,32 11.008,33 11.008,34 11.008,35 18.664,36 17.31,38 1.054,39 1.019,40 5.352,41 7.402,43 1,44 6.738,45 6.738,46 15.343,47 3.657,48 5.657,49 3.657,50 11.833,51 18.287,52 0.185,54 1,56 3,57 2.725,58 0.041,59 14.557,60 3.201,61 3.201,62 5.201,63 3.201,64 1,65 1,66 33.589,67 2.605,68 35.982,69 3,70 6}
{0 CHEMBL2002682,2 1,3 3.459,4 4,5 9,6 13,8 4.901,9 4.713,10 4.713,11 7.713,12 4.713,13 1,14 4.181,16 3.7,17 192.052,18 14.554,19 19.769,20 0.071,21 0.018,22 4.123,23 1,24 2,25 17.585,26 -0.019,28 1.122,29 22,30 7.429,31 6.498,32 12.043,33 12.043,34 12.043,35 20.621,36 19.129,37 6.675,38 1.009,39 0.993,40 4.844,41 7.066,44 7.026,45 7.026,46 22.891,47 3.632,48 5.632,49 3.632,50 24.271,51 51.199,52 0.362,53 4,54 5,55 1,56 3,57 4.334,58 0.472,59 16.132,60 3.343,61 3.343,62 5.343,63 3.343,66 35.097,67 5.228,68 37.551,69 3,70 5.5}
{0 CHEMBL2002702,2 1,3 3.266,4 1,5 2,6 4,8 5.513,9 4.159,10 4.159,11 7.159,12 4.159,13 1,14 4.064,16 6.3,17 64.336,18 13.267,19 17.896,20 0.077,21 0.029,23 1,24 1,25 16.089,26 -0.066,28 0.584,29 5,30 7.429,31 4.96,32 10.971,33 10.971,34 10.971,35 18.906,36 17.541,38 0.809,39 1.032,40 5.476,41 7.591,44 6.731,45 6.731,46 15.104,47 3.655,48 5.655,49 3.655,50 12.37,51 20.775,52 0.127,54 2,56 2,57 2.823,58 0.057,59 14.767,60 3.194,61 3.194,62 5.194,63 3.194,66 33.593,67 2.731,68 35.974,69 7,70 5.5}
{0 CHEMBL2002726,3 3.015,4 2,5 4,6 8,8 2.757,9 4.51,10 4.51,11 7.51,12 4.51,13 1,14 4.123,16 8.2,17 112.937,18 13.787,19 16.757,20 0.065,21 0.021,22 2.076,23 1,24 1,25 16.744,26 0.086,28 0.663,29 3,30 5.096,31 2.392,32 10.231,33 10.231,34 10.231,35 19.71,36 18.273,38 1.044,39 1.013,40 4.727,41 6.804,44 6.522,45 6.522,46 9.41,47 3.148,48 5.148,49 3.148,50 11.017,51 34.748,52 0.244,53 2,54 4,55 1,56 4,57 3.557,58 0.152,59 15.367,60 3.103,61 3.103,62 5.103,63 3.103,64 2,65 2,66 32.721,67 4.037,68 35.021,69 3,70 6.6}
{0 CHEMBL2002992,2 1,3 3.055,8 11.771,9 4.459,10 4.459,11 7.459,12 4.459,13 1,14 4.104,16 9.3,17 85.554,18 13.476,19 17.146,20 0.09,21 0.032,22 1.753,23 1,24 1,25 16.456,26 -0.13,27 1,28 0.649,29 6,30 7.428,31 5.437,32 10.271,33 10.271,34 10.271,35 19.44,36 17.975,38 0.806,39 0.973,40 4.595,41 6.605,42 4,43 1,44 6.525,45 6.525,46 15.179,47 3.718,48 5.718,49 3.718,50 12.427,51 47.104,52 0.359,53 2,54 5,55 1,56 4,57 3.251,58 0.14,59 15.029,60 3.068,61 3.068,62 5.068,63 3.068,64 1,65 1,66 32.734,67 2.042,68 35.037,69 7,70 5.5}
{0 CHEMBL2003229,3 2.976,4 1,5 4,6 2,8 4.472,9 4.632,10 4.632,11 7.632,12 4.632,13 1,14 4.133,16 14.7,17 67.44,18 13.903,19 18.566,20 0.074,21 0.035,22 1.901,23 1,24 1,25 16.938,26 0.026,28 0.875,29 2,30 5.246,31 1.925,32 11.444,33 11.444,34 11.444,35 19.98,36 18.486,38 1.166,39 1.026,40 4.727,41 6.823,44 6.876,45 6.876,46 14.786,47 3.325,48 5.325,49 3.325,50 9.679,51 18.894,52 0.164,53 2,54 4,55 1,56 5,57 2.909,58 0.078,59 15.487,60 3.248,61 3.248,62 5.248,63 3.248,64 2,65 2,66 34.16,67 3.08,68 36.587,69 3,70 5.7}
{0 CHEMBL2003271,4 2,5 6,6 6,8 2.104,9 4.716,10 4.716,11 7.716,12 4.716,14 4.103,15 31.278,16 6.1,17 96.7,18 14.132,19 19.386,20 0.094,21 0.037,22 1.19,23 1,24 4,25 17.173,26 -0.026,28 1.236,29 4,30 7.438,31 5.46,32 11.963,33 11.963,34 11.963,35 20.234,36 18.724,37 18.121,38 0.848,39 1.017,40 4.844,41 7.066,44 7.014,45 7.014,46 16.802,47 3.662,48 5.662,49 3.662,50 14.113,51 59.148,52 0.52,53 2,54 5,56 2,57 3.952,58 0.227,59 15.706,60 3.328,61 3.328,62 5.328,63 3.328,66 34.771,67 3.15,68 37.243,69 2,70 6.3}
{0 CHEMBL2003286,4 1,5 3,6 3,8 3.07,9 3.938,10 3.938,11 6.938,12 3.938,14 3.954,15 32.22,16 3.8,18 12.639,19 15.413,20 0.08,21 0.028,24 2,25 15.341,26 0.08,28 0.452,29 1,30 7.449,31 4.309,32 9.153,33 9.153,34 9.153,35 18.044,36 16.764,38 1.104,39 0.921,40 4.727,41 6.763,44 6.165,45 6.165,46 8.592,47 4.802,48 6.802,49 4.802,50 10.216,51 62.319,52 0.434,54 2,55 1,56 1,57 3.067,58 0.132,59 14.115,60 2.967,61 2.967,62 4.967,63 2.967,66 31.392,67 1.909,68 33.576,69 2,70 6.2}
{0 CHEMBL2003341,4 2,5 5,6 7,9 3.928,10 3.928,11 6.928,12 3.928,14 4.016,16 4.8,18 13.015,19 15.916,20 0.076,21 0.028,24 2,25 15.733,26 -0.035,28 0.917,29 6,30 7.429,31 5.507,32 9.409,33 9.409,34 9.409,35 18.445,36 17.208,37 11.994,38 1.073,39 0.959,44 6.244,45 6.244,46 15.34,47 3.592,48 5.592,49 3.592,50 11.666,51 50.821,52 0.366,54 4,56 2,57 3.743,58 0.254,59 14.572,60 2.976,61 2.976,62 4.976,63 2.976,64 1,65 1,66 31.98,67 3.036,68 34.185,69 2,70 5.5}
{0 CHEMBL2003420,8 8.552,9 3.448,10 3.448,11 6.448,12 3.448,14 3.916,16 10.7,18 11.689,19 12.055,20 0.046,21 0.017,25 14.189,26 0.015,28 0.458,30 7.433,31 4.69,32 7.026,33 7.026,34 7.026,35 16.685,36 15.796,38 0.882,39 0.938,44 5.363,45 5.363,46 24.622,47 3.533,48 5.533,49 3.533,50 20.734,51 67.765,52 0.53,54 8,56 6,57 3.458,58 0.09,59 13.408,60 2.56,61 2.56,62 4.56,63 2.56,64 2,65 2,66 28.101,67 1.642,68 30.014,69 4,70 5.5}
{0 CHEMBL2003456,4 1,5 1,6 5,8 6.604,9 4.049,10 4.049,11 7.049,12 4.049,14 4.019,16 12,17 54.107,18 12.77,19 16.159,20 0.062,21 0.028,23 1,24 1,25 15.547,26 -0.076,28 0.386,29 1,30 7.431,31 4.086,32 9.719,33 9.719,34 9.719,35 18.319,36 17.028,38 1.006,39 1.051,40 4.727,41 6.804,44 6.325,45 6.325,46 15.401,47 3.615,48 5.615,49 3.615,50 9.679,51 18.46,52 0.151,54 2,56 3,57 2.437,58 0.037,59 14.327,60 3.045,61 3.045,62 5.045,63 3.045,64 1,65 1,66 32.035,67 2.402,68 34.284,69 1,70 5.5}
{0 CHEMBL2003482,3 2.899,4 1,5 2,6 4,9 4.089,10 4.089,11 7.089,12 4.089,13 1,14 4.038,16 9.1,18 12.94,19 17.057,20 0.069,21 0.023,24 1,25 15.715,26 -0.027,28 0.42,29 3,30 7.429,31 4.973,32 10.319,33 10.319,34 10.319,35 18.492,36 17.159,37 5.813,38 0.916,39 1.012,40 5.352,41 7.391,42 3,44 6.54,45 6.54,46 16.748,47 3.639,48 5.639,49 3.639,50 15.894,51 30.034,52 0.28,54 6,56 3,57 3.185,58 0.104,59 14.435,60 3.087,61 3.087,62 5.087,63 3.087,64 1,65 1,66 32.693,67 1.949,68 35.018,69 3,70 5.5}
{0 CHEMBL2003637,4 1,5 2,6 4,8 2.328,9 4.562,10 4.562,11 7.562,12 4.562,14 4.128,16 15,17 87.553,18 13.941,19 18.174,20 0.076,21 0.025,22 0.622,23 1,24 1,25 16.914,26 0.043,28 0.813,29 6,30 7.815,31 3.987,32 10.996,33 10.996,34 10.996,35 19.898,36 18.434,38 0.999,39 1.006,40 4.727,41 6.843,42 3,44 6.731,45 6.731,46 18.464,47 3.78,48 5.78,49 3.78,50 14.632,51 50.828,52 0.475,53 1,56 6,57 3.546,58 0.121,59 15.494,60 3.192,61 3.192,62 5.192,63 3.192,64 3,65 3,66 33.657,67 3.373,68 36.032,70 7.9}
{0 CHEMBL2003638,3 2.829,4 3,5 6,6 12,8 26.731,9 4.522,10 4.522,11 7.522,12 4.522,13 1,14 4.131,16 12.5,17 129.431,18 13.975,19 17.294,20 0.063,21 0.021,22 1.412,23 1,24 1,25 16.902,26 0.243,27 1,28 0.893,29 4,30 8.201,31 5.489,32 10.481,33 10.481,34 10.481,35 19.844,36 18.416,38 0.908,39 1.053,40 5.352,41 7.402,43 1,44 6.577,45 6.577,46 24.912,47 3.585,48 5.585,49 3.585,50 17.529,51 52.177,52 0.473,53 2,54 6,55 4,56 6,57 3.863,58 0.247,59 15.535,60 3.137,61 3.137,62 5.137,63 3.137,64 3,65 3,66 33.105,67 4.913,68 35.42,69 3,70 7.5}
{0 CHEMBL2003682,4 1,5 3,6 3,8 31.819,9 3.851,10 3.851,11 6.851,12 3.851,14 3.976,16 11.4,18 12.778,19 15.563,20 0.046,21 0.019,24 2,25 15.471,26 0.31,28 0.486,30 8.211,31 5.156,32 9.318,33 9.318,34 9.318,35 18.16,36 16.936,38 0.991,39 1.007,44 6.2,45 6.2,46 23.96,47 3.547,48 5.547,49 3.547,50 17.663,51 84.527,52 0.633,54 4,55 2,56 4,57 3.461,58 0.198,59 14.325,60 2.945,61 2.945,62 4.945,63 2.945,64 1,65 1,66 31.379,67 2.652,68 33.579,69 2,70 6.2}
{0 CHEMBL2003817,4 1,5 3,6 3,8 6.604,9 4.476,10 4.476,11 7.476,12 4.476,14 4.085,16 14.7,18 13.661,19 18.84,20 0.072,21 0.03,22 0.516,24 1,25 16.607,26 0.046,28 0.875,29 1,30 8.513,31 4.961,32 11.72,33 11.72,34 11.72,35 19.566,36 18.131,38 0.969,39 1.007,44 7.121,45 7.121,46 22.484,47 4.461,48 6.461,49 4.461,50 16.178,51 115.143,52 0.862,53 2,54 4,56 5,57 3.464,58 0.197,59 15.231,60 3.335,61 3.335,62 5.335,63 3.335,64 3,65 3,66 34.595,67 3.264,68 37.038,69 2,70 5.5}
{0 CHEMBL2004156,4 2,5 4,6 8,8 29.92,9 4.647,10 4.647,11 7.647,12 4.647,14 4.141,16 8.6,17 88.144,18 14.063,19 18.662,20 0.08,21 0.027,22 0.404,23 1,24 2,25 17.068,26 0.205,28 0.879,29 5,30 8.203,31 5.446,32 11.298,33 11.298,34 11.298,35 20.089,36 18.611,38 0.905,39 1.027,40 4.727,41 6.862,44 6.823,45 6.823,46 2.487,47 3.281,48 5.281,49 3.281,50 5.412,51 56.325,52 0.448,53 1,54 2,56 3,57 3.619,58 0.197,59 15.643,60 3.245,61 3.245,62 5.245,63 3.245,64 2,65 2,66 34.017,67 4.083,68 36.423,69 1,70 6.3}
{0 CHEMBL2004290,4 2,5 4,6 8,8 30.892,9 4.726,10 4.726,11 7.726,12 4.726,14 4.143,15 31.278,16 9.1,17 172.477,18 14.293,19 19.549,20 0.066,21 0.029,22 1.886,23 1,24 3,25 17.297,26 0.096,27 2,28 1.581,29 7,30 7.431,31 5.423,32 11.98,33 11.98,34 11.98,35 20.331,36 18.841,38 1.044,39 0.98,40 5.352,41 7.434,43 2,44 7.013,45 7.013,46 31.066,47 3.562,48 5.562,49 3.562,50 25.408,51 55.602,52 0.456,53 2,54 8,55 3,56 6,57 4.126,58 0.459,59 15.863,60 3.317,61 3.317,62 5.317,63 3.317,64 2,65 2,66 34.917,67 5.147,68 37.373,69 7,70 5.5}
{0 CHEMBL2004311,4 3,5 9,6 9,8 4.276,9 4.276,10 4.276,11 7.276,12 4.276,14 4.075,16 5.8,17 127.275,18 13.594,19 18.87,20 0.068,21 0.031,23 1,24 2,25 16.421,26 0.165,28 1.129,29 8,30 7.432,31 5.392,32 11.367,33 11.367,34 11.367,35 19.254,36 17.895,38 0.871,39 1.016,40 4.727,41 6.823,44 6.849,45 6.849,46 40.338,47 3.652,48 5.652,49 3.652,50 26.744,51 40.182,52 0.174,54 12,56 3,57 3.556,58 0.29,59 15.119,60 3.231,61 3.231,62 5.231,63 3.231,66 34.101,67 3.422,68 36.513,69 6,70 5.5}
{0 CHEMBL2004365,7 1,8 26.259,9 4.213,10 4.213,11 6.985,12 4.213,14 4.043,15 94.775,16 6.4,17 121.768,18 13.471,19 21.094,20 0.065,21 0.035,23 1,25 16.237,26 0.206,27 2,28 2.292,29 6,30 7.44,31 6.155,32 13.094,33 13.094,34 13.094,35 19.019,36 17.655,38 1.114,39 1.006,40 5.687,41 7.703,43 2,44 7.308,45 7.308,46 22.349,47 4.722,48 6.669,49 4.722,50 20.652,51 84.54,52 0.689,54 4,56 3,57 4.161,58 0.372,59 14.919,60 3.485,61 3.485,62 5.485,63 3.485,66 36.073,67 2.456,68 38.63,69 2,70 5.5}
{0 CHEMBL2004419,4 2,5 6,6 6,8 58.363,9 4.743,10 4.743,11 7.743,12 4.743,14 4.202,15 31.278,16 10.2,17 105.934,18 14.638,19 19.466,20 0.074,21 0.022,22 1.678,23 1,24 2,25 17.702,26 -0.124,27 2,28 1.213,29 13,30 8.203,31 7.074,32 12.106,33 12.106,34 12.106,35 20.773,36 19.256,38 1.167,39 1.058,40 5.861,41 8.009,43 2,44 7.033,45 7.033,46 4.86,47 3.417,48 5.417,49 3.417,50 9.117,51 54.292,52 0.533,53 3,54 2,55 1,56 5,57 4.23,58 0.441,59 16.219,60 3.358,61 3.358,62 5.358,63 3.358,64 2,65 2,66 35.242,67 4.924,68 37.711,70 5.5}
{0 CHEMBL2004443,4 2,5 4,6 8,8 29.92,9 4.647,10 4.647,11 7.647,12 4.647,14 4.141,16 8.6,17 89.503,18 14.058,19 18.661,20 0.085,21 0.032,22 0.431,23 1,24 2,25 17.062,26 0.133,28 0.99,29 4,30 8.203,31 5.117,32 11.297,33 11.297,34 11.297,35 20.083,36 18.605,38 0.908,39 1.027,40 4.727,41 6.862,44 6.823,45 6.823,46 2.487,47 3.279,48 5.279,49 3.279,50 5.412,51 60.522,52 0.467,53 1,54 2,56 3,57 3.56,58 0.202,59 15.638,60 3.244,61 3.244,62 5.244,63 3.244,64 2,65 2,66 34.01,67 4.073,68 36.417,69 1,70 6.7}
{0 CHEMBL2004447,3 2.951,4 1,5 2,6 4,8 22.531,9 4.311,10 4.311,11 7.311,12 4.311,13 1,14 4.08,16 10,17 84.021,18 13.543,19 21.079,20 0.088,21 0.034,23 1,24 1,25 16.391,26 -0.353,28 1.479,29 9,30 8.201,31 6.395,32 13.133,33 13.133,34 13.133,35 19.248,36 17.851,38 1.025,39 0.959,40 4.727,41 6.88,44 7.399,45 7.399,46 19.707,47 4.16,48 6.16,49 4.16,50 17.673,51 88.572,52 0.57,54 4,56 4,57 3.458,58 0.061,59 15.037,60 3.5,61 3.5,62 5.5,63 3.5,64 1,65 1,66 36.168,67 2.529,68 38.725,69 3,70 5.5}
{0 CHEMBL2004544,4 3,5 8,6 8,7 2,8 23.542,9 4.864,10 4.864,11 7.864,12 4.864,14 4.161,16 2.4,17 100.322,18 14.626,19 20.51,20 0.083,21 0.032,22 0.562,23 1,24 5,25 17.71,26 0.208,28 1.066,29 8,30 7.762,31 4.585,32 12.634,33 12.634,34 12.634,35 20.808,36 19.272,38 1.059,39 0.99,40 4.595,41 6.581,43 2,44 7.315,45 7.315,46 30.367,47 5.174,48 7.174,49 5.174,50 21.63,51 59.934,52 0.635,53 2,54 8,56 1,57 3.529,58 0.316,59 16.204,60 3.437,61 3.437,62 5.437,63 3.437,66 35.603,67 3.478,68 38.121,69 5,70 5.5}
{0 CHEMBL2004615,8 3.45,9 4.365,10 4.365,11 7.365,12 4.365,14 4.019,15 32.22,16 17.9,18 13.354,19 18.883,20 0.08,21 0.027,25 16.278,26 0.054,28 0.479,29 2,30 7.437,31 4.301,32 11.506,33 11.506,34 11.506,35 19.205,36 17.773,38 1.178,39 0.979,40 4.844,41 7.034,44 6.91,45 6.91,46 12.877,47 4.375,48 6.375,49 4.375,50 12.596,51 39.699,52 0.402,54 3,56 5,57 2.642,58 0.061,59 14.887,60 3.264,61 3.264,62 5.264,63 3.264,64 2,65 2,66 34.224,67 2.113,68 36.658,69 2,70 5.8}
{0 CHEMBL2004631,3 2.829,4 2,5 4,6 8,8 2.757,9 4.524,10 4.524,11 7.524,12 4.524,13 1,14 4.143,16 14,17 97.751,18 14.016,19 18.965,20 0.064,21 0.02,22 1.794,23 1,25 16.979,26 0.115,28 0.684,29 11,30 5.249,31 1.981,32 11.681,33 11.681,34 11.681,35 19.946,36 18.494,38 1.007,39 1.074,40 6.138,41 8.091,42 2,44 6.925,45 6.925,46 16.966,47 3.428,48 5.428,49 3.428,50 14.563,51 27.012,52 0.218,53 2,54 4,55 4,56 6,57 3.642,58 0.097,59 15.57,60 3.277,61 3.277,62 5.277,63 3.277,64 3,65 3,66 34.547,67 3.785,68 36.983,69 2,70 5.7}
{0 CHEMBL2004692,4 1,5 1,6 5,8 20.542,9 4.386,10 4.386,11 7.386,12 4.386,14 4.056,15 31.278,16 20.5,18 13.648,19 19.471,20 0.07,21 0.021,25 16.526,26 0.01,27 1,28 0.889,30 7.43,31 5.607,32 11.974,33 11.974,34 11.974,35 19.415,36 18.005,38 1.001,39 1.011,40 5.687,41 7.687,43 1,44 7.009,45 7.009,46 8.953,47 3.615,48 5.615,49 3.615,50 12.198,51 34.002,52 0.579,54 3,55 3,56 8,57 3.901,58 0.181,59 15.169,60 3.297,61 3.297,62 5.297,63 3.297,64 4,65 4,66 34.79,67 3.333,68 37.263,70 5.5}
{0 CHEMBL2004716,4 2,5 4,6 8,8 19.121,9 4.705,10 4.705,11 7.705,12 4.705,14 4.123,15 31.278,16 8.2,17 187.414,18 14.15,19 19.204,20 0.07,21 0.026,22 1.811,23 1,24 2,25 17.172,26 -0.048,27 1,28 1.337,29 6,30 7.433,31 5.407,32 11.822,33 11.822,34 11.822,35 20.219,36 18.725,38 0.784,39 0.989,40 4.727,41 6.88,43 1,44 6.972,45 6.972,46 37.713,47 3.563,48 5.563,49 3.563,50 29.302,51 52.849,52 0.283,53 2,54 11,56 6,57 4.137,58 0.413,59 15.733,60 3.286,61 3.286,62 5.286,63 3.286,64 1,65 1,66 34.601,67 4.77,68 37.062,69 6,70 6.8}
{0 CHEMBL2004771,4 3,5 7,6 11,8 4.836,9 4.403,10 4.403,11 7.403,12 4.403,14 4.098,16 7.3,17 210.376,18 13.93,19 18.516,20 0.067,21 0.025,22 1.576,23 2,24 1,25 16.851,26 -0.078,28 0.747,29 6,30 7.429,31 4.842,32 11.163,33 11.163,34 11.163,35 19.772,36 18.355,38 1.005,39 1.083,40 5.416,41 7.516,44 6.792,45 6.792,46 27.874,47 3.65,48 5.65,49 3.65,50 17.232,51 32.444,52 0.218,53 2,54 6,56 3,57 3.322,58 0.17,59 15.484,60 3.199,61 3.199,62 5.199,63 3.199,64 1,65 1,66 33.905,67 4.448,68 36.292,69 4,70 5.5}
{0 CHEMBL2004871,4 1,5 2,6 4,8 17.717,9 4.313,10 4.313,11 7.313,12 4.313,14 4.073,16 7.9,18 13.327,19 18.814,20 0.069,21 0.019,24 1,25 16.211,26 -0.124,28 0.622,29 9,30 8.201,31 5.136,32 11.611,33 11.611,34 11.611,35 19.099,36 17.71,38 1.211,39 0.969,40 4.727,41 6.843,44 6.906,45 6.906,46 4.867,47 3.259,48 5.259,49 3.259,50 7.449,51 37.129,52 0.32,56 3,57 3.429,58 0.172,59 14.885,60 3.233,61 3.233,62 5.233,63 3.233,64 2,65 2,66 34.336,67 3.02,68 36.783,69 1,70 5.5}
{0 CHEMBL2004872,4 2,5 4,6 8,9 3.927,10 3.927,11 6.927,12 3.927,14 4.006,16 6.8,18 12.887,19 15.639,20 0.08,21 0.031,24 1,25 15.591,26 0.11,28 0.896,29 8,30 7.429,31 5.463,32 9.158,33 9.158,34 9.158,35 18.287,36 17.076,38 1.064,39 0.967,44 6.185,45 6.185,46 18.055,47 3.586,48 5.586,49 3.586,50 13.021,51 39.176,52 0.184,54 3,55 1,56 3,57 3.417,58 0.185,59 14.463,60 2.944,61 2.944,62 4.944,63 2.944,64 2,65 2,66 31.683,67 3.072,68 33.863,69 3,70 5.5}
{0 CHEMBL2004892,3 2.85,4 2,5 5,6 7,8 4.472,9 4.51,10 4.51,11 7.51,12 4.51,13 1,14 4.129,16 11.4,17 85.762,18 14.27,19 16.756,20 0.078,21 0.032,22 1.748,23 1,24 1,25 17.249,26 -0.116,28 0.712,29 4,30 7.718,31 4.174,32 10.23,33 10.23,34 10.23,35 20.23,36 18.76,38 1.032,39 1.042,40 4.727,41 6.804,44 6.521,45 6.521,46 5.975,47 4.311,48 6.311,49 4.311,50 8.035,51 25.775,52 0.239,53 2,54 4,56 4,57 3.159,58 0.211,59 15.807,60 3.143,61 3.143,62 5.143,63 3.143,64 1,65 1,66 33.288,67 3.305,68 35.6,69 5,70 5.5}
{0 CHEMBL2004934,4 2,5 5,6 7,8 14.96,9 4.094,10 4.094,11 7.094,12 4.094,14 4.022,16 4.4,18 13.131,19 16.831,20 0.082,21 0.028,24 2,25 15.892,26 -0.024,28 0.924,29 9,30 8.201,31 6.438,32 10.033,33 10.033,34 10.033,35 18.654,36 17.373,38 1.045,39 0.971,44 6.474,45 6.474,46 18.717,47 3.594,48 5.594,49 3.594,50 14.648,51 46.281,52 0.256,54 2,56 2,57 3.504,58 0.209,59 14.686,60 3.049,61 3.049,62 5.049,63 3.049,64 1,65 1,66 32.544,67 3.04,68 34.812,69 3,70 5.5}
{0 CHEMBL2005186,3 2.962,4 3,5 7,6 11,8 4.472,9 4.497,10 4.497,11 7.497,12 4.497,13 1,14 4.13,16 10.3,17 128.372,18 14.197,19 17.485,20 0.059,21 0.018,22 3.714,23 1,24 2,25 17.158,26 0.055,28 0.886,29 10,30 7.429,31 4.936,32 10.502,33 10.502,34 10.502,35 20.122,36 18.68,38 0.832,39 1.019,40 4.595,41 6.581,44 6.575,45 6.575,46 31.925,47 3.618,48 5.618,49 3.618,50 20.292,51 45.235,52 0.346,53 4,54 3,55 2,56 6,57 4.133,58 0.355,59 15.767,60 3.134,61 3.134,62 5.134,63 3.134,64 3,65 3,66 33.179,67 5.343,68 35.493,69 7,70 5.5}
{0 CHEMBL2005216,1 1,2 1,3 3.12,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.125,15 39.149,16 12.2,17 114.772,18 14.291,19 18.109,20 0.054,21 0.018,22 1.704,23 1,25 17.274,26 0.093,27 1,28 0.653,29 4,30 7.718,31 4.387,32 10.928,33 10.928,34 10.928,35 20.26,36 18.787,37 6.238,38 0.979,39 1.004,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 22.882,47 4.311,48 6.311,49 4.311,50 15.961,51 62.528,52 0.605,53 2,54 3,55 4,56 6,57 3.884,58 0.317,59 15.83,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.823,67 3.334,68 36.187,69 7,70 6.8}
{0 CHEMBL2005375,4 1,5 3,6 3,7 1,8 4.227,9 4.074,10 4.074,11 7.074,12 4.074,14 4.048,16 8,18 13.315,19 20.265,20 0.073,21 0.023,24 3,25 16.071,26 0.037,28 1.521,29 10,30 7.43,31 6.122,32 12.265,33 12.265,34 12.265,35 18.836,36 17.511,38 1.155,39 0.964,40 4.443,41 6.293,42 12,44 7.095,45 7.095,46 56.934,47 3.94,48 5.94,49 3.94,50 35.279,51 76.738,52 0.607,54 3,55 1,56 6,57 4.143,58 0.462,59 14.799,60 3.364,61 3.364,62 5.364,63 3.364,64 2,65 2,66 35.146,67 2.423,68 37.636,69 4,70 5.5}
{0 CHEMBL2005387,1 1,2 1,3 3.147,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.129,15 39.149,16 10.3,17 82.915,18 13.789,19 18.107,20 0.063,21 0.021,22 1.856,23 1,25 16.766,26 -0.012,27 1,28 0.583,29 5,30 6.449,31 3.806,32 10.927,33 10.927,34 10.927,35 19.753,36 18.292,37 6.129,38 1.037,39 0.946,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 16.4,47 3.353,48 5.353,49 3.353,50 10.973,51 36.228,52 0.345,53 2,54 6,55 1,56 4,57 3.677,58 0.195,59 15.352,60 3.169,61 3.169,62 5.169,63 3.169,64 2,65 2,66 33.739,67 3.208,68 36.103,69 5,70 6.9}
{0 CHEMBL2005475,3 3.089,4 1,5 1,6 5,7 1,8 4.115,9 4.611,10 4.611,11 7.611,12 4.611,13 1,14 4.13,15 31.278,16 6.7,18 13.853,19 18.236,20 0.066,21 0.024,22 1.908,25 16.877,26 -0.079,28 0.706,29 7,30 7.429,31 5.464,32 11.054,33 11.054,34 11.054,35 19.911,36 18.419,38 0.953,39 1.022,40 5.416,41 7.526,42 5,44 6.746,45 6.746,46 5.692,47 3.574,48 5.574,49 3.574,50 5.939,51 33.994,52 0.257,53 2,54 5,56 3,57 3.53,58 0.137,59 15.428,60 3.214,61 3.214,62 5.214,63 3.214,64 1,65 1,66 33.682,67 2.9,68 36.071,69 3,70 5.8}
{0 CHEMBL2005509,1 1,2 1,3 3.158,7 1,8 60.166,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.125,15 39.149,16 14,17 114.911,18 13.782,19 18.109,20 0.057,21 0.017,22 1.799,23 1,25 16.762,26 0.138,27 1,28 0.625,29 2,30 7.431,31 4.454,32 10.928,33 10.928,34 10.928,35 19.751,36 18.289,37 6.261,38 1,39 0.995,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 30.237,47 3.54,48 5.54,49 3.54,50 19.649,51 55.247,52 0.547,53 2,54 7,55 4,56 7,57 3.853,58 0.268,59 15.348,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.515,67 3.272,68 35.892,69 6,70 7.6}
{0 CHEMBL2005528,2 1,3 3.1,4 1,5 3,6 3,8 4.901,9 4.625,10 4.625,11 7.625,12 4.625,13 1,14 4.162,16 6.1,17 106.618,18 13.874,19 18.721,20 0.089,21 0.029,22 1.797,23 2,25 16.904,26 -0.098,28 0.58,29 3,30 7.434,31 4.742,32 11.427,33 11.427,34 11.427,35 19.945,36 18.443,38 1.16,39 1.005,40 4.844,41 7.066,42 1,44 6.854,45 6.854,46 10.17,47 3.671,48 5.671,49 3.671,50 12.088,51 51.087,52 0.368,53 2,54 2,56 2,57 2.803,58 0.109,59 15.435,60 3.265,61 3.265,62 5.265,63 3.265,66 34.133,67 2.313,68 36.559,69 4,70 5.5}
{0 CHEMBL2005631,4 2,5 5,6 7,7 1,8 34.081,9 4.717,10 4.717,11 7.717,12 4.717,14 4.121,15 31.278,16 9.6,17 142.349,18 14.237,19 19.456,20 0.084,21 0.028,22 1.47,23 1,24 3,25 17.255,26 -0.101,27 1,28 1.257,29 4,30 8.201,31 5.858,32 11.944,33 11.944,34 11.944,35 20.296,36 18.801,38 1.025,39 1.023,40 4.727,41 6.88,43 1,44 7.006,45 7.006,46 25.287,47 3.601,48 5.601,49 3.601,50 21.624,51 75.306,52 0.558,53 2,54 11,56 5,57 3.798,58 0.275,59 15.811,60 3.308,61 3.308,62 5.308,63 3.308,64 1,65 1,66 34.774,67 4.339,68 37.239,69 5,70 6.5}
{0 CHEMBL2005718,1 1,2 1,3 3.123,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.13,15 39.149,16 12.5,17 95.147,18 14.282,19 18.107,20 0.06,21 0.019,22 1.789,23 1,25 17.267,26 -0.02,27 1,28 0.528,29 3,30 7.718,31 4.046,32 10.927,33 10.927,34 10.927,35 20.253,36 18.78,37 6.115,38 0.911,39 1.011,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 14.65,47 4.306,48 6.306,49 4.306,50 10.755,51 47.716,52 0.408,53 2,54 6,55 1,56 5,57 3.747,58 0.274,59 15.822,60 3.166,61 3.166,62 5.166,63 3.166,64 2,65 2,66 33.736,67 3.332,68 36.099,69 3,70 7.4}
{0 CHEMBL2005828,4 2,5 4,6 8,8 18.375,9 4.626,10 4.626,11 7.626,12 4.626,14 4.11,16 11.4,17 118.978,18 13.974,19 18.662,20 0.069,21 0.022,22 1.118,23 1,24 2,25 16.976,26 -0.047,27 1,28 0.667,30 7.431,31 5.13,32 11.489,33 11.489,34 11.489,35 19.996,36 18.521,38 0.917,39 1.033,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 22.301,47 3.562,48 5.562,49 3.562,50 17.311,51 37.48,52 0.341,53 2,54 7,55 1,56 5,57 3.415,58 0.193,59 15.558,60 3.229,61 3.229,62 5.229,63 3.229,64 2,65 2,66 34.193,67 4.097,68 36.627,69 5,70 7.3}
{0 CHEMBL2005886,3 3.331,4 2,5 6,6 6,8 13.915,9 4.577,10 4.577,11 7.577,12 4.577,13 1,14 4.144,16 8.3,17 131.029,18 14.022,19 18.247,20 0.074,21 0.028,22 1.685,23 1,24 2,25 16.981,26 -0.038,28 1.383,29 4,30 7.429,31 5.818,32 11.196,33 11.196,34 11.196,35 19.957,36 18.499,37 6.046,38 0.996,39 0.991,40 4.727,41 6.862,43 1,44 6.797,45 6.797,46 47.172,47 3.63,48 5.63,49 3.63,50 32.179,51 66.112,52 0.632,53 2,54 6,55 3,56 5,57 4.188,58 0.414,59 15.573,60 3.235,61 3.235,62 5.235,63 3.235,64 1,65 1,66 34.103,67 3.558,68 36.485,69 7,70 5.5}
{0 CHEMBL2005899,9 4.246,10 4.246,11 7.246,12 4.246,14 4.006,16 6.8,18 13.246,19 20.613,20 0.098,21 0.036,24 1,25 16.075,26 0.218,28 1.417,30 7.433,31 5.053,32 12.613,33 12.613,34 12.613,35 18.918,36 17.532,38 1.188,39 0.88,44 7.205,45 7.205,46 23.584,47 3.916,48 5.916,49 3.916,50 16.136,51 57.936,52 0.444,55 1,56 3,57 3.542,58 0.173,59 14.736,60 3.428,61 3.428,62 5.428,63 3.428,64 1,65 1,66 35.705,67 1.748,68 38.215,70 5.5}
{0 CHEMBL2005936,3 2.943,4 3,5 5,6 13,8 2.757,9 4.537,10 4.537,11 7.537,12 4.537,13 1,14 4.144,16 10.5,17 135.952,18 14.117,19 18.916,20 0.061,21 0.019,22 1.622,23 1,25 17.082,26 0.153,28 1.022,29 15,30 7.429,31 5.14,32 11.65,33 11.65,34 11.65,35 20.052,36 18.604,38 0.949,39 1.03,40 5.416,41 7.526,44 6.914,45 6.914,46 24.041,47 3.598,48 5.598,49 3.598,50 16.433,51 43.137,52 0.32,53 2,54 6,55 4,56 6,57 4.146,58 0.286,59 15.685,60 3.258,61 3.258,62 5.258,63 3.258,64 3,65 3,66 34.563,67 4.255,68 36.995,69 3,70 5.5}
{0 CHEMBL2006010,4 1,5 4,6 2,8 6.604,9 4.576,10 4.576,11 7.576,12 4.576,14 4.077,16 11.4,18 13.929,19 19.055,20 0.087,21 0.029,22 0.906,24 3,25 16.905,26 0.261,28 0.938,29 1,30 8.513,31 5.115,32 11.69,33 11.69,34 11.69,35 19.897,36 18.433,37 12.018,38 1.044,39 1.005,44 7.116,45 7.116,46 25.308,47 4.46,48 6.46,49 4.46,50 18.345,51 108.204,52 0.907,53 2,54 5,56 4,57 3.769,58 0.246,59 15.491,60 3.32,61 3.32,62 5.32,63 3.32,64 2,65 2,66 34.765,67 3.374,68 37.201,69 3,70 5.5}
{0 CHEMBL2006156,4 1,5 3,6 3,8 38.716,9 4.497,10 4.497,11 7.497,12 4.497,14 4.111,16 7.4,18 13.862,19 18.222,20 0.071,21 0.023,22 1.342,24 1,25 16.787,26 -0.192,27 2,28 1.069,29 3,30 7.429,31 5.746,32 11.044,33 11.044,34 11.044,35 19.728,36 18.29,38 0.722,39 0.973,40 5.13,41 6.986,43 2,44 6.737,45 6.737,46 24.392,47 3.748,48 5.748,49 3.748,50 15.508,51 50.345,52 0.372,53 2,54 4,55 1,56 4,57 3.868,58 0.346,59 15.401,60 3.199,61 3.199,62 5.199,63 3.199,64 2,65 2,66 33.977,67 3.585,68 36.346,69 2,70 5.6}
{0 CHEMBL2006188,4 2,5 5,6 7,9 4.086,10 4.086,11 7.086,12 4.086,14 4.032,16 6.9,18 13.15,19 17.018,20 0.074,21 0.029,24 2,25 15.911,26 -0.048,28 1.208,29 9,30 7.429,31 6.067,32 10.139,33 10.139,34 10.139,35 18.67,36 17.389,38 1.048,39 0.965,44 6.495,45 6.495,46 34,47 3.615,48 5.615,49 3.615,50 22.508,51 51.099,52 0.331,54 5,55 1,56 4,57 3.954,58 0.308,59 14.704,60 3.07,61 3.07,62 5.07,63 3.07,64 1,65 1,66 32.696,67 2.939,68 34.973,69 7,70 5.5}
{0 CHEMBL2006237,3 3.228,4 1,5 3,6 3,8 4.472,9 4.567,10 4.567,11 7.567,12 4.567,13 1,14 4.132,16 12.5,17 122.605,18 13.84,19 17.909,20 0.066,21 0.023,22 1.339,23 1,25 16.831,26 0.082,28 0.782,29 3,30 7.437,31 4.629,32 10.846,33 10.846,34 10.846,35 19.833,36 18.363,38 0.989,39 1.005,40 4.727,41 6.862,44 6.694,45 6.694,46 31.619,47 3.546,48 5.546,49 3.546,50 21.255,51 50.584,52 0.394,53 2,54 4,55 2,56 7,57 3.656,58 0.2,59 15.409,60 3.182,61 3.182,62 5.182,63 3.182,64 2,65 2,66 33.458,67 3.347,68 35.822,69 4,70 5.5}
{0 CHEMBL2006263,4 2,5 5,6 7,7 1,9 4.709,10 4.709,11 7.709,12 4.709,14 4.121,16 10.3,18 14.433,19 19.855,20 0.096,21 0.032,22 1.37,24 3,25 17.474,26 0.065,28 0.833,29 7,30 7.717,31 5.382,32 12.509,33 12.509,34 12.509,35 20.522,36 19.016,38 1.146,39 1.019,44 7.308,45 7.308,46 8.394,47 4.686,48 6.686,49 4.686,50 12.483,51 54.064,52 0.381,53 2,54 2,56 4,57 3.401,58 0.254,59 15.998,60 3.393,61 3.393,62 5.393,63 3.393,64 2,65 2,66 35.396,67 3.246,68 37.915,69 4,70 5.5}
{0 CHEMBL2006276,4 2,5 6,6 6,7 1,9 4.133,10 4.133,11 7.133,12 4.133,14 4.045,16 9.8,18 13.298,19 17.574,20 0.063,21 0.022,24 6,25 16.088,26 -0.087,28 0.757,29 7,30 7.429,31 5.517,32 10.61,33 10.61,34 10.61,35 18.878,36 17.565,38 1.072,39 1.034,40 2.708,41 5.38,44 6.619,45 6.619,46 48.592,47 3.629,48 5.629,49 3.629,50 26.994,51 35.938,52 0.403,54 6,55 1,56 4,57 3.451,58 0.235,59 14.842,60 3.159,61 3.159,62 5.159,63 3.159,64 1,65 1,66 33.299,67 3.465,68 35.633,69 8,70 5.5}
{0 CHEMBL2006439,1 1,2 1,3 3.172,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.124,15 39.149,16 12.2,17 84.619,18 13.767,19 18.109,20 0.049,21 0.016,22 1.88,23 1,25 16.755,26 0.115,27 1,28 0.451,29 2,30 5.139,31 2.108,32 10.928,33 10.928,34 10.928,35 19.748,36 18.285,37 6.219,38 0.922,39 1.026,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 19.407,47 3.205,48 5.205,49 3.205,50 11.088,51 29.66,52 0.301,53 2,54 6,55 1,56 5,57 3.645,58 0.14,59 15.338,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.509,67 3.215,68 35.888,69 4,70 7}
{0 CHEMBL2006450,1 1,2 1,3 3.132,7 1,8 56.319,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.129,15 39.149,16 10,17 88.683,18 13.776,19 18.109,20 0.059,21 0.019,22 1.807,23 1,25 16.761,26 0.046,27 1,28 0.556,29 5,30 7.429,31 4.882,32 10.927,33 10.927,34 10.927,35 19.751,36 18.289,37 6.118,38 0.87,39 0.997,40 4.727,41 6.843,43 1,44 6.714,45 6.714,46 12.39,47 3.592,48 5.592,49 3.592,50 9.653,51 37.208,52 0.28,53 2,54 7,55 1,56 4,57 3.563,58 0.222,59 15.345,60 3.167,61 3.167,62 5.167,63 3.167,64 2,65 2,66 33.506,67 3.277,68 35.886,69 4,70 5.4}
{0 CHEMBL2006456,1 1,2 1,3 3.19,7 1,8 55.891,9 4.535,10 4.535,11 7.535,12 4.535,13 1,14 4.126,15 39.149,16 10.9,17 115.05,18 13.772,19 18.109,20 0.057,21 0.019,22 1.869,23 1,25 16.757,26 0.074,27 1,28 0.708,29 8,30 5.14,31 2.192,32 10.928,33 10.928,34 10.928,35 19.749,36 18.286,37 6.303,38 1.015,39 0.982,40 4.727,41 6.843,42 6,43 1,44 6.714,45 6.714,46 31.907,47 3.205,48 5.205,49 3.205,50 18.994,51 41.349,52 0.463,53 2,54 5,55 3,56 6,57 3.859,58 0.218,59 15.341,60 3.167,61 3.167,62 5.167,63 3.167,64 3,65 3,66 33.513,67 3.205,68 35.891,69 7,70 7}
{0 CHEMBL2006493,4 1,5 3,6 3,9 4.213,10 4.213,11 7.213,12 4.213,14 4.043,18 13.305,19 19.353,20 0.092,21 0.039,24 1,25 16.119,26 -0.284,28 0.847,29 6,30 8.513,31 5.182,32 11.773,33 11.773,34 11.773,35 18.941,36 17.563,38 1.334,39 1.002,42 3,44 7.123,45 7.123,46 20.068,47 4.461,48 6.461,49 4.461,50 16.524,51 201.644,52 1.26,57 3.168,58 0.165,59 14.78,60 3.355,61 3.355,62 5.355,63 3.355,66 35.042,67 1.757,68 37.49,70 5.5}
{0 CHEMBL2006580,4 1,5 2,6 4,8 14.099,9 4.582,10 4.582,11 7.582,12 4.582,14 4.055,15 31.278,16 11.5,17 64.659,18 13.784,19 17.93,20 0.071,21 0.023,22 1.661,23 1,24 3,25 16.803,26 -0.091,27 1,28 0.385,29 2,30 6.471,31 3.233,32 11.065,33 11.065,34 11.065,35 19.828,36 18.346,37 6.12,38 0.96,39 1.003,40 4.727,41 6.823,43 1,44 6.771,45 6.771,46 20.57,47 3.343,48 5.343,49 3.343,50 13.245,51 25.984,52 0.335,53 2,54 2,55 1,56 3,57 3.208,58 0.141,59 15.366,60 3.17,61 3.17,62 5.17,63 3.17,64 2,65 2,66 33.659,67 3.121,68 36.059,69 5,70 5.5}
{0 CHEMBL2006715,4 3,5 7,6 11,8 58.118,9 4.68,10 4.68,11 7.68,12 4.68,14 4.161,15 31.278,16 10.4,18 14.395,19 19.438,20 0.065,21 0.018,22 0.731,24 5,25 17.362,26 -0.112,27 2,28 1.289,29 9,30 8.211,31 6.202,32 12.063,33 12.063,34 12.063,35 20.352,36 18.892,38 1.015,39 1.061,40 5.778,41 7.854,42 2,43 2,44 7.021,45 7.021,46 47.849,47 3.766,48 5.766,49 3.766,50 30.521,51 171.991,52 1.203,53 1,54 5,55 1,56 7,57 4.497,58 0.563,59 15.96,60 3.327,61 3.327,62 5.327,63 3.327,64 3,65 3,66 35.089,67 6.704,68 37.546,69 5,70 5.5}
{0 CHEMBL2006778,2 1,3 3.033,4 1,5 4,6 2,8 34.706,9 4.724,10 4.724,11 7.724,12 4.724,13 1,14 4.177,15 31.278,16 9.1,17 197.854,18 14.514,19 19.263,20 0.081,21 0.025,22 2.98,23 2,24 1,25 17.574,26 -0.125,27 1,28 0.91,29 8,30 8.201,31 6.55,32 11.846,33 11.846,34 11.846,35 20.638,36 19.124,38 0.934,39 1.052,40 5.416,41 7.545,43 1,44 6.978,45 6.978,46 7.825,47 3.449,48 5.449,49 3.449,50 11.573,51 49.364,52 0.326,53 4,54 5,56 4,57 3.893,58 0.392,59 16.091,60 3.303,61 3.303,62 5.303,63 3.303,64 1,65 1,66 34.754,67 4.588,68 37.203,69 5,70 5.5}
{0 CHEMBL2006785,4 2,5 6,6 6,8 2.104,9 4.709,10 4.709,11 7.709,12 4.709,14 4.099,15 31.278,16 6.1,17 91.6,18 14.105,19 19.159,20 0.093,21 0.036,22 1.399,23 1,24 3,25 17.149,26 0.146,28 1.094,29 4,30 7.429,31 5.439,32 11.813,33 11.813,34 11.813,35 20.21,36 18.701,37 12.326,38 0.784,39 1.009,40 4.844,41 7.05,44 6.973,45 6.973,46 14.03,47 4.079,48 6.079,49 4.079,50 13.727,51 42.414,52 0.341,53 2,54 4,56 2,57 3.752,58 0.215,59 15.683,60 3.302,61 3.302,62 5.302,63 3.302,66 34.59,67 3.23,68 37.051,69 2,70 5.8}
{0 CHEMBL2006836,4 2,5 4,6 8,8 2.144,9 4.686,10 4.686,11 7.686,12 4.686,14 4.172,16 9.8,17 237.383,18 14.494,19 20.48,20 0.09,21 0.033,22 1.188,23 2,24 1,25 17.487,26 -0.05,28 1.844,29 14,30 7.475,31 6.515,32 12.48,33 12.48,34 12.48,35 20.494,36 19.012,38 1.154,39 0.989,40 5.533,41 7.735,44 7.153,45 7.153,46 23.266,47 4.099,48 6.099,49 4.099,50 21.746,51 74.41,52 0.633,53 2,54 6,55 1,56 5,57 4.07,58 0.578,59 16.045,60 3.421,61 3.421,62 5.421,63 3.421,64 2,65 2,66 35.541,67 5.298,68 38.035,69 2,70 5.5}
{0 CHEMBL2007002,3 2.89,4 3,5 7,6 11,8 2.144,9 4.553,10 4.553,11 7.553,12 4.553,13 1,14 4.137,16 6.8,17 107.846,18 13.957,19 17.977,20 0.079,21 0.026,22 1.482,23 1,24 3,25 16.916,26 -0.118,28 0.913,29 4,30 7.429,31 5.635,32 10.869,33 10.869,34 10.869,35 19.888,36 18.441,38 0.91,39 1.003,40 4.727,41 6.843,44 6.705,45 6.705,46 15.484,47 3.611,48 5.611,49 3.611,50 12.596,51 38.237,52 0.347,53 2,54 4,56 3,57 3.703,58 0.336,59 15.525,60 3.179,61 3.179,62 5.179,63 3.179,64 1,65 1,66 33.541,67 4.044,68 35.9,69 5,70 5.5}
{0 CHEMBL2007044,3 3.19,4 1,5 3,6 3,8 36.818,9 4.393,10 4.393,11 7.393,12 4.393,13 1,14 4.13,16 10.2,17 96.32,18 13.675,19 19.269,20 0.072,21 0.029,23 1,25 16.566,26 -0.155,28 0.973,29 10,30 6.821,31 2.93,32 11.729,33 11.729,34 11.729,35 19.465,36 18.063,38 0.85,39 1.008,40 5.476,41 7.644,42 1,44 6.933,45 6.933,46 21.796,47 4.057,48 6.057,49 4.057,50 20.724,51 34.454,52 0.184,54 3,56 5,57 3.617,58 0.361,59 15.224,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.521,67 4.164,68 36.97,69 2,70 5.5}
{0 CHEMBL2007064,2 1,3 3.266,4 1,5 2,6 4,7 1,8 5.513,9 4.275,10 4.275,11 7.275,12 4.275,13 1,14 4.081,16 4.9,17 92.952,18 13.552,19 18.079,20 0.086,21 0.032,23 1,24 1,25 16.421,26 0.011,28 0.966,29 7,30 7.474,31 5.183,32 11.02,33 11.02,34 11.02,35 19.291,36 17.888,38 0.787,39 0.974,40 5.533,41 7.695,44 6.749,45 6.749,46 15.203,47 3.656,48 5.656,49 3.656,50 14.447,51 43.69,52 0.255,54 4,56 2,57 3.372,58 0.141,59 15.056,60 3.221,61 3.221,62 5.221,63 3.221,66 33.992,67 2.859,68 36.371,69 8,70 5.5}
{0 CHEMBL2007296,4 2,5 4,6 8,9 3.927,10 3.927,11 6.927,12 3.927,14 4.017,16 3.9,18 12.889,19 15.642,20 0.076,21 0.028,24 1,25 15.593,26 -0.038,28 0.924,29 13,30 7.429,31 5.581,32 9.159,33 9.159,34 9.159,35 18.289,36 17.078,38 1.059,39 0.963,44 6.186,45 6.186,46 19.218,47 3.586,48 5.586,49 3.586,50 14.099,51 43.442,52 0.243,54 3,56 2,57 3.563,58 0.209,59 14.465,60 2.945,61 2.945,62 4.945,63 2.945,64 1,65 1,66 31.688,67 3.105,68 33.869,69 3,70 5.5}
{0 CHEMBL2007372,4 1,5 2,6 4,8 33.715,9 4.724,10 4.724,11 7.724,12 4.724,14 4.159,16 12.7,17 124.384,18 14.191,19 19.748,20 0.077,21 0.025,22 0.633,23 1,24 1,25 17.223,26 -0.188,27 1,28 1.289,29 2,30 8.201,31 5.52,32 12.227,33 12.227,34 12.227,35 20.277,36 18.777,38 0.997,39 0.962,40 4.844,41 7.081,43 1,44 7.065,45 7.065,46 24.867,47 3.364,48 5.364,49 3.364,50 16.936,51 88.282,52 0.778,53 1,54 1,56 7,57 4.103,58 0.487,59 15.774,60 3.353,61 3.353,62 5.353,63 3.353,64 4,65 4,66 35.23,67 4.222,68 37.708,69 2,70 5.5}
{0 CHEMBL2007592,4 1,5 1,6 5,8 5.634,9 4.474,10 4.474,11 7.474,12 4.474,14 4.113,15 31.278,16 10.8,17 162.162,18 13.826,19 19.85,20 0.061,21 0.028,23 3,25 16.759,26 0.175,28 0.869,29 3,30 7.43,31 5.362,32 12.229,33 12.229,34 12.229,35 19.7,36 18.255,38 0.883,39 1.09,40 5.476,41 7.67,42 4,44 7.067,45 7.067,46 20.315,47 3.74,48 5.74,49 3.74,50 15.889,51 24.323,52 0.265,54 2,56 4,57 3.457,58 0.079,59 15.354,60 3.381,61 3.381,62 5.381,63 3.381,64 2,65 2,66 35.111,67 3.047,68 37.6,69 2,70 5.7}
{0 CHEMBL2062563,2 1,4 1,5 3,6 3,8 16.243,9 4.667,10 4.667,11 7.667,12 4.667,14 4.192,16 15.6,17 206.293,18 14.431,19 18.507,20 0.072,21 0.021,22 2.461,23 2,24 1,25 17.472,26 0.044,27 1,28 0.906,29 2,30 7.43,31 4.404,32 11.251,33 11.251,34 11.251,35 20.517,36 19.015,38 0.931,39 1.048,40 6.107,41 8.034,42 3,43 1,44 6.799,45 6.799,46 37.103,47 4.072,48 6.072,49 4.072,50 25.975,51 37.322,52 0.345,53 3,54 2,56 7,57 3.872,58 0.275,59 16.004,60 3.258,61 3.258,62 5.258,63 3.258,64 2,65 2,66 34.302,67 4.288,68 36.697,69 6,70 7.523}
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{0 CHEMBL2062585,2 1,4 1,5 3,6 3,8 13.915,9 4.71,10 4.71,11 7.71,12 4.71,14 4.199,16 13,17 253.071,18 14.545,19 18.985,20 0.071,21 0.022,22 2.092,23 2,24 1,25 17.603,26 -0.138,27 1,28 1.236,29 6,30 7.474,31 4.585,32 11.577,33 11.577,34 11.577,35 20.667,36 19.153,38 0.974,39 1,40 6.138,41 8.102,42 3,43 1,44 6.886,45 6.886,46 33.857,47 4.072,48 6.072,49 4.072,50 25.705,51 60.779,52 0.568,53 3,54 3,56 7,57 4.238,58 0.528,59 16.12,60 3.302,61 3.302,62 5.302,63 3.302,64 2,65 2,66 34.675,67 4.278,68 37.099,69 7,70 6.244}
{0 CHEMBL207400,4 1,5 3,6 3,9 4.477,10 4.477,11 7.477,12 4.477,14 4.089,16 10.7,17 57.96,18 13.783,19 21.233,20 0.09,21 0.032,23 1,24 2,25 16.714,26 -0.295,28 1.021,29 2,30 8.513,31 5.337,32 13.233,33 13.233,34 13.233,35 19.659,36 18.206,37 5.756,38 1.051,39 0.973,40 4.844,41 7.081,44 7.428,45 7.428,46 22.451,47 4.48,48 6.48,49 4.48,50 16.962,51 148.211,52 1.015,54 2,56 3,57 3.192,58 0.061,59 15.295,60 3.538,61 3.538,62 5.538,63 3.538,64 1,65 1,66 36.264,67 2.319,68 38.828,70 5.5}
{0 CHEMBL208637,8 7.143,9 4.136,10 4.136,11 7.136,12 4.136,14 3.935,16 14.3,18 12.794,19 16.946,20 0.074,21 0.041,24 1,25 15.626,26 0.113,28 0.66,30 7.43,31 3.85,32 10.058,33 10.058,34 10.058,35 18.461,36 17.09,38 1.368,39 0.902,44 6.478,45 6.478,46 22.096,47 4.087,48 6.087,49 4.087,50 15.702,51 45.898,52 0.367,54 1,56 4,57 2.389,59 14.301,60 3.046,61 3.046,62 5.046,63 3.046,64 1,65 1,66 32.33,67 1.559,68 34.627,69 4,70 5.5}
{0 CHEMBL210618,4 1,5 3,6 3,8 7.143,9 4.136,10 4.136,11 7.136,12 4.136,14 3.977,16 8.7,18 13.257,19 16.947,20 0.074,21 0.034,24 3,25 16.058,26 0.199,28 1.125,29 1,30 7.429,31 5.39,32 10.06,33 10.06,34 10.06,35 18.86,36 17.517,38 1.058,39 0.924,44 6.478,45 6.478,46 36.102,47 4.087,48 6.087,49 4.087,50 26.42,51 63.809,52 0.56,54 2,56 4,57 3.546,58 0.242,59 14.768,60 3.049,61 3.049,62 5.049,63 3.049,64 1,65 1,66 32.608,67 2.358,68 34.886,69 4,70 5.5}
{0 CHEMBL210887,4 2,5 4,6 8,7 1,8 2.144,9 4.573,10 4.573,11 7.573,12 4.573,14 4.127,16 9.8,17 105.165,18 13.981,19 18.17,20 0.078,21 0.03,22 1.556,23 1,24 1,25 16.959,26 0.07,28 1.021,29 2,30 7.815,31 5.455,32 11.091,33 11.091,34 11.091,35 19.947,36 18.48,38 0.979,39 0.952,40 4.844,41 7.034,44 6.754,45 6.754,46 17.843,47 3.783,48 5.783,49 3.783,50 16.251,51 76.871,52 0.693,53 2,54 4,56 4,57 3.6,58 0.211,59 15.534,60 3.201,61 3.201,62 5.201,63 3.201,64 1,65 1,66 33.749,67 3.316,68 36.139,69 2,70 5.5}
{0 CHEMBL210928,4 1,5 4,6 2,8 7.143,9 4.722,10 4.722,11 7.722,12 4.722,14 4.094,16 5.9,18 14.322,19 19.808,20 0.088,21 0.036,24 5,25 17.339,26 0.085,28 1.528,29 2,30 7.716,31 5.517,32 12.298,33 12.298,34 12.298,35 20.376,36 18.87,37 6.03,38 1.192,39 0.933,44 7.258,45 7.258,46 36.242,47 5.192,48 7.192,49 5.192,50 26.813,51 80.876,52 0.923,54 1,56 3,57 3.91,58 0.316,59 15.863,60 3.397,61 3.397,62 5.397,63 3.397,64 1,65 1,66 35.183,67 2.324,68 37.679,69 3,70 5.5}
{0 CHEMBL210963,4 1,5 4,6 2,8 7.143,9 4.722,10 4.722,11 7.722,12 4.722,14 4.095,16 7.7,18 14.349,19 19.808,20 0.086,21 0.037,24 4,25 17.366,26 0.1,28 1.646,29 1,30 7.716,31 5.554,32 12.298,33 12.298,34 12.298,35 20.402,36 18.896,38 1.189,39 0.929,44 7.258,45 7.258,46 37.912,47 5.192,48 7.192,49 5.192,50 28.424,51 94.334,52 0.91,54 2,56 4,57 3.848,58 0.316,59 15.891,60 3.397,61 3.397,62 5.397,63 3.397,64 1,65 1,66 35.209,67 2.466,68 37.701,69 4,70 5.5}
{0 CHEMBL211378,4 2,5 4,6 8,8 6.604,9 4.626,10 4.626,11 7.626,12 4.626,14 4.093,16 14,17 118.128,18 13.979,19 18.662,20 0.063,21 0.023,22 0.896,23 1,24 2,25 16.981,26 0.07,28 0.722,30 7.431,31 5.144,32 11.489,33 11.489,34 11.489,35 20,36 18.526,38 0.945,39 1.027,40 4.727,41 6.862,44 6.884,45 6.884,46 24.218,47 3.563,48 5.563,49 3.563,50 17.311,51 41.324,52 0.432,53 2,54 8,55 1,56 6,57 3.387,58 0.193,59 15.563,60 3.229,61 3.229,62 5.229,63 3.229,64 3,65 3,66 34.194,67 4.106,68 36.628,69 5,70 5.5}
{0 CHEMBL213207,2 1,3 3.198,7 1,8 13.67,9 4.531,10 4.531,11 7.531,12 4.531,13 1,14 4.124,16 11.4,17 86.441,18 13.701,19 18.062,20 0.057,21 0.014,22 1.974,23 1,25 16.699,26 0.165,27 1,28 0.365,29 1,30 5.103,31 1.68,32 10.905,33 10.905,34 10.905,35 19.699,36 18.234,38 0.858,39 1.022,40 4.727,41 6.843,42 5,43 1,44 6.71,45 6.71,46 12.5,47 3.16,48 5.16,49 3.16,50 7.906,51 26.31,52 0.262,53 2,54 6,55 1,56 5,57 3.309,58 0.111,59 15.282,60 3.157,61 3.157,62 5.157,63 3.157,64 3,65 3,66 33.469,67 3.221,68 35.848,69 3,70 7.8}
{0 CHEMBL213505,4 2,5 4,6 8,8 6.604,9 4.626,10 4.626,11 7.626,12 4.626,14 4.094,16 14,17 136.926,18 14.06,19 18.863,20 0.074,21 0.026,22 0.723,23 1,24 2,25 17.045,26 0.177,28 0.966,30 8.513,31 5.112,32 11.69,33 11.69,34 11.69,35 20.05,36 18.58,38 1.042,39 1.027,40 4.727,41 6.862,44 7.116,45 7.116,46 26.901,47 4.46,48 6.46,49 4.46,50 19.34,51 126.051,52 1.074,53 2,54 7,55 1,56 6,57 3.708,58 0.292,59 15.63,60 3.32,61 3.32,62 5.32,63 3.32,64 3,65 3,66 35.007,67 4.184,68 37.455,69 5,70 6.5}
{0 CHEMBL215152,3 2.832,4 2,5 5,6 7,7 1,8 22.373,9 4.464,10 4.464,11 7.464,12 4.464,13 1,14 4.079,16 10.4,18 13.769,19 17.2,20 0.05,21 0.02,22 1.513,24 3,25 16.682,26 0.019,28 0.962,29 3,30 8.201,31 5.319,32 10.306,33 10.306,34 10.306,35 19.611,36 18.193,38 0.857,39 0.961,40 4.595,41 6.555,44 6.529,45 6.529,46 51.895,47 3.63,48 5.63,49 3.63,50 34.329,51 69.112,52 0.757,53 2,54 5,55 2,56 7,57 3.994,58 0.303,59 15.327,60 3.075,61 3.075,62 5.075,63 3.075,64 3,65 3,66 32.722,67 4.241,68 35.033,69 7,70 5.432}
{0 CHEMBL220057,3 2.922,4 3,5 7,6 11,8 8.748,9 4.621,10 4.621,11 7.621,12 4.621,13 1,14 4.134,16 10.9,17 117.778,18 13.977,19 18.697,20 0.063,21 0.026,22 1.792,23 1,24 2,25 16.976,26 0.068,28 0.847,29 4,30 7.431,31 5.182,32 11.471,33 11.471,34 11.471,35 19.991,36 18.519,38 0.97,39 1.046,40 4.727,41 6.823,44 6.879,45 6.879,46 24.218,47 3.563,48 5.563,49 3.563,50 17.311,51 30.274,52 0.14,53 2,54 12,56 5,57 3.346,58 0.195,59 15.559,60 3.223,61 3.223,62 5.223,63 3.223,64 1,65 1,66 34.173,67 4.099,68 36.605,69 7,70 5.5}
{0 CHEMBL220241,4 2,5 4,6 8,8 9.287,9 4.638,10 4.638,11 7.638,12 4.638,14 4.138,16 11.1,17 195.479,18 14.193,19 19.134,20 0.062,21 0.023,22 1.439,23 1,24 3,25 17.157,26 0.079,28 1.407,29 6,30 7.429,31 5.898,32 11.62,33 11.62,34 11.62,35 20.144,36 18.683,38 0.975,39 0.999,40 5.416,41 7.526,44 6.907,45 6.907,46 40.97,47 3.573,48 5.573,49 3.573,50 34.392,51 64.278,52 0.863,53 2,54 3,55 1,56 8,57 4.203,58 0.386,59 15.753,60 3.284,61 3.284,62 5.284,63 3.284,64 4,65 4,66 34.408,67 5.026,68 36.841,69 3,70 6.1}
{0 CHEMBL221959,2 1,3 3.094,8 14.099,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.1,16 14,17 88.881,18 13.527,19 18.665,20 0.095,21 0.029,22 1.783,23 1,25 16.505,26 0.02,27 1,28 0.903,29 4,30 7.428,31 5.035,32 11.145,33 11.145,34 11.145,35 19.49,36 18.023,38 1.02,39 0.951,40 4.595,41 6.605,42 2,43 1,44 6.803,45 6.803,46 21.804,47 4.093,48 6.093,49 4.093,50 16.291,51 72.937,52 0.483,53 2,55 1,56 6,57 3.517,58 0.131,59 15.077,60 3.205,61 3.205,62 5.205,63 3.205,64 2,65 2,66 33.879,67 2.176,68 36.264,69 2,70 5}
{0 CHEMBL223360,3 2.896,4 3,5 8,6 10,8 23.708,9 4.621,10 4.621,11 7.621,12 4.621,13 1,14 4.134,16 10.9,17 123.126,18 14.051,19 18.697,20 0.076,21 0.024,22 1.715,23 1,24 3,25 17.039,26 -0.021,28 0.847,29 4,30 8.201,31 5.783,32 11.471,33 11.471,34 11.471,35 20.043,36 18.574,38 1.008,39 1.046,40 4.727,41 6.823,44 6.879,45 6.879,46 22.095,47 3.575,48 5.575,49 3.575,50 17.267,51 48.52,52 0.337,53 2,54 11,56 5,57 3.447,58 0.207,59 15.623,60 3.223,61 3.223,62 5.223,63 3.223,64 1,65 1,66 34.196,67 4.156,68 36.623,69 6,70 5.25}
{0 CHEMBL223367,4 1,5 4,6 2,8 11.418,9 4.066,10 4.066,11 7.066,12 4.066,14 3.984,16 9.6,18 13.227,19 16.404,20 0.063,21 0.023,24 3,25 16.005,26 -0.105,28 1.125,29 3,30 7.431,31 5.485,32 9.686,33 9.686,34 9.686,35 18.784,36 17.457,37 6.349,38 1.058,39 0.93,42 3,44 6.322,45 6.322,46 35.511,47 4.073,48 6.073,49 4.073,50 27.729,51 82.606,52 0.826,54 4,55 1,56 5,57 4.242,58 0.321,59 14.733,60 3.027,61 3.027,62 5.027,63 3.027,64 2,65 2,66 32.233,67 2.613,68 34.467,69 2,70 5.5}
{0 CHEMBL223460,4 1,5 4,6 2,8 11.418,9 4.452,10 4.452,11 7.452,12 4.452,14 4.035,16 12,18 14.013,19 17.133,20 0.063,21 0.023,24 4,25 16.911,26 -0.053,28 1.236,29 2,30 7.718,31 5.463,32 10.381,33 10.381,34 10.381,35 19.82,36 18.389,37 6.174,38 1.053,39 0.959,42 3,44 6.52,45 6.52,46 35.931,47 4.312,48 6.312,49 4.312,50 27.564,51 89.145,52 0.987,54 2,55 3,56 6,57 4.327,58 0.469,59 15.513,60 3.182,61 3.182,62 5.182,63 3.182,64 2,65 2,66 33.156,67 2.714,68 35.456,69 2,70 5.5}
{0 CHEMBL225519,2 1,3 3.292,8 5.513,9 4.175,10 4.175,11 7.175,12 4.175,13 1,14 4.07,16 11.1,17 53.459,18 13,19 17.181,20 0.071,21 0.029,23 1,25 15.833,26 -0.405,28 0.372,29 2,30 7.429,31 4.587,32 10.391,33 10.391,34 10.391,35 18.667,36 17.3,38 1.035,39 1.044,40 4.727,41 6.862,42 1,44 6.555,45 6.555,46 6.909,47 3.616,48 5.616,49 3.616,50 7.745,51 29.206,52 0.232,56 3,57 2.495,58 0.03,59 14.52,60 3.129,61 3.129,62 5.129,63 3.129,64 1,65 1,66 32.847,67 2.161,68 35.17,69 6,70 6.7}
{0 CHEMBL226232,1 1,2 1,3 3.26,8 47.734,9 4.185,10 4.185,11 7.185,12 4.185,13 1,14 4.071,15 39.149,16 11.1,17 58.173,18 13.108,19 17.203,20 0.074,21 0.025,23 1,25 15.932,26 -0.377,28 0.372,29 3,30 7.429,31 4.628,32 10.401,33 10.401,34 10.401,35 18.758,36 17.391,37 5.846,38 1.07,39 1.037,40 4.727,41 6.862,42 1,44 6.557,45 6.557,46 7.55,47 3.616,48 5.616,49 3.616,50 9.346,51 34.094,52 0.309,56 3,57 2.883,58 0.061,59 14.614,60 3.133,61 3.133,62 5.133,63 3.133,64 1,65 1,66 32.874,67 2.183,68 35.196,69 6,70 5.8}
{0 CHEMBL226403,2 1,3 3.384,4 1,5 2,6 4,8 5.513,9 4.366,10 4.366,11 7.366,12 4.366,13 1,14 4.115,16 9.5,17 95.423,18 13.903,19 17.239,20 0.072,21 0.025,22 2.055,23 1,25 16.803,26 -0.014,28 0.761,29 7,30 7.429,31 4.991,32 10.414,33 10.414,34 10.414,35 19.701,36 18.297,38 0.994,39 1.085,40 4.727,41 6.862,42 1,44 6.56,45 6.56,46 6.909,47 3.616,48 5.616,49 3.616,50 7.745,51 39.042,52 0.293,53 2,55 1,56 4,57 3.546,58 0.229,59 15.449,60 3.141,61 3.141,62 5.141,63 3.141,64 2,65 2,66 33.197,67 4.522,68 35.5,69 6,70 5.5}
{0 CHEMBL226471,2 1,3 3.291,4 1,5 2,6 4,8 20.474,9 4.207,10 4.207,11 7.207,12 4.207,13 1,14 4.088,16 8.1,17 84.713,18 13.479,19 17.3,20 0.078,21 0.024,23 1,24 1,25 16.312,26 -0.077,28 0.649,29 7,30 8.201,31 5.946,32 10.431,33 10.431,34 10.431,35 19.142,36 17.78,38 1.051,39 1.06,40 4.727,41 6.862,42 1,44 6.565,45 6.565,46 7.571,47 3.616,48 5.616,49 3.616,50 9.373,51 55.688,52 0.424,56 3,57 3.373,58 0.232,59 15.002,60 3.144,61 3.144,62 5.144,63 3.144,64 1,65 1,66 33.305,67 3.329,68 35.621,69 6,70 5.5}
{0 CHEMBL230011,4 2,5 4,6 8,8 4.227,9 4.578,10 4.578,11 7.578,12 4.578,14 4.091,16 15,18 14.022,19 18.39,20 0.069,21 0.025,22 0.554,24 2,25 16.989,26 -0.225,28 1.035,29 6,30 6.473,31 3.83,32 11.176,33 11.176,34 11.176,35 19.969,36 18.52,38 0.978,39 0.998,44 6.774,45 6.774,46 9.826,47 3.248,48 5.248,49 3.248,50 10.638,51 47.359,52 0.385,53 2,54 2,55 1,56 6,57 3.901,58 0.358,59 15.597,60 3.234,61 3.234,62 5.234,63 3.234,64 4,65 4,66 33.945,67 4.41,68 36.334,69 4,70 5}
{0 CHEMBL2309006,2 2,4 3,5 10,6 8,8 20.348,9 5.287,10 5.287,11 8.287,12 5.287,14 4.369,16 5.6,17 238.345,18 15.382,19 26.593,20 0.08,21 0.031,22 7.694,23 5,25 18.622,26 -0.213,28 2.737,29 21,30 7.429,31 6.164,32 17.076,33 17.076,34 17.076,35 21.884,36 20.26,38 1.195,39 1.053,40 6.304,41 8.608,42 2,43 1,44 8.578,45 8.578,46 33.429,47 4.216,48 6.216,49 4.216,50 22.317,51 73.412,52 0.757,53 8,54 3,55 1,56 3,57 4.257,58 0.293,59 17.027,60 3.95,61 3.95,62 5.95,63 3.95,66 39.792,67 5.324,68 42.616,69 3,70 6.432}
{0 CHEMBL2309609,2 2,4 4,5 11,6 13,8 20.348,9 5.285,10 5.285,11 8.285,12 5.285,14 4.367,16 5.5,17 428.391,18 15.388,19 24.412,20 0.071,21 0.026,22 8.149,23 6,25 18.621,26 -0.079,28 3.053,29 21,30 7.431,31 6.883,32 15.525,33 15.525,34 15.525,35 21.879,36 20.258,38 1.069,39 1.076,40 6.009,41 8.32,42 4,43 1,44 8.023,45 8.023,46 44.101,47 4.04,48 6.04,49 4.04,50 30.079,51 68.572,52 0.59,53 8,54 2,55 1,56 4,57 4.802,58 0.89,59 17.034,60 3.789,61 3.789,62 5.789,63 3.789,66 38.57,67 6.057,68 41.288,69 2,70 5.509}
{0 CHEMBL231209,4 2,5 4,6 8,8 34.081,9 4.626,10 4.626,11 7.626,12 4.626,14 4.105,15 31.278,16 9.5,17 118.128,18 13.979,19 18.662,20 0.063,21 0.023,22 2.015,23 1,24 3,25 16.981,26 -0.052,27 1,28 0.723,29 4,30 8.201,31 5.179,32 11.489,33 11.489,34 11.489,35 20,36 18.526,38 0.974,39 1.053,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 22.779,47 3.563,48 5.563,49 3.563,50 16.513,51 31.747,52 0.31,53 2,54 9,56 4,57 3.435,58 0.193,59 15.563,60 3.229,61 3.229,62 5.229,63 3.229,64 1,65 1,66 34.194,67 4.106,68 36.628,69 5,70 5.5}
{0 CHEMBL2333365,4 2,5 7,6 5,8 17.288,9 4.731,10 4.731,11 7.731,12 4.731,14 4.108,16 5.6,18 14.416,19 20.259,20 0.098,21 0.029,24 3,25 17.418,26 0.14,28 1.337,29 5,30 8.201,31 6.684,32 12.338,33 12.338,34 12.338,35 20.443,36 18.948,38 1.101,39 1.005,40 2.708,41 5.198,44 7.276,45 7.276,46 22.377,47 5.194,48 7.194,49 5.194,50 20.498,51 165.036,52 1.002,54 1,56 3,57 4.098,58 0.457,59 15.962,60 3.412,61 3.412,62 5.412,63 3.412,64 1,65 1,66 35.309,67 3.345,68 37.796,69 1,70 5}
{0 CHEMBL234085,2 1,3 3.094,8 14.099,9 4.474,10 4.474,11 7.474,12 4.474,13 1,14 4.1,16 14,17 88.881,18 13.527,19 18.665,20 0.095,21 0.029,22 1.783,23 1,25 16.505,26 0.02,27 1,28 0.903,29 4,30 7.428,31 5.035,32 11.145,33 11.145,34 11.145,35 19.49,36 18.023,38 1.02,39 0.951,40 4.595,41 6.605,42 2,43 1,44 6.803,45 6.803,46 21.804,47 4.093,48 6.093,49 4.093,50 16.291,51 72.937,52 0.483,53 2,55 1,56 6,57 3.517,58 0.131,59 15.077,60 3.205,61 3.205,62 5.205,63 3.205,64 2,65 2,66 33.879,67 2.176,68 36.264,69 2,70 5.5}
{0 CHEMBL243088,4 2,5 4,6 8,8 4.227,9 3.951,10 3.951,11 6.951,12 3.951,14 3.982,16 10.5,18 12.946,19 16.379,20 0.051,21 0.021,24 3,25 15.662,26 -0.13,28 0.597,29 2,30 7.475,31 4.243,32 9.816,33 9.816,34 9.816,35 18.369,36 17.143,38 0.944,39 0.951,44 6.417,45 6.417,46 42.894,47 3.608,48 5.608,49 3.608,50 23.408,51 41.225,52 0.486,54 6,56 4,57 3.448,58 0.176,59 14.513,60 2.986,61 2.986,62 4.986,63 2.986,64 2,65 2,66 32.06,67 3.471,68 34.322,69 8,70 7.2}
{0 CHEMBL243298,4 2,5 4,6 8,8 19.187,9 3.951,10 3.951,11 6.951,12 3.951,14 3.983,16 10.8,18 12.946,19 16.379,20 0.051,21 0.021,24 3,25 15.662,26 -0.202,28 0.597,29 2,30 8.201,31 5.208,32 9.816,33 9.816,34 9.816,35 18.369,36 17.143,38 0.967,39 0.979,44 6.417,45 6.417,46 41.975,47 3.608,48 5.608,49 3.608,50 22.879,51 47.489,52 0.537,54 5,56 4,57 3.457,58 0.176,59 14.513,60 2.986,61 2.986,62 4.986,63 2.986,64 2,65 2,66 32.06,67 3.471,68 34.322,69 6,70 8.2}
{0 CHEMBL243518,4 2,5 5,6 7,8 19.187,9 3.952,10 3.952,11 6.952,12 3.952,14 3.99,16 10,18 13.134,19 16.379,20 0.066,21 0.022,24 3,25 15.868,26 -0.258,28 0.653,29 2,30 8.201,31 5.62,32 9.816,33 9.816,34 9.816,35 18.594,36 17.335,38 0.947,39 0.974,44 6.417,45 6.417,46 42.683,47 3.608,48 5.608,49 3.608,50 23.954,51 61.527,52 0.628,54 5,56 4,57 3.53,58 0.238,59 14.677,60 2.987,61 2.987,62 4.987,63 2.987,64 2,65 2,66 32.134,67 3.488,68 34.386,69 6,70 8.2}
{0 CHEMBL244378,3 2.813,4 2,5 5,6 7,8 15.998,9 4.367,10 4.367,11 7.367,12 4.367,13 1,14 4.095,16 15,17 106.35,18 13.695,19 16.379,20 0.056,21 0.02,22 1.844,23 1,24 2,25 16.58,26 -0.188,27 1,28 0.622,29 2,30 7.475,31 4.311,32 9.816,33 9.816,34 9.816,35 19.467,36 18.08,38 0.958,39 1.017,40 4.595,41 6.581,43 1,44 6.417,45 6.417,46 40.027,47 3.608,48 5.608,49 3.608,50 21.251,51 35.598,52 0.452,53 2,54 6,55 2,56 6,57 3.582,58 0.201,59 15.253,60 2.988,61 2.988,62 4.988,63 2.988,64 3,65 3,66 32.391,67 4.4,68 34.643,69 7,70 7.6}
{0 CHEMBL246970,4 1,5 2,6 4,8 4.227,9 4.138,10 4.138,11 7.138,12 4.138,14 4.004,16 11.3,18 13.165,19 16.422,20 0.078,21 0.028,24 2,25 15.951,26 -0.009,28 0.882,30 7.815,31 4.324,32 9.847,33 9.847,34 9.847,35 18.742,36 17.41,37 6.155,38 0.793,39 0.953,42 4,44 6.424,45 6.424,46 32.577,47 3.804,48 5.804,49 3.804,50 22.364,51 102.67,52 0.894,54 7,56 6,57 3.896,58 0.311,59 14.674,60 3.005,61 3.005,62 5.005,63 3.005,64 2,65 2,66 32.177,67 2.257,68 34.435,69 3,70 5.5}
{0 CHEMBL24828,4 2,5 7,6 5,8 17.288,9 4.513,10 4.513,11 7.513,12 4.513,14 4.081,15 45.954,16 7.4,18 13.831,19 17.498,20 0.077,21 0.023,22 1.424,24 5,25 16.782,26 0.013,28 0.958,29 6,30 8.201,31 6.264,32 10.547,33 10.547,34 10.547,35 19.745,36 18.302,38 1.063,39 0.984,42 2,44 6.59,45 6.59,46 33.11,47 3.313,48 5.313,49 3.313,50 25.914,51 59.27,52 0.653,53 2,54 1,56 4,57 4.17,58 0.431,59 15.391,60 3.14,61 3.14,62 5.14,63 3.14,64 2,65 2,66 33.126,67 3.402,68 35.451,69 2,70 5}
{0 CHEMBL248757,4 1,5 4,6 2,8 12.777,9 4.067,10 4.067,11 7.067,12 4.067,14 3.982,15 31.278,16 14,18 13.34,19 16.407,20 0.061,21 0.022,24 4,25 16.097,26 -0.07,28 1.156,29 3,30 7.431,31 5.538,32 9.688,33 9.688,34 9.688,35 18.856,36 17.54,37 6.438,38 1.02,39 0.984,40 4.443,41 6.26,42 2,44 6.323,45 6.323,46 46.934,47 4.073,48 6.073,49 4.073,50 32.403,51 70.549,52 0.873,54 2,55 1,56 7,57 4.35,58 0.307,59 14.839,60 3.029,61 3.029,62 5.029,63 3.029,64 3,65 3,66 32.242,67 3.127,68 34.475,69 2,70 5.477}
{0 CHEMBL249282,3 3.144,4 1,5 3,6 3,8 2.757,9 4.39,10 4.39,11 7.39,12 4.39,13 1,14 4.125,16 10,17 97.75,18 13.644,19 19.269,20 0.063,21 0.027,23 1,24 1,25 16.535,26 -0.151,28 0.952,29 5,30 6.821,31 2.941,32 11.729,33 11.729,34 11.729,35 19.435,36 18.027,38 0.813,39 1.022,40 5.476,41 7.644,42 1,44 6.933,45 6.933,46 28.072,47 4.057,48 6.057,49 4.057,50 23.097,51 33.131,52 0.244,54 3,55 1,56 5,57 3.672,58 0.328,59 15.181,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.522,67 3.523,68 36.97,69 2,70 5.5}
{0 CHEMBL249697,4 1,5 3,6 3,8 7.229,9 4.874,10 4.874,11 7.874,12 4.874,14 4.201,16 13.9,17 51.709,18 14.353,19 19.444,20 0.074,21 0.026,22 2.895,23 1,25 17.487,26 -0.311,28 0.656,29 2,30 5.134,31 1.645,32 11.909,33 11.909,34 11.909,35 20.631,36 19.074,38 1.255,39 1.023,40 4.727,41 6.843,44 6.991,45 6.991,46 14.709,47 3.354,48 5.354,49 3.354,50 12.293,51 21.424,52 0.179,53 3,54 1,56 5,57 2.73,58 0.057,59 15.962,60 3.312,61 3.312,62 5.312,63 3.312,64 2,65 2,66 34.695,67 3.249,68 37.166,70 5}
{0 CHEMBL253969,4 1,5 4,6 2,7 1,8 39.011,9 4.173,10 4.173,11 7.173,12 4.173,14 3.97,15 77.006,16 8.9,18 13.444,19 17.77,20 0.072,21 0.026,24 3,25 16.276,26 -0.153,28 0.941,29 2,30 8.21,31 5.984,32 10.936,33 10.936,34 10.936,35 19.111,36 17.726,38 0.94,39 0.967,40 5.283,41 7.273,42 2,44 6.743,45 6.743,46 38.283,47 3.634,48 5.634,49 3.634,50 30.806,51 177.309,52 1.613,54 2,55 1,56 5,57 4.226,58 0.289,59 14.927,60 3.149,61 3.149,62 5.149,63 3.149,64 1,65 1,66 33.68,67 2.082,68 36.049,69 3,70 5.5}
{0 CHEMBL255863,4 2,5 6,6 6,8 13.67,9 4.104,10 4.104,11 7.104,12 4.104,14 4.066,16 11.5,18 13.75,19 18.855,20 0.072,21 0.024,24 3,25 16.509,26 0.118,27 1,28 1.514,29 7,30 8.513,31 6.105,32 11.744,33 11.744,34 11.744,35 19.266,36 17.967,38 1.017,39 1.019,40 4.595,41 6.555,43 1,44 7.125,45 7.125,46 46.278,47 4.461,48 6.461,49 4.461,50 30.805,51 98.132,52 0.855,54 5,55 2,56 7,57 4.376,58 0.468,59 15.272,60 3.338,61 3.338,62 5.338,63 3.338,64 4,65 4,66 34.597,67 5.103,68 37.035,69 5,70 5}
{0 CHEMBL256835,4 1,5 2,6 4,8 22.103,9 4.34,10 4.34,11 7.34,12 4.34,14 4.088,16 8.3,18 13.463,19 19.3,20 0.074,21 0.024,24 1,25 16.337,26 -0.059,28 1.035,29 6,30 8.201,31 5.371,32 11.923,33 11.923,34 11.923,35 19.222,36 17.829,38 1.091,39 0.953,40 4.727,41 6.862,42 6,44 6.988,45 6.988,46 11.476,47 3.334,48 5.334,49 3.334,50 14.422,51 60.474,52 0.527,55 1,56 4,57 3.968,58 0.319,59 15.004,60 3.286,61 3.286,62 5.286,63 3.286,64 3,65 3,66 34.717,67 2.845,68 37.188,69 2,70 5.5}
{0 CHEMBL259084,4 3,5 8,6 10,7 1,8 31.819,9 4.341,10 4.341,11 7.341,12 4.341,14 4.08,16 8.2,18 13.884,19 19.521,20 0.077,21 0.022,24 4,25 16.731,26 -0.002,28 1.295,29 7,30 8.21,31 6.647,32 11.854,33 11.854,34 11.854,35 19.585,36 18.215,37 6.234,38 1.019,39 1.023,40 2.708,41 5.38,44 6.978,45 6.978,46 35.76,47 3.576,48 5.576,49 3.576,50 25.112,51 133.233,52 1.019,54 5,56 4,57 4.335,58 0.359,59 15.421,60 3.296,61 3.296,62 5.296,63 3.296,64 2,65 2,66 34.789,67 4.626,68 37.236,69 3,70 5}
{0 CHEMBL259922,4 2,5 4,6 8,8 16.427,9 4.615,10 4.615,11 7.615,12 4.615,14 4.125,16 14.6,17 122.698,18 14.104,19 18.687,20 0.073,21 0.019,22 1.449,23 1,24 2,25 17.076,26 -0.113,27 1,28 0.875,29 7,30 7.429,31 5.541,32 11.286,33 11.286,34 11.286,35 20.065,36 18.605,38 1.087,39 1.037,40 5.283,41 7.298,43 1,44 6.818,45 6.818,46 32.402,47 3.577,48 5.577,49 3.577,50 23.925,51 45.511,52 0.54,53 2,54 2,55 2,56 7,57 3.916,58 0.288,59 15.672,60 3.221,61 3.221,62 5.221,63 3.221,64 4,65 4,66 34.034,67 5.008,68 36.433,69 5,70 5.5}
{0 CHEMBL260135,3 2.791,4 2,5 2,6 10,9 4.695,10 4.695,11 7.695,12 4.695,13 1,14 4.127,16 14.3,17 77.379,18 14.062,19 19.732,20 0.063,21 0.022,22 1.33,23 1,25 17.113,26 -0.112,28 0.837,29 12,30 5.295,31 2.076,32 12.256,33 12.256,34 12.256,35 20.173,36 18.673,38 1.188,39 1.073,40 4.727,41 6.823,44 7.081,45 7.081,46 2.5,47 3.339,48 5.339,49 3.339,50 3.162,51 18.972,52 0.138,53 2,54 2,56 5,57 3.311,58 0.062,59 15.663,60 3.329,61 3.329,62 5.329,63 3.329,64 3,65 3,66 35.106,67 4.135,68 37.605,69 2,70 5.5}
{0 CHEMBL261849,4 2,5 5,6 7,8 4.227,9 3.955,10 3.955,11 6.955,12 3.955,14 3.998,16 8.2,18 13.116,19 15.607,20 0.074,21 0.025,24 3,25 15.836,26 -0.024,28 0.764,29 4,30 5.291,31 2.401,32 9.236,33 9.236,34 9.236,35 18.55,36 17.301,38 1.017,39 0.969,44 6.188,45 6.188,46 34.768,47 3.258,48 5.258,49 3.258,50 26.546,51 45.5,52 0.384,54 2,55 1,56 4,57 3.676,58 0.271,59 14.656,60 2.951,61 2.951,62 4.951,63 2.951,64 2,65 2,66 31.57,67 3.125,68 33.756,69 1,70 5}
{0 CHEMBL262433,4 2,5 5,6 7,8 21.564,9 4.626,10 4.626,11 7.626,12 4.626,14 4.078,15 31.052,16 14,17 123.493,18 14.053,19 18.662,20 0.076,21 0.021,22 1.421,23 1,24 3,25 17.044,26 -0.056,28 0.722,30 8.201,31 5.77,32 11.489,33 11.489,34 11.489,35 20.052,36 18.581,38 1.014,39 1.037,40 4.727,41 6.862,44 6.884,45 6.884,46 22.095,47 3.575,48 5.575,49 3.575,50 17.267,51 54.652,52 0.485,53 2,54 7,56 6,57 3.53,58 0.205,59 15.626,60 3.229,61 3.229,62 5.229,63 3.229,64 3,65 3,66 34.216,67 4.163,68 36.646,69 4,70 5.5}
{0 CHEMBL271381,4 3,5 8,6 10,8 11.44,9 4.696,10 4.696,11 7.696,12 4.696,14 4.123,15 45.954,16 8.7,17 126.729,18 14.12,19 19.209,20 0.069,21 0.03,22 1.19,23 1,24 4,25 17.146,26 0.03,28 1.157,29 2,30 7.431,31 5.215,32 11.808,33 11.808,34 11.808,35 20.192,36 18.698,38 0.999,39 1.022,40 4.727,41 6.843,44 6.969,45 6.969,46 27.457,47 3.563,48 5.563,49 3.563,50 20.842,51 31.059,52 0.403,53 2,54 9,56 4,57 3.672,58 0.252,59 15.704,60 3.282,61 3.282,62 5.282,63 3.282,64 1,65 1,66 34.583,67 4.059,68 37.043,69 5,70 5.5}
{0 CHEMBL272453,4 3,5 8,6 10,8 11.44,9 4.621,10 4.621,11 7.621,12 4.621,14 4.118,16 8.7,17 131.818,18 14.056,19 18.697,20 0.074,21 0.028,22 1.391,23 1,24 4,25 17.043,26 0.057,28 0.966,29 4,30 7.431,31 5.254,32 11.471,33 11.471,34 11.471,35 20.046,36 18.577,37 6.076,38 0.968,39 1.017,40 4.727,41 6.823,44 6.879,45 6.879,46 26.323,47 3.565,48 5.565,49 3.565,50 19.564,51 32.974,52 0.427,53 2,54 9,55 1,56 4,57 3.538,58 0.244,59 15.627,60 3.223,61 3.223,62 5.223,63 3.223,64 1,65 1,66 34.192,67 4.14,68 36.62,69 5,70 6.5}
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{0 CHEMBL288441,4 2,5 8,6 4,9 4.576,10 4.576,11 7.576,12 4.576,14 4.102,16 7.7,18 14.059,19 18.287,20 0.082,21 0.024,22 1.351,24 7,25 17.02,26 0.096,28 1.278,29 6,30 6.82,31 3.745,32 11.06,33 11.06,34 11.06,35 19.997,36 18.539,37 12.604,38 0.913,39 0.963,44 6.744,45 6.744,46 46.674,47 4.073,48 6.073,49 4.073,50 34.549,51 65.448,52 0.747,53 2,54 1,56 5,57 4.382,58 0.537,59 15.61,60 3.209,61 3.209,62 5.209,63 3.209,64 1,65 1,66 33.803,67 3.505,68 36.175,69 3,70 5.721}
{0 CHEMBL296468,8 5.449,9 3.913,10 3.913,11 6.55,12 3.913,14 3.964,15 63.497,16 8.2,18 12.866,19 18.723,20 0.07,21 0.02,25 15.543,26 0.03,28 0.511,29 3,30 7.428,31 5.249,32 11.698,33 11.698,34 11.698,35 18.223,36 16.917,38 1.121,39 0.938,40 5.283,41 7.273,42 2,44 7.118,45 7.118,46 36.798,47 4.438,48 6.331,49 4.438,50 26.932,51 59.771,52 0.565,54 1,55 3,56 4,57 3.622,58 0.185,59 14.279,60 3.327,61 3.327,62 5.327,63 3.327,64 2,65 2,66 34.454,67 1.801,68 36.907,69 4,70 5.824}
{0 CHEMBL300138,2 2,4 2,5 4,6 8,8 27.83,9 4.717,10 4.717,11 7.717,12 4.717,14 4.212,16 7.4,17 290.794,18 14.663,19 20.534,20 0.064,21 0.023,22 4.061,23 2,25 17.715,26 -0.068,27 2,28 1.668,29 17,30 7.45,31 6.339,32 12.678,33 12.678,34 12.678,35 20.774,36 19.266,38 1.023,39 1.059,40 5.938,41 8.138,42 3,43 2,44 7.192,45 7.192,46 30.58,47 3.839,48 5.839,49 3.839,50 25.266,51 61.46,52 0.361,53 4,54 2,56 5,57 4.383,58 0.536,59 16.244,60 3.434,61 3.434,62 5.434,63 3.434,64 1,65 1,66 35.828,67 5.129,68 38.337,69 2,70 6.143}
{0 CHEMBL306380,4 1,5 2,6 4,8 2.328,9 4.75,10 4.75,11 7.75,12 4.75,14 4.139,16 12.5,17 76.405,18 14.143,19 20.8,20 0.089,21 0.037,22 1.585,23 1,25 17.215,26 0.055,28 1.063,29 4,30 5.256,31 2.076,32 12.865,33 12.865,34 12.865,35 20.302,36 18.778,38 1.385,39 0.97,40 4.844,41 7.096,44 7.354,45 7.354,46 13.971,47 3.574,48 5.574,49 3.574,50 13.493,51 42.398,52 0.368,53 2,54 1,56 5,57 3.136,58 0.172,59 15.73,60 3.485,61 3.485,62 5.485,63 3.485,64 3,65 3,66 35.851,67 3.101,68 38.39,69 1,70 5.5}
{0 CHEMBL316264,3 3.292,4 2,5 4,6 8,8 32.677,9 4.3,10 4.3,11 7.3,12 4.3,13 1,14 4.088,16 7.9,18 13.48,19 18.235,20 0.074,21 0.03,24 2,25 16.325,26 -0.095,28 1.077,29 14,30 8.203,31 5.262,32 11.08,33 11.08,34 11.08,35 19.179,36 17.823,38 1.016,39 1.057,40 4.727,41 6.862,44 6.747,45 6.747,46 1.325,47 3.209,48 5.209,49 3.209,50 3.255,51 43.54,52 0.335,54 4,56 3,57 3.721,58 0.294,59 15.044,60 3.203,61 3.203,62 5.203,63 3.203,64 2,65 2,66 33.723,67 3.35,68 36.113,69 2,70 5.5}
{0 CHEMBL31965,4 2,5 7,6 5,8 17.288,9 4.514,10 4.514,11 7.514,12 4.514,14 4.085,16 8.5,18 13.844,19 17.491,20 0.067,21 0.018,22 1.258,24 5,25 16.788,26 0.037,28 0.847,29 7,30 8.201,31 5.52,32 10.55,33 10.55,34 10.55,35 19.748,36 18.306,37 5.897,38 0.912,39 0.979,44 6.588,45 6.588,46 45.905,47 3.49,48 5.49,49 3.49,50 31.688,51 69.915,52 0.767,53 2,54 2,55 2,56 5,57 4.23,58 0.447,59 15.4,60 3.141,61 3.141,62 5.141,63 3.141,64 2,65 2,66 33.11,67 3.428,68 35.438,69 5,70 5}
{0 CHEMBL340384,4 2,5 6,6 6,8 11.771,9 4.231,10 4.231,11 7.231,12 4.231,14 4.075,16 7.1,18 13.564,19 19.428,20 0.084,21 0.032,24 4,25 16.372,26 -0.031,28 1.472,29 14,30 7.449,31 5.743,32 11.723,33 11.723,34 11.723,35 19.184,36 17.842,37 6.31,38 0.993,39 1.005,43 1,44 6.947,45 6.947,46 23.987,47 3.768,48 5.768,49 3.768,50 17.465,51 87.525,52 0.651,54 2,56 3,57 4.142,58 0.419,59 15.09,60 3.311,61 3.311,62 5.311,63 3.311,64 1,65 1,66 34.569,67 3.502,68 37.005,69 3,70 5.5}
{0 CHEMBL340921,4 2,5 6,6 6,8 11.771,9 4.231,10 4.231,11 7.231,12 4.231,14 4.079,16 6.7,18 13.564,19 19.428,20 0.084,21 0.032,24 3,25 16.372,26 -0.128,28 1.472,29 16,30 7.449,31 5.776,32 11.723,33 11.723,34 11.723,35 19.184,36 17.842,38 0.982,39 1.001,43 1,44 6.947,45 6.947,46 25.696,47 3.766,48 5.766,49 3.766,50 18.125,51 76.401,52 0.527,54 2,56 3,57 3.96,58 0.419,59 15.09,60 3.311,61 3.311,62 5.311,63 3.311,64 1,65 1,66 34.569,67 3.502,68 37.005,69 3,70 5.5}
{0 CHEMBL362558,2 1,4 1,5 4,6 2,8 47.679,9 4.766,10 4.766,11 7.766,12 4.766,14 4.214,16 9.5,17 244.348,18 14.673,19 20.526,20 0.067,21 0.024,22 1.955,23 2,24 1,25 17.726,26 0.019,27 2,28 1.751,29 5,30 8.201,31 7.032,32 12.703,33 12.703,34 12.703,35 20.79,36 19.274,38 0.933,39 1.069,40 5.938,41 8.138,42 3,43 2,44 7.197,45 7.197,46 28.135,47 3.839,48 5.839,49 3.839,50 24.978,51 112.276,52 0.856,53 3,54 1,56 6,57 4.476,58 0.524,59 16.244,60 3.438,61 3.438,62 5.438,63 3.438,64 1,65 1,66 35.877,67 4.488,68 38.387,69 2,70 5.5}
{0 CHEMBL363648,4 2,5 3,6 9,8 3.686,9 4.269,10 4.269,11 7.269,12 4.269,14 4.048,15 31.278,16 6,18 13.497,19 18.229,20 0.061,21 0.018,25 16.318,26 -0.245,28 0.792,29 17,30 7.429,31 5.477,32 11.029,33 11.029,34 11.029,35 19.147,36 17.805,38 1.045,39 1.014,40 4.727,41 6.843,44 6.732,45 6.732,46 13.633,47 3.571,48 5.571,49 3.571,50 13.583,51 39.011,52 0.254,54 3,56 3,57 3.919,58 0.323,59 15.048,60 3.184,61 3.184,62 5.184,63 3.184,64 2,65 2,66 33.662,67 4.171,68 36.046,69 2,70 5.5}
{0 CHEMBL371206,4 2,5 5,6 7,8 7.962,9 4.703,10 4.703,11 7.703,12 4.703,14 4.105,15 31.278,16 10,17 128.878,18 14.156,19 19.244,20 0.058,21 0.025,22 1.753,23 1,24 2,25 17.181,26 0.139,28 0.941,29 4,30 7.431,31 5.338,32 12.049,33 12.049,34 12.049,35 20.227,36 18.732,38 0.918,39 1.025,40 4.844,41 7.05,44 7.034,45 7.034,46 30.547,47 3.564,48 5.564,49 3.564,50 22.161,51 29.261,52 0.159,53 2,54 10,56 5,57 3.529,58 0.292,59 15.738,60 3.312,61 3.312,62 5.312,63 3.312,64 2,65 2,66 34.857,67 4.16,68 37.34,69 5,70 6.7}
{0 CHEMBL377300,2 2,3 3.093,4 1,5 4,6 2,8 38.591,9 4.663,10 4.663,11 7.663,12 4.663,13 1,14 4.156,16 8.7,17 206.551,18 14.468,19 18.834,20 0.076,21 0.025,22 1.74,23 2,24 3,25 17.522,26 -0.037,27 1,28 0.896,29 3,30 8.201,31 6.836,32 11.511,33 11.511,34 11.511,35 20.577,36 19.069,38 1.07,39 0.969,40 5.476,41 7.627,43 1,44 6.894,45 6.894,46 17.207,47 3.478,48 5.478,49 3.478,50 16.375,51 56.999,52 0.757,53 3,55 2,56 4,57 3.806,58 0.311,59 16.043,60 3.265,61 3.265,62 5.265,63 3.265,64 2,65 2,66 34.501,67 4.102,68 36.918,69 5,70 5}
{0 CHEMBL377383,4 1,5 2,6 4,8 4.815,9 4.66,10 4.66,11 7.66,12 4.66,14 4.082,16 7,18 14.182,19 18.545,20 0.102,21 0.04,24 3,25 17.186,26 0.026,28 1.132,29 2,30 7.716,31 5.241,32 11.657,33 11.657,34 11.657,35 20.207,36 18.712,37 5.98,38 1.151,39 0.956,44 7.111,45 7.111,46 18.596,47 5.18,48 7.18,49 5.18,50 18.149,51 75.523,52 0.609,54 2,55 2,56 3,57 3.502,58 0.329,59 15.722,60 3.313,61 3.313,62 5.313,63 3.313,64 1,65 1,66 34.475,67 2.31,68 36.914,69 2,70 5.5}
{0 CHEMBL377408,4 1,5 2,6 4,8 4.815,9 4.704,10 4.704,11 7.704,12 4.704,14 4.077,16 11.6,18 14.269,19 19.718,20 0.099,21 0.036,24 2,25 17.294,26 0.079,28 1.194,29 1,30 7.726,31 5.339,32 12.232,33 12.232,34 12.232,35 20.333,36 18.827,38 1.013,39 0.959,44 7.247,45 7.247,46 17.182,47 4.685,48 6.685,49 4.685,50 18.249,51 101.185,52 0.615,54 4,55 2,56 5,57 3.715,58 0.292,59 15.817,60 3.375,61 3.375,62 5.375,63 3.375,64 1,65 1,66 35.135,67 2.59,68 37.623,69 3,70 5.5}
{0 CHEMBL378627,4 1,5 4,6 2,8 7.143,9 4.722,10 4.722,11 7.722,12 4.722,14 4.095,16 7.3,18 14.351,19 19.808,20 0.082,21 0.039,24 4,25 17.367,26 0.116,28 1.84,29 1,30 7.716,31 5.618,32 12.298,33 12.298,34 12.298,35 20.402,36 18.897,38 1.217,39 0.925,44 7.258,45 7.258,46 40.237,47 5.192,48 7.192,49 5.192,50 29.502,51 102.021,52 0.935,54 2,56 4,57 3.898,58 0.316,59 15.893,60 3.397,61 3.397,62 5.397,63 3.397,64 1,65 1,66 35.212,67 2.465,68 37.704,69 4,70 5.5}
{0 CHEMBL379218,3 3.015,4 2,5 4,6 8,8 2.757,9 4.51,10 4.51,11 7.51,12 4.51,13 1,14 4.123,16 8.2,17 112.937,18 13.787,19 16.757,20 0.065,21 0.021,22 2.076,23 1,24 1,25 16.744,26 0.086,28 0.663,29 3,30 5.096,31 2.392,32 10.231,33 10.231,34 10.231,35 19.71,36 18.273,38 1.044,39 1.013,40 4.727,41 6.804,44 6.522,45 6.522,46 9.41,47 3.148,48 5.148,49 3.148,50 11.017,51 34.748,52 0.244,53 2,54 4,55 1,56 4,57 3.557,58 0.152,59 15.367,60 3.103,61 3.103,62 5.103,63 3.103,64 2,65 2,66 32.721,67 4.037,68 35.021,69 3,70 6.658}
{0 CHEMBL379835,4 2,5 4,6 8,9 4.477,10 4.477,11 7.477,12 4.477,14 4.109,16 8.6,17 62.546,18 13.805,19 20.72,20 0.074,21 0.032,23 1,24 3,25 16.737,28 1.139,29 7,30 7.427,31 5.821,32 12.72,33 12.72,34 12.72,35 19.68,36 18.241,37 5.984,38 1.179,39 1.01,40 4.844,41 7.066,44 7.219,45 7.219,46 22.268,47 4.221,48 6.221,49 4.221,50 18.095,51 40.249,52 0.511,54 2,56 3,57 3.451,58 0.106,59 15.345,60 3.447,61 3.447,62 5.447,63 3.447,64 1,65 1,66 35.647,67 3.291,68 38.178,70 5.5}
{0 CHEMBL379975,2 1,3 3.254,4 3,5 10,6 8,8 4.288,9 4.947,10 4.947,11 7.947,12 4.947,13 1,14 4.248,16 5.4,17 185.377,18 14.651,19 20.7,20 0.068,21 0.033,22 2.768,23 3,24 2,25 17.774,26 0.043,28 1.588,29 12,30 7.45,31 5.544,32 12.93,33 12.93,34 12.93,35 20.916,36 19.36,37 6.335,38 1.033,39 1.076,40 5.533,41 7.743,44 7.254,45 7.254,46 6.655,47 3.849,48 5.849,49 3.849,50 9.311,51 68.039,52 0.412,53 4,54 6,55 1,56 2,57 3.81,58 0.137,59 16.256,60 3.469,61 3.469,62 5.469,63 3.469,66 35.926,67 4.374,68 38.467,69 8,70 7.5}
{0 CHEMBL384304,4 1,5 4,6 2,8 34.147,9 4.51,10 4.51,11 7.51,12 4.51,14 4.045,16 9.8,18 14.2,19 19.141,20 0.095,21 0.033,24 3,25 17.143,26 -0.055,28 1.347,29 1,30 8.239,31 6.204,32 11.657,33 11.657,34 11.657,35 20.094,36 18.636,38 0.957,39 0.964,42 3,44 7.111,45 7.111,46 46.697,47 4.375,48 6.375,49 4.375,50 28.462,51 211.429,52 1.469,54 2,56 5,57 3.851,58 0.32,59 15.712,60 3.314,61 3.314,62 5.314,63 3.314,64 2,65 2,66 35.01,67 2.409,68 37.452,69 3,70 5}
{0 CHEMBL385478,2 1,3 3.196,7 1,8 13.67,9 4.531,10 4.531,11 7.531,12 4.531,13 1,14 4.124,16 12.2,17 80.117,18 13.703,19 18.065,20 0.052,21 0.01,22 1.975,23 1,25 16.7,26 0.129,27 1,28 0.254,29 1,30 5.103,31 1.689,32 10.906,33 10.906,34 10.906,35 19.7,36 18.235,38 0.983,39 1.03,40 4.727,41 6.843,42 6,43 1,44 6.71,45 6.71,46 17.5,47 3.162,48 5.162,49 3.162,50 9.487,51 23.832,52 0.232,53 2,54 5,55 1,56 5,57 3.214,58 0.1,59 15.283,60 3.158,61 3.158,62 5.158,63 3.158,64 3,65 3,66 33.473,67 3.225,68 35.852,69 4,70 8.2}
{0 CHEMBL386051,4 2,5 5,6 7,8 4.227,9 4.242,10 4.242,11 7.242,12 4.242,14 4.041,15 32.22,16 8.9,18 13.583,19 19.318,20 0.072,21 0.028,24 4,25 16.404,26 0.026,28 1.222,29 5,30 7.428,31 6.003,32 11.619,33 11.619,34 11.619,35 19.228,36 17.878,37 12.608,38 0.849,39 1.011,44 6.941,45 6.941,46 34.898,47 4.328,48 6.328,49 4.328,50 23.154,51 55.763,52 0.529,54 3,56 4,57 3.974,58 0.361,59 15.113,60 3.291,61 3.291,62 5.291,63 3.291,64 2,65 2,66 34.485,67 3.639,68 36.913,69 2,70 5}
{0 CHEMBL387971,3 3.088,4 1,5 3,6 3,8 49.947,9 4.507,10 4.507,11 7.507,12 4.507,13 1,14 4.137,15 31.278,16 6.5,17 122.176,18 13.876,19 20.255,20 0.059,21 0.022,23 1,25 16.814,26 0.059,27 1,28 0.99,29 5,30 7.427,31 6.403,32 12.541,33 12.541,34 12.541,35 19.766,36 18.318,38 1.114,39 1.001,40 5.861,41 8.021,43 1,44 7.165,45 7.165,46 24.611,47 3.728,48 5.728,49 3.728,50 22.157,51 49.935,52 0.345,54 3,56 4,57 4.005,58 0.329,59 15.414,60 3.422,61 3.422,62 5.422,63 3.422,64 1,65 1,66 35.436,67 3.915,68 37.956,69 2,70 5.5}
{0 CHEMBL392642,4 1,5 2,6 4,8 4.227,9 4.138,10 4.138,11 7.138,12 4.138,14 4.005,15 32.22,16 10.5,18 13.184,19 16.422,20 0.076,21 0.029,24 2,25 15.972,26 0.009,28 0.944,30 7.815,31 4.377,32 9.847,33 9.847,34 9.847,35 18.764,36 17.43,38 0.764,39 0.95,42 4,44 6.424,45 6.424,46 32.931,47 4.36,48 6.36,49 4.36,50 23.167,51 89.825,52 0.752,54 7,56 6,57 3.937,58 0.324,59 14.693,60 3.005,61 3.005,62 5.005,63 3.005,64 2,65 2,66 32.289,67 2.309,68 34.545,69 3,70 5.5}
{0 CHEMBL394619,4 2,5 4,6 8,8 19.121,9 4.626,10 4.626,11 7.626,12 4.626,14 4.106,15 31.278,16 8.9,17 118.128,18 13.979,19 18.662,20 0.063,21 0.023,22 2.081,23 1,24 2,25 16.981,26 0.03,27 1,28 0.722,29 4,30 7.431,31 5.181,32 11.489,33 11.489,34 11.489,35 20,36 18.526,38 0.908,39 1.044,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 24.218,47 3.563,48 5.563,49 3.563,50 17.311,51 26.887,52 0.121,53 2,54 10,56 4,57 3.435,58 0.193,59 15.563,60 3.229,61 3.229,62 5.229,63 3.229,64 1,65 1,66 34.194,67 4.106,68 36.628,69 5,70 5.5}
{0 CHEMBL394790,4 2,5 4,6 8,8 19.121,9 4.626,10 4.626,11 7.626,12 4.626,14 4.105,15 31.278,16 9.5,17 118.128,18 13.979,19 18.662,20 0.063,21 0.023,22 2.058,23 1,24 3,25 16.981,26 -0.057,27 1,28 0.723,29 4,30 7.431,31 5.138,32 11.489,33 11.489,34 11.489,35 20,36 18.526,37 5.923,38 0.959,39 1.048,40 4.727,41 6.862,43 1,44 6.884,45 6.884,46 22.737,47 3.563,48 5.563,49 3.563,50 16.486,51 25.558,52 0.231,53 2,54 10,56 4,57 3.482,58 0.193,59 15.563,60 3.229,61 3.229,62 5.229,63 3.229,64 1,65 1,66 34.194,67 4.106,68 36.628,69 5,70 5.7}
{0 CHEMBL396523,3 2.894,4 2,5 5,6 7,8 6.371,9 4.367,10 4.367,11 7.367,12 4.367,13 1,14 4.101,16 15,17 106.35,18 13.695,19 16.379,20 0.056,21 0.02,22 1.914,23 1,24 2,25 16.58,26 0.023,28 0.622,29 2,30 7.475,31 4.312,32 9.816,33 9.816,34 9.816,35 19.467,36 18.08,38 0.956,39 1.017,40 4.595,41 6.581,44 6.417,45 6.417,46 40.027,47 3.608,48 5.608,49 3.608,50 21.251,51 38.011,52 0.457,53 2,54 4,55 2,56 6,57 3.586,58 0.201,59 15.253,60 2.988,61 2.988,62 4.988,63 2.988,64 3,65 3,66 32.391,67 4.4,68 34.643,69 8,70 7.9}
{0 CHEMBL398951,3 3.154,4 1,5 3,6 3,8 2.757,9 4.39,10 4.39,11 7.39,12 4.39,13 1,14 4.126,16 8.9,17 110.516,18 13.644,19 19.269,20 0.06,21 0.024,23 1,24 1,25 16.535,26 -0.056,28 0.896,29 9,30 6.821,31 2.958,32 11.729,33 11.729,34 11.729,35 19.435,36 18.027,38 0.98,39 1.009,40 5.476,41 7.644,42 1,44 6.933,45 6.933,46 29.046,47 4.057,48 6.057,49 4.057,50 24.866,51 37.805,52 0.28,54 3,55 1,56 5,57 3.713,58 0.294,59 15.181,60 3.316,61 3.316,62 5.316,63 3.316,64 2,65 2,66 34.522,67 3.518,68 36.97,69 2,70 5.5}
{0 CHEMBL402846,4 2,5 5,6 7,8 23.708,9 4.708,10 4.708,11 7.708,12 4.708,14 4.136,16 12.5,17 127.39,18 14.198,19 19.198,20 0.077,21 0.027,22 1.664,23 1,24 3,25 17.221,26 -0.012,28 1.021,30 8.201,31 5.806,32 11.8,33 11.8,34 11.8,35 20.264,36 18.769,38 0.96,39 1.028,40 4.844,41 7.018,44 6.97,45 6.97,46 27.095,47 3.575,48 5.575,49 3.575,50 20.429,51 47.007,52 0.365,53 2,54 7,55 1,56 6,57 3.526,58 0.252,59 15.776,60 3.287,61 3.287,62 5.287,63 3.287,64 2,65 2,66 34.589,67 4.188,68 37.045,69 4,70 5.5}
{0 CHEMBL404367,4 2,5 4,6 8,8 8.748,9 4.708,10 4.708,11 7.708,12 4.708,14 4.136,16 12.5,17 122.041,18 14.134,19 19.198,20 0.066,21 0.029,22 1.741,23 1,24 2,25 17.169,26 0.065,28 1.021,30 7.431,31 5.211,32 11.8,33 11.8,34 11.8,35 20.222,36 18.724,38 0.926,39 1.028,40 4.844,41 7.018,44 6.97,45 6.97,46 29.218,47 3.563,48 5.563,49 3.563,50 20.473,51 30.216,52 0.164,53 2,54 8,55 1,56 6,57 3.434,58 0.24,59 15.722,60 3.287,61 3.287,62 5.287,63 3.287,64 2,65 2,66 34.573,67 4.129,68 37.033,69 5,70 5.5}
{0 CHEMBL411903,4 2,5 5,6 7,8 23.892,9 4.09,10 4.09,11 7.09,12 4.09,14 4.015,16 14,18 13.537,19 18.7,20 0.085,21 0.03,24 4,25 16.301,26 0.073,28 1.372,30 8.513,31 5.837,32 11.704,33 11.704,34 11.704,35 19.067,36 17.755,38 1.073,39 1.021,40 2.708,41 5.198,42 1,44 7.119,45 7.119,46 42.357,47 4.461,48 6.461,49 4.461,50 29.523,51 156.614,52 1.193,54 6,56 7,57 3.908,58 0.375,59 15.047,60 3.328,61 3.328,62 5.328,63 3.328,64 2,65 2,66 34.599,67 3.78,68 37.033,69 4,70 6.4}
{0 CHEMBL412142,3 3.143,4 1,5 3,6 3,7 1,8 15.998,9 4.273,10 4.273,11 7.273,12 4.273,13 1,14 4.048,16 16,18 13.602,19 18.574,20 0.069,21 0.026,24 2,25 16.415,26 0.034,27 1,28 1.167,30 6.82,31 2.842,32 11.19,33 11.19,34 11.19,35 19.237,36 17.891,37 12.536,38 1.084,39 1.005,40 4.595,41 6.555,43 1,44 6.791,45 6.791,46 29.273,47 4.057,48 6.057,49 4.057,50 22.72,51 59.168,52 0.596,54 4,56 8,57 4.098,58 0.246,59 15.136,60 3.195,61 3.195,62 5.195,63 3.195,64 4,65 4,66 33.852,67 3.486,68 36.252,69 2,70 5.5}
{0 CHEMBL41783,3 2.686,4 1,5 3,6 3,8 29.92,9 4.527,10 4.527,11 7.527,12 4.527,13 1,14 4.1,16 13.6,17 107.254,18 13.902,19 17.759,20 0.085,21 0.029,22 0.744,23 1,24 2,25 16.873,26 0.052,28 0.948,29 4,30 8.239,31 5.989,32 10.642,33 10.642,34 10.642,35 19.848,36 18.39,38 0.879,39 0.979,40 4.727,41 6.823,44 6.645,45 6.645,46 18.855,47 3.599,48 5.599,49 3.599,50 15.19,51 88.034,52 0.791,53 2,54 1,55 1,56 6,57 3.676,58 0.279,59 15.456,60 3.162,61 3.162,62 5.162,63 3.162,64 3,65 3,66 33.483,67 3.223,68 35.823,69 3,70 5.6}
{0 CHEMBL422897,4 2,5 7,6 5,9 4.38,10 4.38,11 7.38,12 4.38,14 4.063,16 2.1,18 13.663,19 19.814,20 0.082,21 0.031,24 4,25 16.55,26 -0.153,28 1.465,29 5,30 7.428,31 5.769,32 12.191,33 12.191,34 12.191,35 19.447,36 18.034,37 6.246,38 0.92,39 0.919,42 2,44 7.072,45 7.072,46 26.694,47 3.71,48 5.71,49 3.71,50 20.975,51 133.607,52 1.093,54 4,55 1,56 1,57 4.086,58 0.39,59 15.182,60 3.355,61 3.355,62 5.355,63 3.355,66 35.12,67 2.696,68 37.597,69 5,70 5.4}
{0 CHEMBL424872,4 1,5 2,6 4,8 4.815,9 4.66,10 4.66,11 7.66,12 4.66,14 4.082,16 9.1,18 14.213,19 18.545,20 0.099,21 0.042,24 2,25 17.218,26 0.106,28 1.25,29 1,30 7.716,31 5.289,32 11.657,33 11.657,34 11.657,35 20.237,36 18.743,38 1.136,39 0.95,44 7.111,45 7.111,46 20.266,47 5.18,48 7.18,49 5.18,50 19.76,51 93.037,52 0.597,54 2,55 3,56 4,57 3.535,58 0.329,59 15.754,60 3.313,61 3.313,62 5.313,63 3.313,64 1,65 1,66 34.528,67 2.453,68 36.963,69 3,70 5.5}
{0 CHEMBL428690,4 2,5 7,6 5,9 4.38,10 4.38,11 7.38,12 4.38,14 4.063,16 2.1,18 13.663,19 19.814,20 0.082,21 0.031,24 4,25 16.55,26 -0.153,28 1.465,29 5,30 7.428,31 5.769,32 12.191,33 12.191,34 12.191,35 19.447,36 18.034,37 6.246,38 0.92,39 0.919,42 2,44 7.072,45 7.072,46 26.694,47 3.71,48 5.71,49 3.71,50 20.975,51 133.607,52 1.093,54 4,55 1,56 1,57 4.086,58 0.39,59 15.182,60 3.355,61 3.355,62 5.355,63 3.355,66 35.12,67 2.696,68 37.597,69 5,70 5.377}
{0 CHEMBL443962,4 1,5 2,6 4,8 11.771,9 4.507,10 4.507,11 7.507,12 4.507,14 4.108,15 45.954,16 10.7,17 66.194,18 13.722,19 16.87,20 0.087,21 0.036,22 0.812,23 1,24 2,25 16.694,26 0.152,27 1,28 0.542,29 1,30 5.135,31 1.639,32 10.173,33 10.173,34 10.173,35 19.672,36 18.218,38 0.635,39 1.017,40 4.727,41 6.804,43 1,44 6.508,45 6.508,46 5.327,47 3.238,48 5.238,49 3.238,50 5.957,51 13.169,52 0.143,53 1,56 3,57 3.293,58 0.104,59 15.289,60 3.094,61 3.094,62 5.094,63 3.094,64 2,65 2,66 32.631,67 3.142,68 34.928,70 5.5}
{0 CHEMBL445813,3 2.599,4 1,5 3,6 3,8 11.771,9 4.113,10 4.113,11 7.113,12 4.113,13 1,14 3.994,16 11.9,18 13.244,19 17.556,20 0.078,21 0.027,24 3,25 16.051,26 -0.164,27 1,28 0.802,30 7.432,31 5.457,32 10.64,33 10.64,34 10.64,35 18.855,36 17.492,37 12.084,38 0.852,39 0.979,40 4.595,41 6.581,42 3,43 1,44 6.686,45 6.686,46 37.709,47 3.695,48 5.695,49 3.695,50 24.567,51 86.415,52 0.864,54 4,55 1,56 5,57 3.951,58 0.155,59 14.727,60 3.119,61 3.119,62 5.119,63 3.119,64 1,65 1,66 33.446,67 2.165,68 35.786,69 5,70 5}
{0 CHEMBL450786,2 1,3 3.312,4 2,5 6,6 6,8 5.513,9 4.726,10 4.726,11 7.726,12 4.726,13 1,14 4.157,16 5.2,17 190.395,18 14.628,19 20.199,20 0.09,21 0.028,23 1,24 4,25 17.623,26 -0.076,28 2.146,29 11,30 7.714,31 6.841,32 12.597,33 12.597,34 12.597,35 20.635,36 19.142,37 12.486,38 1.033,39 1.015,40 6.075,41 8.148,42 5,44 7.324,45 7.324,46 41.308,47 5.264,48 7.264,49 5.264,50 34.756,51 111.978,52 0.8,54 1,55 1,56 4,57 4.543,58 0.79,59 16.16,60 3.428,61 3.428,62 5.428,63 3.428,66 35.872,67 3.851,68 38.367,69 7,70 6.921}
{0 CHEMBL458997,4 2,5 5,6 7,8 4.227,9 4.01,10 4.01,11 7.01,12 4.01,14 4.01,16 10.3,18 13.379,19 16.737,20 0.077,21 0.023,24 5,25 16.135,26 -0.035,28 1.16,29 2,30 7.429,31 5.176,32 10.021,33 10.021,34 10.021,35 18.886,36 17.591,37 6.324,38 0.944,39 0.98,44 6.467,45 6.467,46 58.098,47 3.585,48 5.585,49 3.585,50 36.264,51 52.222,52 0.577,54 3,55 1,56 6,57 4.207,58 0.34,59 14.899,60 3.038,61 3.038,62 5.038,63 3.038,64 2,65 2,66 32.862,67 3.575,68 35.125,69 4,70 6.5}
{0 CHEMBL462120,4 2,5 4,6 8,9 4.267,10 4.267,11 7.267,12 4.267,14 4.048,16 6.7,18 13.241,19 19.225,20 0.074,21 0.024,24 2,25 16.099,26 0.044,28 0.674,29 7,30 7.43,31 4.899,32 11.721,33 11.721,34 11.721,35 18.965,36 17.59,37 6.037,38 1.129,39 1.041,44 6.951,45 6.951,46 12.133,47 3.654,48 5.654,49 3.654,50 10.664,51 29.263,52 0.176,54 4,56 2,57 3.031,58 0.02,59 14.787,60 3.274,61 3.274,62 5.274,63 3.274,66 34.47,67 2.587,68 36.925,69 3,70 5.5}
{0 CHEMBL464552,2 1,3 3.069,4 2,5 7,6 5,8 30.958,9 4.503,10 4.503,11 7.503,12 4.503,13 1,14 4.121,16 11.8,17 315.729,18 14.202,19 18.074,20 0.075,21 0.023,22 1.171,23 2,24 5,25 17.125,26 -0.163,27 1,28 1.466,29 3,30 8.201,31 6.565,32 10.944,33 10.944,34 10.944,35 20.058,36 18.624,38 1.026,39 1.003,40 5.352,41 7.424,42 1,43 1,44 6.729,45 6.729,46 63.795,47 3.793,48 5.793,49 3.793,50 39.545,51 120.109,52 1.037,53 2,54 5,55 3,56 8,57 4.445,58 0.622,59 15.735,60 3.204,61 3.204,62 5.204,63 3.204,64 2,65 2,66 34.388,67 4.479,68 36.757,69 7,70 5.921}
{0 CHEMBL468280,4 1,5 4,6 2,8 17.288,9 4.37,10 4.37,11 7.37,12 4.37,14 4.064,16 7.4,17 52.217,18 13.605,19 20.302,20 0.097,21 0.038,23 1,24 3,25 16.498,26 0.256,28 0.962,29 1,30 8.201,31 5.509,32 12.302,33 12.302,34 12.302,35 19.398,36 17.972,37 5.742,38 1.349,39 0.968,40 4.727,41 6.843,44 7.108,45 7.108,46 25.798,47 3.756,48 5.756,49 3.756,50 16.893,51 87.348,52 0.753,54 1,56 2,57 2.955,59 15.107,60 3.39,61 3.39,62 5.39,63 3.39,64 1,65 1,66 35.171,67 2.292,68 37.668,69 1,70 5.5}
{0 CHEMBL474432,4 2,5 6,6 6,8 3.503,9 4.602,10 4.602,11 7.602,12 4.602,14 4.14,15 31.278,16 4,17 139.8,18 14.245,19 19.718,20 0.088,21 0.028,22 1.208,23 1,24 3,25 17.201,26 -0.111,28 1.316,29 5,30 8.513,31 5.259,32 12.232,33 12.232,34 12.232,35 20.171,36 18.711,38 0.906,39 0.97,40 5.416,41 7.535,44 7.247,45 7.247,46 28.948,47 4.471,48 6.471,49 4.471,50 26.266,51 105.117,52 1.177,53 2,54 1,55 1,56 2,57 4.26,58 0.67,59 15.782,60 3.375,61 3.375,62 5.375,63 3.375,64 1,65 1,66 35.35,67 4.091,68 37.823,70 5.5}
{0 CHEMBL475251,4 1,5 4,6 2,8 23.843,9 4.111,10 4.111,11 7.111,12 4.111,14 4.006,16 10.5,18 13.643,19 19.836,20 0.082,21 0.025,24 6,25 16.415,26 -0.13,28 1.215,29 2,30 8.201,31 6.439,32 12.355,33 12.355,34 12.355,35 19.188,36 17.862,38 1.136,39 0.952,44 7.282,45 7.282,46 67.244,47 4.104,48 6.104,49 4.104,50 39.73,51 85.717,52 1.098,54 1,56 6,57 4.009,58 0.476,59 15.139,60 3.413,61 3.413,62 5.413,63 3.413,64 3,65 3,66 35.293,67 3.524,68 37.787,69 3,70 5.319}
{0 CHEMBL477772,4 2,5 6,6 6,8 6.984,9 4.71,10 4.71,11 7.71,12 4.71,14 4.133,16 13,17 134.204,18 14.636,19 19.593,20 0.087,21 0.028,22 2.015,23 1,24 3,25 17.675,26 0.196,28 1.118,29 1,30 7.726,31 4.78,32 12.181,33 12.181,34 12.181,35 20.726,36 19.218,38 0.861,39 1.013,40 4.844,41 7.002,44 7.24,45 7.24,46 41.389,47 4.685,48 6.685,49 4.685,50 26.988,51 46.141,52 0.405,53 2,54 4,55 2,56 7,57 3.942,58 0.387,59 16.199,60 3.377,61 3.377,62 5.377,63 3.377,64 3,65 3,66 35.182,67 4.399,68 37.655,69 2,70 5}
{0 CHEMBL481491,4 2,5 4,6 8,8 3.503,9 4.546,10 4.546,11 7.546,12 4.546,14 4.133,15 31.278,16 7,17 120.136,18 14.117,19 19.718,20 0.085,21 0.023,22 1.585,23 1,24 1,25 17.067,26 -0.188,28 0.865,29 7,30 8.513,31 5.182,32 12.232,33 12.232,34 12.232,35 20.023,36 18.573,38 0.848,39 1.031,40 5.416,41 7.535,44 7.247,45 7.247,46 21.755,47 4.471,48 6.471,49 4.471,50 19.58,51 94.875,52 0.835,53 2,54 1,55 1,56 3,57 4.039,58 0.493,59 15.658,60 3.375,61 3.375,62 5.375,63 3.375,64 1,65 1,66 35.309,67 4.044,68 37.785,70 5.5}
{0 CHEMBL482767,4 1,5 2,6 4,7 1,8 20.479,9 4.457,10 4.457,11 7.457,12 4.457,14 4.043,15 62.555,16 14,17 129.119,18 13.734,19 16.99,20 0.053,21 0.025,22 1.99,23 1,24 2,25 16.654,26 0.238,27 1,28 0.695,29 1,30 7.431,31 5.076,32 10.214,33 10.214,34 10.214,35 19.586,36 18.16,37 5.915,38 0.981,39 1.026,40 5.283,41 7.273,43 1,44 6.512,45 6.512,46 35.147,47 3.564,48 5.564,49 3.564,50 23.036,51 33.241,52 0.427,53 2,54 8,56 6,57 3.926,58 0.188,59 15.285,60 3.045,61 3.045,62 5.045,63 3.045,64 3,65 3,66 32.591,67 3.816,68 34.896,69 4,70 5.5}
{0 CHEMBL482967,4 1,5 2,6 4,8 3.257,9 4.146,10 4.146,11 7.146,12 4.146,14 4,15 31.278,16 13,18 13.211,19 16.969,20 0.061,21 0.019,24 2,25 15.992,26 0.288,28 0.608,30 5.164,31 1.899,32 10.165,33 10.165,34 10.165,35 18.776,36 17.455,38 0.931,39 1.014,40 4.727,41 6.783,44 6.5,45 6.5,46 38.25,47 3.141,48 5.141,49 3.141,50 25.529,51 20.531,52 0.172,54 2,55 1,56 6,57 3.47,58 0.177,59 14.737,60 3.071,61 3.071,62 5.071,63 3.071,64 3,65 3,66 32.672,67 3.126,68 34.961,69 3,70 7.2}
{0 CHEMBL483158,4 3,5 9,6 9,7 1,8 16.859,9 4.344,10 4.344,11 7.344,12 4.344,14 4.082,16 7,18 13.997,19 19.588,20 0.075,21 0.023,24 5,25 16.851,26 -0.03,28 1.531,29 7,30 8.201,31 7.045,32 11.911,33 11.911,34 11.911,35 19.71,36 18.332,37 6.347,38 1.005,39 0.993,40 2.708,41 5.38,44 6.989,45 6.989,46 47.196,47 3.619,48 5.619,49 3.619,50 32.111,51 86.59,52 1.078,54 5,56 4,57 4.442,58 0.462,59 15.527,60 3.301,61 3.301,62 5.301,63 3.301,64 2,65 2,66 34.913,67 4.692,68 37.358,69 3,70 5.5}
{0 CHEMBL484390,4 2,5 5,6 7,8 2.144,9 4.597,10 4.597,11 7.597,12 4.597,14 4.141,16 7.7,17 152.454,18 13.972,19 18.395,20 0.083,21 0.029,22 1.665,23 1,24 1,25 16.947,26 0.043,28 1.456,29 8,30 7.43,31 6.019,32 11.142,33 11.142,34 11.142,35 19.944,36 18.473,38 0.993,39 0.972,40 4.844,41 7.034,42 5,44 6.768,45 6.768,46 26.047,47 4.057,48 6.057,49 4.057,50 23.435,51 91.195,52 0.588,53 2,54 5,55 1,56 5,57 4.099,58 0.414,59 15.526,60 3.229,61 3.229,62 5.229,63 3.229,64 1,65 1,66 33.987,67 3.199,68 36.366,69 1,70 5.5}
{0 CHEMBL49120,4 2,5 5,6 7,8 4.227,9 4.242,10 4.242,11 7.242,12 4.242,14 4.044,16 8.1,18 13.58,19 19.318,20 0.075,21 0.026,24 4,25 16.396,26 -0.045,28 1.306,29 5,30 7.428,31 6.11,32 11.619,33 11.619,34 11.619,35 19.219,36 17.871,37 12.673,38 0.698,39 0.977,44 6.941,45 6.941,46 46.515,47 3.774,48 5.774,49 3.774,50 32.546,51 64.336,52 0.568,54 1,56 5,57 4.124,58 0.397,59 15.109,60 3.291,61 3.291,62 5.291,63 3.291,64 2,65 2,66 34.484,67 3.689,68 36.912,69 2,70 5.4}
{0 CHEMBL491473,2 1,3 3.124,4 2,5 8,6 4,8 24.676,9 4.569,10 4.569,11 7.569,12 4.569,13 1,14 4.143,16 6.7,17 134.209,18 14.347,19 18.01,20 0.068,21 0.021,22 2.446,23 1,24 4,25 17.359,26 0.162,28 0.941,29 5,30 8.201,31 7.026,32 10.723,33 10.723,34 10.723,35 20.374,36 18.893,38 0.947,39 1.007,40 5.283,41 7.273,42 2,44 6.671,45 6.671,46 29.075,47 3.446,48 5.446,49 3.446,50 25.689,51 55.404,52 0.687,53 4,55 1,56 4,57 4.015,58 0.411,59 15.915,60 3.184,61 3.184,62 5.184,63 3.184,64 2,65 2,66 33.788,67 4.357,68 36.134,69 4,70 5.25}
{0 CHEMBL491758,4 2,5 2,6 10,8 19.187,9 3.92,10 3.92,11 6.92,12 3.92,14 3.97,16 11.8,18 12.616,19 15.243,20 0.044,21 0.014,24 3,25 15.314,26 -0.112,28 0.361,30 8.201,31 5.779,32 8.997,33 8.997,34 8.997,35 18.006,36 16.835,38 0.98,39 1.02,44 6.116,45 6.116,46 35.377,47 3.205,48 5.205,49 3.205,50 18.93,51 25.888,52 0.241,54 2,56 4,57 3.239,58 0.103,59 14.244,60 2.918,61 2.918,62 4.918,63 2.918,64 2,65 2,66 30.864,67 3.137,68 33.029,69 4,70 5.5}
{0 CHEMBL494089,8 38.533,9 4.775,10 4.775,11 7.775,12 4.775,14 4.147,16 12.1,17 126.052,18 14.281,19 19.91,20 0.073,21 0.029,22 1.3,23 1,24 1,25 17.342,26 0.048,28 1.49,30 6.453,31 4.022,32 12.281,33 12.281,34 12.281,35 20.421,36 18.898,38 1.104,39 0.93,40 5.416,41 7.545,42 2,44 7.083,45 7.083,46 27.057,47 3.811,48 5.811,49 3.811,50 25.311,51 55.895,52 0.765,53 2,55 5,56 7,57 4.191,58 0.454,59 15.857,60 3.37,61 3.37,62 5.37,63 3.37,64 4,65 4,66 35.217,67 3.184,68 37.703,69 5,70 6.409}
{0 CHEMBL497151,4 1,5 2,6 4,8 2.104,9 4.545,10 4.545,11 7.545,12 4.545,14 4.089,15 88.06,16 9.7,17 86.747,18 13.88,19 17.519,20 0.066,21 0.015,22 1.843,23 1,24 3,25 16.842,26 0.021,28 0.434,29 4,30 6.492,31 3.188,32 10.592,33 10.592,34 10.592,35 19.817,36 18.363,38 0.89,39 1.025,40 5.352,41 7.413,44 6.6,45 6.6,46 10.078,47 3.275,48 5.275,49 3.275,50 10.388,51 17.88,52 0.32,53 2,56 3,57 3.954,58 0.164,59 15.441,60 3.156,61 3.156,62 5.156,63 3.156,64 3,65 3,66 33.138,67 3.892,68 35.477,70 6.6}
{0 CHEMBL508928,4 2,5 4,6 8,8 16.047,9 4.667,10 4.667,11 7.667,12 4.667,14 4.153,16 14.5,17 147.046,18 14.214,19 19.147,20 0.071,21 0.025,22 0.662,23 1,24 2,25 17.197,26 0.334,27 1,28 1.101,29 2,30 7.431,31 5.3,32 11.491,33 11.491,34 11.491,35 20.203,36 18.73,38 0.941,39 1.041,40 5.352,41 7.413,43 1,44 6.891,45 6.891,46 26.718,47 3.563,48 5.563,49 3.563,50 20.473,51 39.07,52 0.239,53 1,54 10,55 4,56 8,57 3.761,58 0.305,59 15.78,60 3.275,61 3.275,62 5.275,63 3.275,64 3,65 3,66 34.319,67 4.86,68 36.735,69 5,70 6.6}
{0 CHEMBL50894,2 1,3 3.284,4 2,5 5,6 7,8 4.901,9 4.652,10 4.652,11 7.652,12 4.652,13 1,14 4.187,16 9.1,17 47.429,18 14.112,19 19.279,20 0.072,21 0.029,22 1.51,23 1,24 2,25 17.117,26 0.006,28 0.942,29 9,30 7.815,31 5.11,32 11.728,33 11.728,34 11.728,35 20.136,36 18.649,38 1.109,39 1.063,40 4.949,41 7.222,42 1,44 6.929,45 6.929,46 19.872,47 3.783,48 5.783,49 3.783,50 15.369,51 54.08,52 0.423,53 2,54 4,55 1,56 3,57 3.117,58 0.149,59 15.671,60 3.309,61 3.309,62 5.309,63 3.309,66 34.531,67 3.595,68 36.977,69 7,70 5.5}
{0 CHEMBL509032,4 2,5 5,6 7,8 4.227,9 4.789,10 4.789,11 7.789,12 4.789,14 4.117,16 8.5,18 14.414,19 21.688,20 0.094,21 0.026,24 6,25 17.45,26 0.054,28 1.722,29 7,30 7.714,31 5.909,32 13.626,33 13.626,34 13.626,35 20.514,36 18.998,37 6.41,38 0.909,39 0.973,42 3,44 7.68,45 7.68,46 76.143,47 5.35,48 7.35,49 5.35,50 45.937,51 112.54,52 0.886,54 1,55 1,56 7,57 4.534,58 0.542,59 15.975,60 3.523,61 3.523,62 5.523,63 3.523,64 2,65 2,66 36.584,67 3.708,68 39.189,69 2,70 5.429}
{0 CHEMBL513846,4 1,5 2,6 4,8 26.299,9 4.626,10 4.626,11 7.626,12 4.626,14 4.143,15 31.278,16 10.8,17 89.249,18 13.981,19 18.804,20 0.06,21 0.019,22 0.918,23 1,24 2,25 16.987,26 0.053,27 2,28 0.525,29 5,30 6.471,31 3.333,32 11.609,33 11.609,34 11.609,35 20.006,36 18.525,38 1.211,39 1.026,40 5.416,41 7.526,43 2,44 6.912,45 6.912,46 20.133,47 3.299,48 5.299,49 3.299,50 14.069,51 22.605,52 0.232,53 1,55 1,56 4,57 3.299,58 0.196,59 15.555,60 3.262,61 3.262,62 5.262,63 3.262,64 2,65 2,66 34.337,67 4.032,68 36.783,69 5,70 6}
{0 CHEMBL513909,4 1,5 3,6 3,7 1,8 4.227,9 4.074,10 4.074,11 7.074,12 4.074,14 4.048,16 9.1,18 13.319,19 20.265,20 0.078,21 0.024,24 3,25 16.073,26 0.002,28 1.576,29 8,30 7.43,31 6.135,32 12.265,33 12.265,34 12.265,35 18.837,36 17.512,38 1.151,39 0.96,40 4.443,41 6.293,42 9,44 7.095,45 7.095,46 69.22,47 3.94,48 5.94,49 3.94,50 41.796,51 79.905,52 0.654,54 2,55 1,56 7,57 4.183,58 0.502,59 14.802,60 3.364,61 3.364,62 5.364,63 3.364,64 2,65 2,66 35.146,67 2.423,68 37.636,69 4,70 5.538}
{0 CHEMBL514499,4 2,5 6,6 6,8 3.503,9 4.602,10 4.602,11 7.602,12 4.602,14 4.141,15 31.278,16 5.9,17 139.8,18 14.245,19 19.718,20 0.088,21 0.028,22 1.28,23 1,24 3,25 17.201,26 -0.12,28 1.316,29 5,30 8.513,31 5.279,32 12.232,33 12.232,34 12.232,35 20.171,36 18.711,38 0.902,39 0.995,40 5.416,41 7.535,44 7.247,45 7.247,46 29.695,47 4.471,48 6.471,49 4.471,50 26.813,51 90.609,52 1.045,53 2,54 1,55 1,56 3,57 4.251,58 0.67,59 15.782,60 3.375,61 3.375,62 5.375,63 3.375,64 1,65 1,66 35.35,67 4.091,68 37.823,70 5.5}
{0 CHEMBL519697,4 2,5 5,6 7,8 2.144,9 4.588,10 4.588,11 7.588,12 4.588,14 4.132,16 8.9,17 136.944,18 13.956,19 18.087,20 0.088,21 0.032,22 1.566,23 1,24 1,25 16.928,26 0.036,28 1.292,29 5,30 7.43,31 5.878,32 10.838,33 10.838,34 10.838,35 19.921,36 18.452,38 0.925,39 0.983,40 4.844,41 7.018,42 5,44 6.708,45 6.708,46 26.047,47 4.057,48 6.057,49 4.057,50 21.854,51 91.616,52 0.547,53 2,54 4,55 1,56 5,57 3.881,58 0.332,59 15.509,60 3.209,61 3.209,62 5.209,63 3.209,64 1,65 1,66 33.686,67 3.221,68 36.033,69 1,70 5.5}
{0 CHEMBL521851,3 3.03,4 1,5 3,6 3,8 6.576,9 4.618,10 4.618,11 7.618,12 4.618,13 1,14 4.155,15 31.278,16 11.3,17 276.737,18 14.701,19 18.927,20 0.068,21 0.026,22 3.976,23 2,25 17.723,26 -0.102,28 1.421,29 3,30 7.716,31 4.845,32 11.657,33 11.657,34 11.657,35 20.745,36 19.25,38 1.098,39 1.04,40 5.352,41 7.424,44 7.111,45 7.111,46 35.664,47 4.375,48 6.375,49 4.375,50 24.599,51 65.169,52 0.565,53 4,54 1,55 1,56 7,57 4.376,58 0.369,59 16.252,60 3.314,61 3.314,62 5.314,63 3.314,64 3,65 3,66 35.025,67 3.989,68 37.452,69 2,70 6.284}
{0 CHEMBL522892,3 3.155,4 2,5 6,6 6,8 17.104,9 4.499,10 4.499,11 7.499,12 4.499,13 1,14 4.142,16 12,17 103.645,18 14.053,19 19.431,20 0.077,21 0.037,22 1.536,23 1,24 3,25 17.001,26 -0.055,28 1.487,29 2,30 8.201,31 6.324,32 11.831,33 11.831,34 11.831,35 19.955,36 18.508,38 0.921,39 1.063,40 4.727,41 6.843,44 6.995,45 6.995,46 38.408,47 3.682,48 5.682,49 3.682,50 24.416,51 85.154,52 0.681,53 2,54 4,56 6,57 3.733,58 0.277,59 15.595,60 3.315,61 3.315,62 5.315,63 3.315,64 1,65 1,66 34.725,67 3.689,68 37.169,69 7,70 5.5}
{0 CHEMBL52387,4 1,5 1,6 5,8 4.227,9 4.614,10 4.614,11 7.614,12 4.614,14 4.109,16 11.5,17 107.706,18 13.844,19 18.537,20 0.064,21 0.025,22 1.526,23 1,25 16.871,26 0.099,28 0.854,30 6.456,31 3.474,32 11.227,33 11.227,34 11.227,35 19.909,36 18.418,38 1.028,39 0.936,40 4.727,41 6.862,44 6.805,45 6.805,46 38.665,47 3.293,48 5.293,49 3.293,50 24.833,51 44.897,52 0.425,53 2,54 3,55 1,56 6,57 3.846,58 0.38,59 15.427,60 3.226,61 3.226,62 5.226,63 3.226,64 3,65 3,66 33.879,67 2.998,68 36.287,69 2,70 5.5}
{0 CHEMBL525191,4 1,5 3,6 3,8 11.771,9 4.287,10 4.287,11 7.287,12 4.287,14 4.096,16 9.3,17 94.583,18 13.553,19 18.255,20 0.068,21 0.022,23 1,25 16.413,26 -0.231,27 1,28 0.771,29 7,30 6.543,31 3.236,32 11.05,33 11.05,34 11.05,35 19.274,36 17.892,38 1.13,39 0.969,40 5.416,41 7.526,42 2,43 1,44 6.739,45 6.739,46 8.152,47 3.778,48 5.778,49 3.778,50 10.747,51 35.055,52 0.239,54 3,56 4,57 3.659,58 0.268,59 15.084,60 3.205,61 3.205,62 5.205,63 3.205,64 2,65 2,66 33.943,67 3.366,68 36.32,70 5}
{0 CHEMBL526133,3 2.909,4 2,5 4,6 8,8 6.42,9 4.387,10 4.387,11 7.387,12 4.387,13 1,14 4.112,16 11.8,17 81.571,18 13.616,19 16.375,20 0.063,21 0.027,22 1.942,23 1,25 16.517,26 -0.073,28 0.753,29 5,30 7.433,31 4.886,32 9.8,33 9.8,34 9.8,35 19.423,36 18.019,38 0.937,39 1.068,40 4.595,41 6.581,44 6.349,45 6.349,46 16.814,47 3.617,48 5.617,49 3.617,50 10.63,51 20.44,52 0.154,53 2,54 4,56 4,57 3.282,58 0.141,59 15.171,60 3.057,61 3.057,62 5.057,63 3.057,64 1,65 1,66 32.376,67 3.588,68 34.622,69 4,70 6.8}
{0 CHEMBL535,2 1,3 3.187,4 1,5 3,6 3,8 20.474,9 4.332,10 4.332,11 7.332,12 4.332,13 1,14 4.085,16 7.1,17 128.978,18 13.707,19 18.419,20 0.086,21 0.028,23 1,24 2,25 16.591,26 -0.052,28 1.07,29 5,30 8.201,31 5.703,32 11.257,33 11.257,34 11.257,35 19.48,36 18.063,38 0.782,39 0.973,40 5.533,41 7.703,44 6.845,45 6.845,46 30.71,47 3.668,48 5.668,49 3.668,50 25.99,51 54.094,52 0.334,54 3,55 1,56 4,57 3.867,58 0.463,59 15.209,60 3.256,61 3.256,62 5.256,63 3.256,66 34.395,67 2.844,68 36.799,69 8,70 7.509}
{0 CHEMBL539474,2 1,4 1,5 3,6 3,8 14.528,9 4.266,10 4.266,11 7.266,12 4.266,14 4.101,16 8.3,17 63.631,18 13.282,19 18.799,20 0.076,21 0.022,23 1,24 2,25 16.125,26 -0.106,27 1,28 0.501,29 8,30 7.43,31 5.021,32 11.28,33 11.28,34 11.28,35 18.981,36 17.588,38 1.116,39 1.046,40 5.283,41 7.273,42 2,43 1,44 6.819,45 6.819,46 30.643,47 3.739,48 5.739,49 3.739,50 22.608,51 49.139,52 0.316,54 2,55 1,56 3,57 3.042,58 0.182,59 14.78,60 3.236,61 3.236,62 5.236,63 3.236,66 33.971,67 2.369,68 36.378,69 1,70 6.4}
{0 CHEMBL553,4 2,5 6,6 6,8 54.451,9 4.513,10 4.513,11 7.513,12 4.513,14 4.079,16 5.8,18 13.76,19 17.476,20 0.056,21 0.019,22 1.521,24 3,25 16.721,26 -0.104,28 0.792,29 5,30 5.448,31 2.357,32 10.539,33 10.539,34 10.539,35 19.693,36 18.248,38 1.021,39 0.947,43 1,44 6.586,45 6.586,46 33.398,47 3.304,48 5.304,49 3.304,50 25.355,51 32.353,52 0.305,53 2,54 3,56 3,57 3.969,58 0.303,59 15.333,60 3.136,61 3.136,62 5.136,63 3.136,64 2,65 2,66 33.061,67 3.591,68 35.394,69 3,70 5.25}
{0 CHEMBL554,4 3,5 8,6 10,8 28.186,9 4.484,10 4.484,11 7.484,12 4.484,14 4.112,16 6.1,18 14.429,19 17.268,20 0.065,21 0.022,22 1.531,24 4,25 17.357,26 -0.067,28 1.153,29 10,30 8.201,31 5.431,32 10.419,33 10.419,34 10.419,35 20.294,36 18.857,37 6.467,38 0.953,39 1.012,40 4.595,41 6.581,44 6.557,45 6.557,46 40.3,47 5.046,48 7.046,49 5.046,50 28.108,51 86.989,52 0.861,53 2,54 4,56 4,57 4.433,58 0.45,59 15.962,60 3.113,61 3.113,62 5.113,63 3.113,64 2,65 2,66 33.39,67 5.393,68 35.693,69 3,70 5.25}
{0 CHEMBL558752,3 2.459,4 2,5 5,6 7,8 13.915,9 4.586,10 4.586,11 7.586,12 4.586,13 1,14 4.133,16 11.3,17 165.703,18 14.225,19 18.803,20 0.079,21 0.032,22 1.275,23 1,24 3,25 17.157,26 -0.115,27 1,28 1.518,29 2,30 8.517,31 4.842,32 11.714,33 11.714,34 11.714,35 20.109,36 18.666,38 1.09,39 1.04,40 5.416,41 7.535,43 1,44 7.121,45 7.121,46 34.25,47 4.461,48 6.461,49 4.461,50 25.984,51 163.102,52 1.547,53 2,54 3,56 6,57 4.074,58 0.521,59 15.768,60 3.334,61 3.334,62 5.334,63 3.334,64 3,65 3,66 35.282,67 5.031,68 37.724,69 2,70 5}
{0 CHEMBL560813,4 2,5 4,6 6,8 6.604,9 4.388,10 4.388,11 7.388,12 4.388,14 4.095,16 13.9,18 13.564,19 15.938,20 0.066,21 0.028,22 1.546,24 1,25 16.455,26 -0.178,28 0.757,29 1,30 7.475,31 4.983,32 9.477,33 9.477,34 9.477,35 19.36,36 17.962,38 1.006,39 0.969,44 6.259,45 6.259,46 22.325,47 4.057,48 6.057,49 4.057,50 17.325,51 71.892,52 0.485,53 2,54 6,56 5,57 3.344,58 0.234,59 15.124,60 3.001,61 3.001,62 5.001,63 3.001,64 2,65 2,66 31.632,67 3.513,68 33.845,69 3,70 5.5}
{0 CHEMBL565612,2 1,3 3.206,4 2,5 4,6 8,8 15.814,9 4.623,10 4.623,11 7.623,12 4.623,13 1,14 4.17,16 10.9,17 110.87,18 14.443,19 20.276,20 0.071,21 0.025,22 3.27,23 1,25 17.457,26 -0.097,27 1,28 1.601,29 8,30 7.45,31 6.12,32 12.545,33 12.545,34 12.545,35 20.473,36 18.99,38 0.996,39 1.067,40 5.476,41 7.627,43 1,44 7.159,45 7.159,46 23.387,47 3.836,48 5.836,49 3.836,50 17.659,51 72.841,52 0.457,53 4,54 4,56 6,57 4.284,58 0.477,59 16.011,60 3.397,61 3.397,62 5.397,63 3.397,64 2,65 2,66 35.545,67 4.638,68 38.051,69 5,70 5.5}
{0 CHEMBL572878,3 2.949,4 1,5 2,6 4,8 10.434,9 3.915,10 3.915,11 6.915,12 3.915,13 1,14 4.008,15 32.22,16 13.1,18 13.049,19 15.729,20 0.051,21 0.022,24 2,25 15.712,26 0.097,28 1.042,29 6,30 7.428,31 4.99,32 9.411,33 9.411,34 9.411,35 18.377,36 17.142,38 1.1,39 1.006,40 5.82,41 7.63,42 2,44 6.219,45 6.219,46 58.816,47 4.555,48 6.555,49 4.555,50 36.777,51 54.352,52 0.476,54 2,55 5,56 8,57 4.185,58 0.315,59 14.545,60 2.984,61 2.984,62 4.984,63 2.984,64 3,65 3,66 31.892,67 2.816,68 34.087,69 7,70 5.25}
{0 CHEMBL572881,4 1,5 3,6 3,8 2.328,9 4.097,10 4.097,11 7.097,12 4.097,14 4.048,16 9.8,17 115.361,18 13.308,19 20.548,20 0.081,21 0.029,23 1,24 2,25 16.084,26 0.028,28 0.934,29 6,30 7.429,31 5.852,32 12.923,33 12.923,34 12.923,35 18.86,36 17.554,38 0.78,39 0.993,40 4.844,41 7.018,44 7.414,45 7.414,46 44.521,47 3.691,48 5.691,49 3.691,50 27.538,51 57.557,52 0.465,54 4,56 5,57 3.767,58 0.302,59 14.843,60 3.468,61 3.468,62 5.468,63 3.468,64 2,65 2,66 35.854,67 3.416,68 38.406,69 8,70 5}
{0 CHEMBL573339,4 1,5 2,6 4,8 7.164,9 4.866,10 4.866,11 7.866,12 4.866,14 4.183,16 9.5,17 148.493,18 14.404,19 19.31,20 0.062,21 0.027,22 2.743,23 2,24 1,25 17.517,26 -0.052,28 1.146,29 3,30 6.471,31 3.826,32 11.762,33 11.762,34 11.762,35 20.643,36 19.101,38 1.026,39 1.024,40 4.844,41 7.066,44 6.937,45 6.937,46 16.024,47 3.38,48 5.38,49 3.38,50 12.611,51 33.285,52 0.401,53 4,54 1,55 1,56 4,57 3.86,58 0.228,59 16.016,60 3.319,61 3.319,62 5.319,63 3.319,64 3,65 3,66 34.584,67 4.165,68 37.03,69 2,70 5.6}
{0 CHEMBL574738,4 2,5 5,6 7,8 11.418,9 4.067,10 4.067,11 7.067,12 4.067,14 4.013,16 10.3,18 13.21,19 19.807,20 0.058,21 0.026,24 3,25 15.931,26 0.014,28 1.354,29 2,30 8.513,31 5.842,32 12.281,33 12.281,34 12.281,35 18.663,36 17.394,38 0.997,39 0.975,44 7.254,45 7.254,46 62.867,47 4.472,48 6.472,49 4.472,50 41.64,51 92.131,52 0.866,54 5,55 2,56 7,57 4.255,58 0.608,59 14.737,60 3.388,61 3.388,62 5.388,63 3.388,64 2,65 2,66 35.121,67 3.2,68 37.624,69 5,70 8.137}
{0 CHEMBL576982,4 2,5 5,6 7,8 26.714,9 4.85,10 4.85,11 7.85,12 4.85,14 4.216,15 31.278,16 8.3,17 168.529,18 14.495,19 18.829,20 0.062,21 0.03,22 3.14,23 1,24 2,25 17.56,26 -0.151,27 1,28 1.424,29 3,30 7.431,31 5.424,32 11.699,33 11.699,34 11.699,35 20.652,36 19.125,38 0.855,39 0.996,40 5.82,41 7.941,43 1,44 7.118,45 7.118,46 41.564,47 3.582,48 5.582,49 3.582,50 30.283,51 67.629,52 0.67,53 3,54 5,55 1,56 6,57 4.166,58 0.428,59 16.08,60 3.327,61 3.327,62 5.327,63 3.327,64 2,65 2,66 34.917,67 4.823,68 37.355,69 3,70 5}
{0 CHEMBL583144,4 1,5 4,6 2,8 2.104,9 4.755,10 4.755,11 7.755,12 4.755,14 4.109,15 31.278,16 10,17 76.049,18 14.088,19 19.514,20 0.091,21 0.027,22 1.55,23 2,24 3,25 17.185,26 0.4,28 0.382,29 1,30 7.429,31 4.6,32 12.066,33 12.066,34 12.066,35 20.289,36 18.751,37 12.162,38 1.484,39 1.057,40 4.844,41 7.096,44 7.037,45 7.037,46 14.256,47 3.666,48 5.666,49 3.666,50 12.19,51 33.892,52 0.301,53 2,54 1,56 2,57 0.92,59 15.675,60 3.342,61 3.342,62 5.342,63 3.342,66 34.881,67 2.632,68 37.365,70 6.7}
{0 CHEMBL592030,2 1,3 3.181,4 2,5 6,6 6,8 20.063,9 4.699,10 4.699,11 7.699,12 4.699,13 1,14 4.206,15 31.278,16 13.2,17 330.277,18 14.732,19 18.99,20 0.066,21 0.022,22 6.392,23 3,25 17.775,26 0.054,27 1,28 1.157,29 11,30 5.258,31 1.953,32 11.571,33 11.571,34 11.571,35 20.819,36 19.319,38 1.092,39 1.103,40 5.82,41 7.947,43 1,44 6.885,45 6.885,46 7.5,47 3.315,48 5.315,49 3.315,50 9.487,51 26.136,52 0.2,53 6,54 4,55 4,56 7,57 4.243,58 0.361,59 16.309,60 3.301,61 3.301,62 5.301,63 3.301,64 3,65 3,66 34.712,67 5.922,68 37.13,69 3,70 6.2}
{0 CHEMBL601719,4 1,5 4,6 2,8 29.059,9 4.165,10 4.165,11 7.165,12 4.165,14 4.05,16 9.6,18 13.581,19 18.081,20 0.09,21 0.026,24 4,25 16.392,26 -0.124,27 1,28 1.039,29 5,30 8.201,31 5.882,32 10.939,33 10.939,34 10.939,35 19.203,36 17.846,37 12.314,38 0.946,39 0.991,40 4.595,41 6.605,42 3,43 1,44 6.78,45 6.78,46 28.517,47 3.623,48 5.623,49 3.623,50 23.489,51 68.091,52 0.761,54 1,55 2,56 5,57 4.129,58 0.396,59 15.081,60 3.167,61 3.167,62 5.167,63 3.167,64 2,65 2,66 33.727,67 3.154,68 36.084,69 2,70 5}
{0 CHEMBL608154,2 1,3 3.288,4 1,5 5,6 1,8 4.288,9 4.884,10 4.884,11 7.884,12 4.884,13 1,14 4.216,16 9.8,17 156.923,18 14.5,19 19.555,20 0.085,21 0.032,22 3.419,23 2,24 3,25 17.604,26 0.04,28 1.198,29 2,30 7.429,31 5.797,32 11.883,33 11.883,34 11.883,35 20.726,36 19.184,37 6.408,38 0.816,39 1.03,40 4.844,41 7.066,44 6.976,45 6.976,46 14.608,47 3.634,48 5.634,49 3.634,50 12.855,51 35.698,52 0.43,53 4,54 5,55 1,56 4,57 3.916,58 0.334,59 16.102,60 3.339,61 3.339,62 5.339,63 3.339,64 2,65 2,66 34.77,67 4.267,68 37.22,69 3,70 5}
{0 CHEMBL7064,3 3.03,4 2,5 5,6 7,8 2.757,9 4.713,10 4.713,11 7.713,12 4.713,13 1,14 4.178,16 8,17 66.464,18 14.085,19 20.389,20 0.074,21 0.027,22 1.788,23 2,25 17.148,26 -0.074,28 0.455,29 8,30 7.427,31 5.351,32 12.389,33 12.389,34 12.389,35 20.219,36 18.705,38 1.256,39 1.131,40 4.727,41 6.88,44 7.122,45 7.122,46 0.417,47 3.684,48 5.684,49 3.684,50 1.291,51 21.969,52 0.117,53 2,54 4,56 2,57 1.401,59 15.672,60 3.392,61 3.392,62 5.392,63 3.392,64 1,65 1,66 35.26,67 3.448,68 37.767,69 2,70 6.7}
{0 CHEMBL86771,4 2,5 6,6 6,9 4.434,10 4.434,11 7.434,12 4.434,14 4.08,16 7.1,18 13.611,19 20.427,20 0.089,21 0.032,24 2,25 16.541,26 -0.095,28 0.708,29 6,30 7.435,31 5.339,32 12.427,33 12.427,34 12.427,35 19.48,36 18.043,38 1.371,39 1.055,44 7.154,45 7.154,46 7.875,47 3.811,48 5.811,49 3.811,50 8.907,51 62.602,52 0.274,54 2,56 2,57 1.989,59 15.147,60 3.393,61 3.393,62 5.393,63 3.393,66 35.304,67 2.676,68 37.813,69 4,70 5.481}
{0 CHEMBL91829,2 2,4 2,5 4,6 8,8 27.83,9 4.714,10 4.714,11 7.714,12 4.714,14 4.209,16 6.3,17 139.797,18 14.633,19 20.497,20 0.064,21 0.023,22 3.982,23 2,25 17.694,26 0.016,27 2,28 1.779,29 12,30 7.45,31 6.201,32 12.66,33 12.66,34 12.66,35 20.757,36 19.243,38 0.947,39 1.04,40 5.938,41 8.138,42 2,43 2,44 7.187,45 7.187,46 21.51,47 3.839,48 5.839,49 3.839,50 21.829,51 66.1,52 0.389,53 4,54 2,56 4,57 4.566,58 0.611,59 16.21,60 3.429,61 3.429,62 5.429,63 3.429,66 35.772,67 4.447,68 38.282,69 2,70 6.854}
{0 CHEMBL939,4 2,5 7,6 5,8 17.288,9 4.513,10 4.513,11 7.513,12 4.513,14 4.079,16 7.3,18 13.825,19 17.471,20 0.068,21 0.018,22 1.454,24 5,25 16.777,26 0.031,28 0.736,29 5,30 8.201,31 5.468,32 10.534,33 10.534,34 10.534,35 19.74,36 18.297,37 5.895,38 0.942,39 0.977,44 6.586,45 6.586,46 41.089,47 3.319,48 5.319,49 3.319,50 28.856,51 50.112,52 0.668,53 2,54 2,56 4,57 4.035,58 0.32,59 15.386,60 3.135,61 3.135,62 5.135,63 3.135,64 2,65 2,66 33.076,67 3.35,68 35.404,69 3,70 5.5}
{0 CHEMBL941,4 2,5 5,6 7,8 1.899,9 3.96,10 3.96,11 6.96,12 3.96,14 4.028,16 10.3,18 13.281,19 15.558,20 0.063,21 0.018,24 2,25 16,26 0.03,28 0.938,29 5,30 7.429,31 5.93,32 9.244,33 9.244,34 9.244,35 18.715,36 17.479,38 1.059,39 1.005,44 6.185,45 6.185,46 48.345,47 3.573,48 5.573,49 3.573,50 30.255,51 57.714,52 0.379,54 6,55 1,56 7,57 4.026,58 0.358,59 14.844,60 2.959,61 2.959,62 4.959,63 2.959,64 3,65 3,66 31.904,67 4.413,68 34.085,69 5,70 5.25}
{0 CHEMBL95692,4 1,5 2,6 4,8 22.103,9 4.34,10 4.34,11 7.34,12 4.34,14 4.085,16 10.9,18 13.46,19 19.298,20 0.067,21 0.021,24 1,25 16.336,26 -0.061,28 0.924,29 6,30 8.201,31 5.351,32 11.923,33 11.923,34 11.923,35 19.222,36 17.828,38 1.11,39 0.998,40 4.727,41 6.862,42 3,44 6.988,45 6.988,46 22.813,47 3.333,48 5.333,49 3.333,50 18.59,51 40.345,52 0.426,55 1,56 5,57 3.89,58 0.229,59 15.002,60 3.285,61 3.285,62 5.285,63 3.285,64 3,65 3,66 34.716,67 2.887,68 37.187,69 2,70 5.5}