@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5608

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL101311,CHEMBL103667,CHEMBL105442,CHEMBL1081312,CHEMBL1084546,CHEMBL1090356,CHEMBL1090360,CHEMBL116070,CHEMBL1164180,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1233887,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1375640,CHEMBL1419458,CHEMBL1421,CHEMBL1421720,CHEMBL14762,CHEMBL1516890,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1624529,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682558,CHEMBL1721885,CHEMBL17370,CHEMBL1789941,CHEMBL180022,CHEMBL1825138,CHEMBL184847,CHEMBL185569,CHEMBL1870106,CHEMBL1879463,CHEMBL189963,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1949855,CHEMBL1958401,CHEMBL196363,CHEMBL1964290,CHEMBL1964382,CHEMBL1964441,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964804,CHEMBL1964902,CHEMBL1964937,CHEMBL1964948,CHEMBL1965033,CHEMBL1965131,CHEMBL1965169,CHEMBL1965170,CHEMBL1965387,CHEMBL1965423,CHEMBL1965507,CHEMBL1965589,CHEMBL1965660,CHEMBL1965836,CHEMBL1965845,CHEMBL1966175,CHEMBL1966279,CHEMBL1966343,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1967094,CHEMBL1967302,CHEMBL1967336,CHEMBL1967513,CHEMBL1967531,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967612,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1967992,CHEMBL1967998,CHEMBL1968127,CHEMBL1968151,CHEMBL1968380,CHEMBL1968590,CHEMBL1968606,CHEMBL1968705,CHEMBL1968791,CHEMBL1968868,CHEMBL1969042,CHEMBL1969049,CHEMBL1969126,CHEMBL1969151,CHEMBL1969301,CHEMBL1969372,CHEMBL1969502,CHEMBL1969506,CHEMBL1969537,CHEMBL1969561,CHEMBL1969588,CHEMBL1969664,CHEMBL1969735,CHEMBL1969843,CHEMBL1969879,CHEMBL1969942,CHEMBL1970104,CHEMBL1970142,CHEMBL1970203,CHEMBL1970217,CHEMBL1970290,CHEMBL1970314,CHEMBL1970340,CHEMBL1970352,CHEMBL1970522,CHEMBL1970709,CHEMBL1970903,CHEMBL1970913,CHEMBL1971021,CHEMBL1971141,CHEMBL1971149,CHEMBL1971186,CHEMBL1971223,CHEMBL1971227,CHEMBL1971245,CHEMBL1971289,CHEMBL1971606,CHEMBL1971943,CHEMBL1972119,CHEMBL1972125,CHEMBL1972142,CHEMBL1972158,CHEMBL1972220,CHEMBL1972221,CHEMBL1972355,CHEMBL1972462,CHEMBL1972568,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972849,CHEMBL1972934,CHEMBL1972937,CHEMBL1973013,CHEMBL1973016,CHEMBL1973098,CHEMBL1973138,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973359,CHEMBL1973363,CHEMBL1973483,CHEMBL1973516,CHEMBL1973540,CHEMBL1973720,CHEMBL1973793,CHEMBL1973808,CHEMBL1973860,CHEMBL1973868,CHEMBL1973893,CHEMBL1973937,CHEMBL1973961,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974480,CHEMBL1974664,CHEMBL1974702,CHEMBL1974803,CHEMBL1974870,CHEMBL1974875,CHEMBL1974935,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975212,CHEMBL1975233,CHEMBL1975256,CHEMBL1975490,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1975900,CHEMBL1975903,CHEMBL1975923,CHEMBL1975927,CHEMBL1976040,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976196,CHEMBL1976240,CHEMBL1976376,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1977134,CHEMBL1977135,CHEMBL1977138,CHEMBL1977148,CHEMBL1977346,CHEMBL1977634,CHEMBL1977681,CHEMBL1977749,CHEMBL1977814,CHEMBL1978014,CHEMBL1978099,CHEMBL1978166,CHEMBL1978167,CHEMBL1978195,CHEMBL1978200,CHEMBL1978271,CHEMBL1978371,CHEMBL1978448,CHEMBL1978562,CHEMBL1978567,CHEMBL1979057,CHEMBL1979176,CHEMBL1979252,CHEMBL1979357,CHEMBL1979516,CHEMBL1979690,CHEMBL1979773,CHEMBL1979883,CHEMBL1980142,CHEMBL1980144,CHEMBL1980167,CHEMBL1980246,CHEMBL1980297,CHEMBL1980329,CHEMBL1980376,CHEMBL1980391,CHEMBL1980407,CHEMBL1980489,CHEMBL1980540,CHEMBL1980704,CHEMBL1980763,CHEMBL1980896,CHEMBL1980995,CHEMBL1981047,CHEMBL1981079,CHEMBL1981133,CHEMBL1981215,CHEMBL1981410,CHEMBL1981492,CHEMBL1981720,CHEMBL1981725,CHEMBL1981744,CHEMBL1981782,CHEMBL1981792,CHEMBL1982122,CHEMBL1982361,CHEMBL1982383,CHEMBL1982413,CHEMBL1982466,CHEMBL1982506,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982700,CHEMBL1982711,CHEMBL1982866,CHEMBL1982874,CHEMBL1982924,CHEMBL1982957,CHEMBL1982992,CHEMBL1983070,CHEMBL1983111,CHEMBL1983268,CHEMBL1983309,CHEMBL1983348,CHEMBL1983393,CHEMBL1983534,CHEMBL1983573,CHEMBL1983575,CHEMBL1983630,CHEMBL1983640,CHEMBL1983715,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1983980,CHEMBL1984038,CHEMBL1984162,CHEMBL1984191,CHEMBL1984236,CHEMBL1984296,CHEMBL1984367,CHEMBL1984500,CHEMBL1984586,CHEMBL1984633,CHEMBL1984686,CHEMBL1984700,CHEMBL1984760,CHEMBL1984842,CHEMBL1984847,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985206,CHEMBL1985367,CHEMBL1985406,CHEMBL1985681,CHEMBL1986139,CHEMBL1986143,CHEMBL1986177,CHEMBL1986186,CHEMBL1986263,CHEMBL1986265,CHEMBL1986499,CHEMBL1986530,CHEMBL1986590,CHEMBL1986597,CHEMBL1986603,CHEMBL1986756,CHEMBL1986781,CHEMBL1986869,CHEMBL1986899,CHEMBL1986943,CHEMBL1986970,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987359,CHEMBL1987430,CHEMBL1987535,CHEMBL1987679,CHEMBL1987815,CHEMBL1987910,CHEMBL1987998,CHEMBL1988075,CHEMBL1988141,CHEMBL1988153,CHEMBL1988163,CHEMBL1988173,CHEMBL1988300,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988581,CHEMBL1988594,CHEMBL1988608,CHEMBL1988692,CHEMBL1988717,CHEMBL1988805,CHEMBL1988838,CHEMBL1989029,CHEMBL1989043,CHEMBL1989259,CHEMBL1989267,CHEMBL1989471,CHEMBL1989474,CHEMBL1989646,CHEMBL1989708,CHEMBL1989834,CHEMBL1990223,CHEMBL1990254,CHEMBL1990288,CHEMBL1990482,CHEMBL1990496,CHEMBL1990590,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1991063,CHEMBL1991078,CHEMBL1991138,CHEMBL1991188,CHEMBL1991285,CHEMBL1991395,CHEMBL1991410,CHEMBL1991429,CHEMBL1991674,CHEMBL1991678,CHEMBL1991725,CHEMBL1991734,CHEMBL1991782,CHEMBL1991867,CHEMBL1992042,CHEMBL1992073,CHEMBL1992125,CHEMBL1992306,CHEMBL1992323,CHEMBL1992342,CHEMBL1992371,CHEMBL1992536,CHEMBL1992581,CHEMBL1992634,CHEMBL1992937,CHEMBL1993243,CHEMBL1993335,CHEMBL1993374,CHEMBL1993413,CHEMBL1993424,CHEMBL1993548,CHEMBL1993584,CHEMBL1993661,CHEMBL1993781,CHEMBL1993877,CHEMBL1993904,CHEMBL1993941,CHEMBL1994040,CHEMBL1994074,CHEMBL1994159,CHEMBL1994308,CHEMBL1994318,CHEMBL1994526,CHEMBL1994538,CHEMBL1994555,CHEMBL1994724,CHEMBL1994808,CHEMBL1994830,CHEMBL1994864,CHEMBL1994938,CHEMBL1994977,CHEMBL1995172,CHEMBL1995211,CHEMBL1995740,CHEMBL1995765,CHEMBL1995811,CHEMBL1995813,CHEMBL1995832,CHEMBL1996048,CHEMBL1996066,CHEMBL1996111,CHEMBL1996176,CHEMBL1996234,CHEMBL1996345,CHEMBL1996500,CHEMBL1996510,CHEMBL1996576,CHEMBL1996587,CHEMBL1996646,CHEMBL1996649,CHEMBL1996702,CHEMBL1996791,CHEMBL1996817,CHEMBL1996831,CHEMBL1996931,CHEMBL1996979,CHEMBL1997007,CHEMBL1997023,CHEMBL1997041,CHEMBL1997193,CHEMBL1997197,CHEMBL1997275,CHEMBL1997335,CHEMBL1997340,CHEMBL1997534,CHEMBL1997597,CHEMBL1997611,CHEMBL1997617,CHEMBL1997764,CHEMBL1997846,CHEMBL1997872,CHEMBL1997892,CHEMBL1998110,CHEMBL1998112,CHEMBL1998121,CHEMBL1998159,CHEMBL1998193,CHEMBL1998253,CHEMBL1998414,CHEMBL1998470,CHEMBL1998477,CHEMBL1998545,CHEMBL1998585,CHEMBL1998611,CHEMBL1998680,CHEMBL1998829,CHEMBL1999112,CHEMBL1999120,CHEMBL1999321,CHEMBL1999414,CHEMBL1999428,CHEMBL1999484,CHEMBL1999506,CHEMBL1999590,CHEMBL1999714,CHEMBL1999718,CHEMBL1999811,CHEMBL1999931,CHEMBL2000029,CHEMBL2000071,CHEMBL2000114,CHEMBL2000354,CHEMBL2000393,CHEMBL2000408,CHEMBL2000429,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000724,CHEMBL2000801,CHEMBL2000832,CHEMBL2000879,CHEMBL2000894,CHEMBL2001019,CHEMBL2001149,CHEMBL2001224,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001398,CHEMBL2001485,CHEMBL2001539,CHEMBL2001547,CHEMBL2001584,CHEMBL2001613,CHEMBL2001641,CHEMBL2001751,CHEMBL2001920,CHEMBL2001923,CHEMBL2001957,CHEMBL2001987,CHEMBL2002099,CHEMBL2002165,CHEMBL2002202,CHEMBL2002479,CHEMBL2002586,CHEMBL2002599,CHEMBL2002649,CHEMBL2002690,CHEMBL2002702,CHEMBL2002723,CHEMBL2002726,CHEMBL2002799,CHEMBL2002992,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003500,CHEMBL2003514,CHEMBL2003638,CHEMBL2003689,CHEMBL2003817,CHEMBL2004025,CHEMBL2004118,CHEMBL2004159,CHEMBL2004290,CHEMBL2004311,CHEMBL2004419,CHEMBL2004438,CHEMBL2004447,CHEMBL2004637,CHEMBL2004716,CHEMBL2004771,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2004934,CHEMBL2005186,CHEMBL2005375,CHEMBL2005449,CHEMBL2005475,CHEMBL2005478,CHEMBL2005528,CHEMBL2005699,CHEMBL2005792,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006188,CHEMBL2006237,CHEMBL2006263,CHEMBL2006276,CHEMBL2006299,CHEMBL2006439,CHEMBL2006450,CHEMBL2006564,CHEMBL2006674,CHEMBL2006715,CHEMBL2006765,CHEMBL2006785,CHEMBL2007002,CHEMBL2007064,CHEMBL2007097,CHEMBL2007124,CHEMBL2007266,CHEMBL2007296,CHEMBL2007375,CHEMBL2007421,CHEMBL2007479,CHEMBL2007559,CHEMBL2007574,CHEMBL2007592,CHEMBL202721,CHEMBL2037193,CHEMBL2037208,CHEMBL2037210,CHEMBL2037216,CHEMBL2037224,CHEMBL207400,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL21156,CHEMBL215152,CHEMBL2171124,CHEMBL2178804,CHEMBL220057,CHEMBL220241,CHEMBL221959,CHEMBL223360,CHEMBL225519,CHEMBL226403,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL234085,CHEMBL235157,CHEMBL242865,CHEMBL243088,CHEMBL244378,CHEMBL246970,CHEMBL24828,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL259084,CHEMBL259922,CHEMBL260135,CHEMBL261849,CHEMBL271381,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL340384,CHEMBL340921,CHEMBL360847,CHEMBL363648,CHEMBL371206,CHEMBL377300,CHEMBL377383,CHEMBL378627,CHEMBL379218,CHEMBL379975,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL387971,CHEMBL392642,CHEMBL394619,CHEMBL396523,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL406845,CHEMBL415049,CHEMBL41783,CHEMBL422897,CHEMBL428690,CHEMBL440084,CHEMBL445813,CHEMBL450786,CHEMBL458997,CHEMBL459850,CHEMBL461876,CHEMBL464552,CHEMBL468280,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL482538,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL49120,CHEMBL491473,CHEMBL491758,CHEMBL494089,CHEMBL497151,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL513909,CHEMBL519697,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL526133,CHEMBL535,CHEMBL539474,CHEMBL546797,CHEMBL550418,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL565612,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL583144,CHEMBL583187,CHEMBL592030,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL7064,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute CATS2D_08_DP numeric
@attribute CATS2D_05_DL numeric
@attribute Eig10_AEA.dm. numeric
@attribute P_VSA_MR_6 numeric
@attribute CATS2D_04_DL numeric
@attribute Eig06_AEA.dm. numeric
@attribute SsNH2 numeric
@attribute BID numeric
@attribute Dz numeric
@attribute HDcpx numeric
@attribute IDM numeric
@attribute SMTIV numeric
@attribute X0sol numeric
@attribute GMTIV numeric
@attribute SpMax7_Bh.m. numeric
@attribute Eig06_EA.ed. numeric
@attribute SM15_AEA.dm. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute SpMax3_Bh.m. numeric
@attribute Chi1_EA.ri. numeric
@attribute S0K numeric
@attribute X0 numeric
@attribute X1sol numeric
@attribute XMOD numeric
@attribute SpMax5_Bh.m. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig11_EA.bo. numeric
@attribute SpMax4_Bh.m. numeric
@attribute Eig09_EA.ri. numeric
@attribute SpAD_AEA.dm. numeric
@attribute Eta_betaS numeric
@attribute Eig07_AEA.dm. numeric
@attribute ZM2Mad numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig11_EA numeric
@attribute SM05_AEA.dm. numeric
@attribute SpMax7_Bh.s. numeric
@attribute X0v numeric
@attribute CSI numeric
@attribute X2sol numeric
@attribute Chi0_EA.bo. numeric
@attribute ON1 numeric
@attribute MDDD numeric
@attribute ECC numeric
@attribute Eig05_EA.ed. numeric
@attribute SM14_AEA.dm. numeric
@attribute SpMax5_Bh.p. numeric
@attribute CATS2D_05_PL numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute SM14_AEA.bo. numeric
@attribute Eig03_EA.ed. numeric
@attribute SM12_AEA.dm. numeric
@attribute ZM1MulPer numeric
@attribute SpAD_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute ATSC8m numeric
@attribute IDET numeric
@attribute IDMT numeric
@attribute LPRS numeric
@attribute SMTI numeric
@attribute UNIP numeric
@attribute Xu numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute Chi0_EA.ri. numeric
@attribute SpMax6_Bh.m. numeric
@attribute pXC50 numeric

@data
{2 2,3 1,4 124.938,5 4,6 2.432,8 3.341,9 58,10 1.706,11 8.228,12 14750,13 18.221,14 27336,15 2.687,16 4.948,17 4.948,18 1,19 5.879,20 3.785,21 15.642,22 116.382,23 18.803,24 13.464,25 88.885,26 3.463,27 4.69,28 0.983,29 1.5,30 3.708,31 1,32 48.057,33 17,34 1.854,35 204.305,36 1.172,37 1,38 1,39 3.792,40 15.334,41 587,42 12.132,43 15.561,44 5.889,45 25.295,46 271,47 6.071,48 6.071,49 3.301,51 1.805,52 2.55,53 1.805,54 8.043,55 8.043,56 455.817,57 46.538,58 3.558,59 21.198,60 1215.67,61 15393.9,62 132.502,63 8183,64 97,65 25.663,66 2.229,67 2.229,68 18.876,69 2.853,70 5.3}
{0 CHEMBL101253,2 3,3 1,4 111.679,5 2,6 1.907,8 3.267,9 52.333,10 1.681,11 7.983,12 12027,13 17.562,14 21561,15 2.709,16 4.855,17 4.855,18 1,19 5.423,20 3.787,21 14.462,22 108.096,23 17.062,24 12.582,25 78.749,26 3.292,27 4.658,28 0.983,29 1.449,30 3.412,31 1,32 41.973,33 15.75,34 1.516,35 171.363,36 1.076,37 1,38 1,39 3.775,40 14.111,41 572,42 11.219,43 14.555,44 5.5,45 23.142,46 260,47 5.669,48 5.669,49 3.077,51 1.831,52 2.591,53 1.831,54 7.166,55 7.166,56 388.218,57 41.88,58 3.508,59 16.149,60 1045.76,61 12517.9,62 120.213,63 7000,64 89,65 24.261,66 2.007,67 2.007,68 17.698,69 3.047,70 5.3}
{0 CHEMBL101311,2 2,3 1.238,4 112.689,5 3,6 2.498,8 3.439,9 65.167,10 1.722,11 8.471,12 23138,13 22.51,14 41329,15 3.049,16 5.686,17 5.686,18 1.167,19 5.443,20 3.743,21 17.215,22 139.207,23 21.51,24 14.962,25 96.607,26 3.58,27 4.919,28 1,29 1.5,30 3.629,31 1.301,32 47.768,33 20,34 2.222,35 205.1,36 1.642,37 1,38 1,39 4.272,40 18.153,41 884,42 14.004,43 17.549,44 6.611,45 38.142,46 423,47 6.356,48 6.356,49 3.13,51 2.077,52 2.501,53 2.077,54 7.249,55 7.249,56 513.683,57 47.99,58 3.511,59 23.702,60 1733.18,61 26063.9,62 159.05,63 12898,64 151,65 29.209,66 2.227,67 2.227,68 20.591,69 3.222,70 5.5}
{0 CHEMBL103667,2 9,3 2.025,4 127.603,5 8,6 2.607,8 3.693,9 83.5,10 1.794,11 9.269,12 36729,13 27.407,14 58050,15 3.321,16 6.89,17 6.89,18 1.571,19 6.493,20 3.743,21 22.217,22 193.376,23 27.407,24 18.775,25 117.51,26 3.496,27 5.339,28 1.286,29 1.71,30 3.685,31 1.783,32 66.112,33 25.25,34 2.558,35 263.768,36 2.106,37 1.327,38 1.327,39 4.288,40 23.16,41 1298,42 17.699,43 23.423,44 8.389,45 51.546,46 598,47 6.968,48 6.968,49 3.417,51 2.387,52 2.819,53 2.387,54 10.131,55 10.131,56 532.378,57 65.558,58 3.921,59 47.773,60 3002.02,61 52076,62 220.011,63 24443,64 207,65 35.501,66 2.505,67 2.505,68 26.724,69 3.392,70 6.411}
{0 CHEMBL105442,2 1,3 1.153,4 84.187,5 4,6 2.623,8 3.267,9 55.733,10 1.685,11 8.004,12 13255,13 18.234,14 26239,15 2.945,16 5.201,17 5.201,18 1.013,19 5.862,20 3.88,21 14.337,22 114.096,23 17.974,24 12.286,25 92.629,26 3.361,27 4.887,28 0.158,29 0.193,30 3.768,31 0.999,32 44.575,33 15.75,34 2.437,35 229.623,36 1.85,37 0.174,38 0.174,39 4.32,40 15.827,41 524,42 11.547,43 14.722,44 5.472,45 22.128,46 247,47 5.926,48 5.926,49 3.089,51 1.829,52 2.366,53 1.829,54 7.781,55 7.781,56 536.301,57 41.981,58 3.652,59 22.075,60 1026.7,61 12430.5,62 119.967,63 6676,64 83,65 24.228,66 2.138,67 2.138,68 17.054,69 3.249,70 5}
{0 CHEMBL1081312,1 1,2 1,3 0.973,4 71.557,5 2,6 1.552,7 6.168,8 3.231,9 51.5,10 1.676,11 7.902,12 8972,13 16.096,14 14821,15 2.746,16 4.384,17 4.384,18 0.702,19 6.145,20 3.667,21 14.457,22 106.039,23 16.096,24 11.81,25 73.909,26 3.135,27 4.519,28 0.666,29 0.792,30 3.35,31 1.08,32 43.039,33 17,34 1.533,35 184.793,36 1.154,37 0.683,38 0.683,39 3.866,40 13.106,41 437,42 10.782,43 14.548,44 5.111,45 17.167,46 191,47 5.69,48 5.69,49 2.938,50 1,51 1.552,52 2.322,53 1.552,54 8.961,55 8.961,56 351.69,57 43.439,58 3.644,59 21.629,60 868.043,61 9735.16,62 110.695,63 5770,64 71,65 22.753,66 1.996,67 1.996,68 17.155,69 2.869,70 5.5}
{0 CHEMBL1084546,3 1.792,4 88.917,5 3,6 2.812,8 3.588,9 81,10 1.77,11 8.975,12 33557,13 23.13,14 67899,15 3.118,16 7.052,17 7.052,18 1.629,19 6.259,20 3.879,21 20.019,22 172.77,23 25.38,24 16.097,25 114.441,26 3.431,27 5.416,28 1.422,29 2.007,30 3.787,31 1.542,32 59.497,33 24,34 2.512,35 292.737,36 1.978,37 1.483,38 1.483,39 4.997,40 19.328,41 939,42 16.279,43 19.762,44 7.278,45 36.485,46 441,47 8.008,48 8.008,49 3.276,51 2.327,52 2.92,53 2.327,54 9.524,55 9.524,56 732.386,57 59.703,58 3.993,59 22.524,60 2265.17,61 35659.4,62 189.229,63 16985,64 156,65 32.13,66 2.638,67 2.638,68 23.106,69 3.277,70 6.1}
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{0 CHEMBL1516890,2 1,3 0.828,4 92.851,5 1,6 1.782,8 3.105,9 44.5,10 1.635,11 7.499,12 6630,13 14.397,14 11147,15 2.569,16 4.847,17 4.847,18 0.527,19 5.557,20 3.418,21 12.154,22 88.239,23 14.397,24 10.237,25 63.522,26 3.005,27 4.716,28 -0.075,29 -0.103,30 3.312,31 0.979,32 38.125,33 14,34 1.502,35 153.015,36 1.064,37 -0.077,38 -0.077,39 3.754,40 11.499,41 372,42 9.406,43 12.241,44 4.5,45 12.327,46 166,47 5.112,48 5.112,49 2.941,51 1.669,52 2.183,53 1.669,54 7.05,55 7.05,56 315.201,57 38.107,58 3.223,59 11.775,60 644.947,61 6637.01,62 92.787,63 4069,64 61,65 20.324,66 1.864,67 1.864,68 14.617,69 2.724,70 7.6}
{0 CHEMBL1614701,2 1,3 1.579,4 77.526,6 2.668,8 3.341,9 60.583,10 1.709,11 8.245,12 15494,13 20.181,14 31134,15 3.16,16 5.049,17 5.049,18 1.217,19 6.047,20 3.944,21 15.422,22 128.382,23 19.552,24 13.356,25 94.181,26 3.38,27 4.883,28 0.587,29 0.724,30 3.569,31 1.223,32 47.308,33 18,34 2.206,35 225.954,36 1.772,37 0.664,38 0.664,39 4.366,40 16.435,41 553,42 12.426,43 15.746,44 6.028,45 23.923,46 265,47 5.856,48 5.856,49 3.012,51 1.796,52 2.263,53 1.796,54 8.648,55 8.648,56 566.313,57 46.09,58 3.688,59 26.345,60 1184.36,61 14907.7,62 131.576,63 7581,64 89,65 25.445,66 2.101,67 2.101,68 18.585,69 3.238,70 5}
{0 CHEMBL1614705,2 4,3 1.403,4 64.359,5 2,6 2.287,8 3.409,9 64.333,10 1.726,11 8.442,12 17925,13 20.01,14 34431,15 2.866,16 5.243,17 5.243,18 1.096,19 6.022,20 3.73,21 16.542,22 136.881,23 20.38,24 13.958,25 92.242,26 3.371,27 4.846,28 0.939,29 1.257,30 3.611,31 1.241,32 49.634,33 19.25,34 2.174,35 210.98,36 1.425,37 1,38 1,39 4.245,40 16.233,41 661,42 12.369,43 17.602,44 6.444,45 28.145,46 308,47 6.381,48 6.381,49 3.2,51 1.91,52 2.419,53 1.91,54 8.534,55 8.534,56 522.075,57 50.33,58 3.714,59 31.558,60 1418.97,61 18614.6,62 145.011,63 9519,64 101,65 27.074,66 2.248,67 2.248,68 20.28,69 3.236,70 5.9}
{0 CHEMBL162,2 2,3 1.901,4 125.034,5 3,6 2.678,8 3.592,9 75,10 1.784,11 9.056,12 19467,13 23.637,14 32464,15 3.134,16 8.42,17 8.42,18 1.705,19 6.984,20 3.781,21 21.485,22 177.525,23 23.637,24 17.08,25 106.923,26 3.401,27 6.05,28 1.418,29 1.997,30 3.658,31 1.703,32 68.73,33 24.75,34 2.532,35 312.869,36 2.011,37 1.435,38 1.435,39 4.253,40 19.884,41 655,42 16.322,43 21.802,44 7.347,45 25.211,46 282,47 8.784,48 8.784,49 3.305,51 2.389,52 3.043,53 2.389,54 11.874,55 11.874,56 517.065,57 71.374,58 4.144,59 47.876,60 1821.68,61 24785.1,62 176.229,63 12834,64 112,65 29.807,66 2.505,67 2.505,68 25.037,69 3.272,70 7.77}
{0 CHEMBL1624529,2 1,3 1.602,4 97.267,5 1,6 2.885,7 5.92,8 3.442,9 69.5,10 1.737,11 8.557,12 19356,13 18.706,14 38791,15 2.883,16 6.737,17 6.737,18 1.416,19 6.434,20 3.808,21 17.455,22 143.207,23 21.317,24 13.042,25 91.681,26 3.136,27 5.422,28 1.018,29 1.397,30 3.563,31 1.393,32 56.022,33 20.75,34 2.582,35 243.657,36 2.028,37 1.08,38 1.08,39 5.032,40 15.35,41 665,42 12.384,43 17.803,44 6.25,45 26.596,46 301,47 8.117,48 8.117,49 2.917,51 2.253,52 2.872,53 2.253,54 9.862,55 9.862,56 616.316,57 56.369,58 3.863,59 21.116,60 1475.55,61 19389.5,62 149.877,63 10109,64 103,65 27.505,66 2.453,67 2.453,68 20.127,69 3.049,70 5.9}
{0 CHEMBL1682540,3 0.347,4 63.903,5 1,6 1.532,8 2.962,9 38.5,10 1.585,11 7.024,12 4824,13 11.949,14 8503,15 2.28,16 3.896,17 3.896,18 -0.589,19 5.833,20 3.382,21 10.897,22 75.059,23 11.949,24 8.899,25 55.785,26 2.804,27 4.254,28 -0.574,29 -0.815,30 3.074,31 0.389,32 32.07,33 12.75,34 1.253,35 133.769,36 0.402,37 -0.589,38 -0.589,39 3.243,40 9.408,41 299,42 8.06,43 10.46,44 3.833,45 10.617,46 130,47 4.312,48 4.312,49 2.777,51 1.532,52 2.298,53 1.532,54 7.976,55 7.976,56 283.847,57 32,58 3.4,59 5.727,60 459.265,61 4207.15,62 75.274,63 2870,64 49,65 17.872,66 1.534,67 1.534,68 12.957,69 2.727,70 5.9}
{0 CHEMBL1682545,2 2,3 0.703,4 94.118,5 3,6 1.533,8 3.103,9 44,10 1.626,11 7.449,12 7767,13 14.424,14 13564,15 2.687,16 3.745,17 3.745,18 0.397,19 5.542,20 3.795,21 12.549,22 88.239,23 14.071,24 10.836,25 68.605,26 2.888,27 4.194,28 0.377,29 0.588,30 3.284,31 0.979,32 35.718,33 13.5,34 1.32,35 160.395,36 1,37 0.394,38 0.394,39 3.674,40 11.893,41 446,42 9.78,43 12.321,44 4.556,45 16.653,46 197,47 4.277,48 4.277,49 2.848,51 1.495,52 2.118,53 1.495,54 7.53,55 7.53,56 322.257,57 35.705,58 3.504,59 7.291,60 708.442,61 7553.57,62 95.579,63 4697,64 71,65 21.045,66 1.534,67 1.534,68 15.118,69 2.829,70 5.9}
{0 CHEMBL1682546,2 3,3 0.776,4 94.547,5 4,6 1.534,8 3.146,9 46,10 1.638,11 7.575,12 8961,13 15.131,14 15407,15 2.687,16 3.811,17 3.811,18 0.642,19 5.398,20 3.824,21 13.025,22 91.353,23 14.778,24 11.336,25 71.651,26 3.094,27 4.213,28 0.468,29 0.65,30 3.29,31 0.999,32 37.32,33 14,34 1.421,35 164.228,36 1,37 0.519,38 0.519,39 3.674,40 12.6,41 505,42 10.122,43 13.028,44 4.806,45 18.942,46 224,47 4.291,48 4.291,49 3.037,51 1.533,52 2.12,53 1.533,54 7.099,55 7.099,56 326.119,57 37.213,58 3.517,59 10.856,60 807.332,61 9097.63,62 102.821,63 5521,64 81,65 22.127,66 1.538,67 1.538,68 15.824,69 2.835,70 5.9}
{0 CHEMBL1682552,2 2,3 1.052,4 54.855,5 5,6 1.548,8 3.269,9 53,10 1.687,11 8.019,12 9971,13 16.64,14 15881,15 2.866,16 4.366,17 4.366,18 1,19 5.916,20 3.704,21 14.975,22 112.096,23 16.64,24 12.382,25 77.055,26 3.131,27 4.513,28 0.998,29 1,30 3.391,31 1.207,32 43.873,33 17.25,34 1.534,35 182.627,36 1.266,37 1,38 1,39 3.757,40 13.943,41 488,42 11.036,43 15.423,44 5.389,45 19.373,46 214,47 5.639,48 5.639,49 3.058,51 1.548,52 2.32,53 1.548,54 8.164,55 8.164,56 337.58,57 44.065,58 3.473,59 25.212,60 971.075,61 11459.3,62 117.972,63 6653,64 78,65 23.787,66 1.877,67 1.877,68 17.989,69 2.949,70 5.9}
{0 CHEMBL1682553,2 2,3 0.781,4 54.855,5 4,6 1.548,8 3.149,9 47,10 1.652,11 7.647,12 7223,13 15.104,14 11763,15 2.743,16 4.365,17 4.365,18 0.399,19 5.916,20 3.479,21 12.988,22 96.107,23 15.104,24 10.72,25 67.084,26 3.071,27 4.509,28 0.384,29 0.595,30 3.355,31 0.998,32 38.193,33 15.25,34 1.534,35 160.294,36 1.053,37 0.399,38 0.399,39 3.754,40 12.408,41 361,42 9.926,43 12.854,44 4.722,45 15.215,46 163,47 4.62,48 4.62,49 3.011,51 1.547,52 2.3,53 1.547,54 8.163,55 8.163,56 319.916,57 38.95,58 3.401,59 18.859,60 708.695,61 7601.44,62 98.66,63 4518,64 62,65 21.144,66 1.744,67 1.744,68 15.437,69 2.806,70 5.9}
{0 CHEMBL1682558,3 1.256,4 89.3,5 1,6 2.195,8 3.409,9 63,10 1.727,11 8.447,12 16678,13 18.761,14 29337,15 2.866,16 5.999,17 5.999,18 1.137,19 5.854,20 3.74,21 17.224,22 132.881,23 19.631,24 13.882,25 90.117,26 3.223,27 5.032,28 1,29 1.484,30 3.644,31 1.19,32 50.072,33 19.75,34 2.07,35 205.141,36 1.475,37 1,38 1,39 4.008,40 16.014,41 651,42 12.082,43 17.814,44 6.306,45 28.54,46 291,47 6.176,48 6.176,49 3.147,51 2.051,52 2.496,53 2.051,54 8.047,55 8.047,56 442.509,57 50.284,58 3.555,59 29.431,60 1408.59,61 18930.3,62 145.501,63 10142,64 100,65 27.26,66 2.178,67 2.178,68 20.783,69 3.106,70 5.9}
{0 CHEMBL1721885,2 4,3 1.951,4 67.972,5 3,6 2.546,8 3.502,9 71.5,10 1.743,11 8.683,12 24393,13 21.957,14 43244,15 2.989,16 5.747,17 5.747,18 1.554,19 5.706,20 3.711,21 18.022,22 156,23 22.828,24 14.936,25 97.458,26 3.409,27 4.967,28 1.188,29 1.412,30 3.481,31 1.619,32 55.464,33 21.25,34 2.495,35 221.263,36 2.075,37 1.311,38 1.311,39 4.623,40 18.127,41 916,42 13.63,43 19.391,44 6.944,45 36,46 423,47 6.677,48 6.677,49 3.317,51 2.109,52 2.56,53 2.109,54 7.539,55 7.539,56 521.376,57 55.242,58 3.555,59 32.436,60 1916.02,61 28585.6,62 169.78,63 14279,64 148,65 30.254,66 2.293,67 2.293,68 21.716,69 3.157,70 6.658}
{0 CHEMBL17370,2 2,3 1,4 124.938,5 4,6 2.429,8 3.305,9 55,10 1.697,11 8.122,12 12768,13 17.416,14 22824,15 2.687,16 4.879,17 4.879,18 1,19 5.772,20 3.781,21 14.991,22 110.211,23 17.933,24 12.905,25 84.208,26 3.37,27 4.673,28 0.983,29 1.5,30 3.636,31 1,32 46.831,33 16.25,34 1.854,35 185.628,36 1.169,37 1,38 1,39 3.769,40 14.925,41 562,42 11.037,43 15.368,44 5.778,45 23.663,46 258,47 6.062,48 6.062,49 3.154,51 1.774,52 2.495,53 1.774,54 7.837,55 7.837,56 412.45,57 44.422,58 3.555,59 20.731,60 1105.88,61 13579.8,62 125.644,63 7361,64 89,65 24.817,66 2.213,67 2.213,68 18.548,69 2.849,70 5.9}
{0 CHEMBL1789941,3 1,4 49.931,5 1,6 1.721,8 3.189,9 49,10 1.66,11 7.757,12 8528,13 15.648,14 13930,15 2.675,16 3.65,17 3.65,18 0.737,19 5.787,20 3.661,21 13.317,22 100.042,23 15.648,24 11.365,25 70.932,26 3.202,27 4.13,28 0.618,29 0.652,30 3.382,31 0.945,32 41.503,33 15.5,34 1.548,35 160.435,36 1.107,37 0.618,38 0.618,39 3.676,40 12.813,41 419,42 9.78,43 14.344,44 5.139,45 17.149,46 189,47 4.488,48 4.488,49 3.035,51 1.548,52 2.077,53 1.548,54 7.9,55 7.9,56 323.385,57 39.513,58 3.498,59 11.964,60 817.862,61 9238.71,62 106.314,63 5381,64 76,65 22.279,66 1.661,67 1.661,68 16.506,69 2.871,70 6.481}
{0 CHEMBL180022,2 2,3 2.123,4 141.925,5 2,6 2.787,8 3.717,9 86.333,10 1.803,11 9.348,12 43287,13 28.985,14 75280,15 3.326,16 6.516,17 6.516,18 2.053,19 6.069,20 3.799,21 22.361,22 208.877,23 28.485,24 19.66,25 124.66,26 3.546,27 5.227,28 1.314,29 1.962,30 3.675,31 1.744,32 67.325,33 26,34 2.644,35 264.931,36 2.227,37 1.439,38 1.439,39 4.422,40 23.197,41 1326,42 17.384,43 23.885,44 9.056,45 59.85,46 630,47 6.969,48 6.969,49 3.461,51 2.239,52 2.897,53 2.239,54 8.761,55 8.761,56 646.965,57 65.003,58 3.727,59 42.208,60 3188.76,61 56274.5,62 227.222,63 25305,64 206,65 36.24,66 2.374,67 2.374,68 27.862,69 3.349,70 5}
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{0 CHEMBL184847,2 8,3 1.383,4 128.37,5 10,6 2.311,8 3.374,9 59.5,10 1.704,11 8.274,12 16739,13 19.673,14 28055,15 2.925,16 5.403,17 5.403,18 1.091,19 5.958,20 3.772,21 15.453,22 127.851,23 19.673,24 13.508,25 83.474,26 3.272,27 4.979,28 1,29 1.5,30 3.408,31 1.414,32 48.64,33 17.5,34 2.187,35 186.15,36 1.634,37 1,38 1,39 4.051,40 15.797,41 768,42 12.468,43 16.321,44 6.056,45 27.857,46 351,47 6.615,48 6.615,49 3.172,51 1.873,52 2.533,53 1.873,54 8.382,55 8.382,56 402.816,57 48.447,58 3.71,59 16.203,60 1427.29,61 19576.9,62 143.126,63 10424,64 127,65 27.2,66 2.252,67 2.252,68 18.937,69 3,70 6.2}
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{0 CHEMBL1965170,1 1,2 9,3 1.88,4 169.708,5 8,6 2.575,7 6.303,8 3.668,9 83,10 1.783,11 9.159,12 42162,13 27.001,14 77122,15 3.38,16 6.973,17 6.973,18 1.438,19 5.79,20 3.879,21 21.629,22 191.421,23 26.648,24 18.898,25 120.81,26 3.471,27 5.392,28 1.309,29 1.861,30 3.794,31 1.793,32 64.309,33 24.75,34 2.399,35 279.456,36 2.213,37 1.36,38 1.36,39 4.767,40 21.274,41 1416,42 17.066,43 22.663,44 8.417,45 57.792,46 653,47 7.241,48 7.241,49 3.366,50 3,51 2.343,52 2.958,53 2.343,54 7.957,55 7.957,56 615.172,57 65.213,58 3.695,59 30.528,60 2945.19,61 51279.8,62 215.093,63 24232,64 212,65 35.162,66 2.49,67 2.49,68 26.59,69 3.394,70 8.1}
{0 CHEMBL1965387,1 1,2 9,3 1.537,4 192.184,5 12,6 2.592,7 6.23,8 3.615,9 77.333,10 1.77,11 9.002,12 36678,13 25.407,14 65915,15 3.277,16 6.904,17 6.904,18 1.457,19 5.632,20 3.88,21 20.748,22 178.117,23 24.907,24 17.852,25 112.669,26 3.467,27 5.352,28 1.264,29 1.787,30 3.808,31 1.533,32 60.416,33 23.5,34 2.36,35 248.398,36 1.853,37 1.338,38 1.338,39 4.472,40 20.126,41 1259,42 16.135,43 21.246,44 7.889,45 55.963,46 575,47 6.998,48 6.998,49 3.362,50 3,51 2.312,52 3.056,53 2.312,54 7.805,55 7.805,56 562.389,57 60.434,58 3.634,59 25.13,60 2614.93,61 44417.1,62 201.144,63 21727,64 196,65 33.886,66 2.461,67 2.461,68 25.226,69 3.414,70 5.5}
{0 CHEMBL1965423,2 4,3 1.403,4 136.32,5 3,6 2.224,7 6.18,8 3.409,9 62,10 1.726,11 8.448,12 15853,13 19.604,14 27443,15 2.852,16 6.033,17 6.033,18 1,19 5.998,20 3.847,21 17.389,22 134.881,23 20.121,24 14.068,25 91.636,26 3.398,27 5.041,28 1,29 1.5,30 3.552,31 1.314,32 51.422,33 19.5,34 1.987,35 234.106,36 1.475,37 1,38 1,39 4.105,40 16.95,41 641,42 13.317,43 16.742,44 6.139,45 24.644,46 290,47 6.715,48 6.715,49 3.271,50 4,51 2.165,52 2.784,53 2.165,54 8.453,55 8.453,56 462.445,57 52.92,58 3.602,59 25.086,60 1389.41,61 17994,62 144.105,63 9509,64 101,65 26.851,66 2.25,67 2.25,68 20.211,69 3.168,70 5.9}
{0 CHEMBL1965507,2 4,3 1.24,4 144.879,5 8,6 2.246,7 5.892,8 3.44,9 65,10 1.721,11 8.471,12 22707,13 21.441,14 41502,15 2.964,16 5.677,17 5.677,18 1.14,19 5.63,20 3.828,21 17.032,22 137.207,23 21.087,24 14.945,25 95.065,26 3.428,27 5.033,28 1,29 1.502,30 3.447,31 1.349,32 51.138,33 19.75,34 2.133,35 217.856,36 1.757,37 1.016,38 1.016,39 4.274,40 16.787,41 876,42 13.852,43 17.222,44 6.528,45 32.8,46 402,47 6.45,48 6.45,49 3.153,51 2.022,52 2.806,53 2.022,54 7.751,55 7.751,56 501.095,57 50.902,58 3.636,59 18.368,60 1697.25,61 25039.3,62 157.95,63 12955,64 148,65 29.033,66 2.238,67 2.238,68 20.632,69 3.285,70 5.9}
{0 CHEMBL1965589,3 1.331,4 71.137,5 1,6 2.489,8 3.442,9 67,10 1.736,11 8.55,12 18620,13 19.14,14 34598,15 2.972,16 6.233,17 6.233,18 1.149,19 6.36,20 3.831,21 17.748,22 145.207,23 20.88,24 13.629,25 91.548,26 3.267,27 5.179,28 1.046,29 1.626,30 3.71,31 1.341,32 52.868,33 21,34 2.049,35 228.744,36 1.491,37 1.1,38 1.1,39 4.329,40 16.102,41 669,42 12.753,43 17.525,44 6.319,45 27.88,46 302,47 7.047,48 7.047,49 3.158,51 2.144,52 2.843,53 2.144,54 9.573,55 9.573,56 535.886,57 53.798,58 3.816,59 27.489,60 1504.72,61 20159.9,62 151.045,63 10551,64 104,65 27.771,66 2.372,67 2.372,68 20.702,69 3.016,70 5.9}
{0 CHEMBL1965660,1 2,2 2,3 0.982,4 103.869,5 5,6 2.167,7 11.057,8 3.189,9 50.167,10 1.663,11 7.772,12 10013,13 17.56,14 19922,15 2.859,16 4.585,17 4.585,18 0.345,19 5.903,20 3.693,21 13.147,22 104.042,23 16.56,24 11.53,25 74.491,26 3.218,27 4.667,28 -0.04,29 -0.072,30 3.564,31 0.888,32 39.239,33 15.25,34 1.627,35 174.818,36 1.021,37 -0.057,38 -0.057,39 4.508,40 13.189,41 410,42 11.173,43 12.868,44 4.972,45 17.365,46 194,47 6.008,48 6.008,49 2.853,50 2,51 1.685,52 2.271,53 1.685,54 8.049,55 8.049,56 451.375,57 40.006,58 3.567,59 13.921,60 810.666,61 8991.94,62 105.583,63 4956,64 70,65 22.092,66 2.139,67 2.139,68 15.524,69 3.054,70 5.9}
{0 CHEMBL1965836,2 3,3 1.291,4 101.183,5 4,6 2.479,7 6.128,8 3.502,9 72.5,10 1.74,11 8.67,12 28546,13 20.217,14 55227,15 2.931,16 6.269,17 6.269,18 1.257,19 6.117,20 3.799,21 18.612,22 155.245,23 22.717,24 14.119,25 97.207,26 3.401,27 5.095,28 1.174,29 1.723,30 3.507,31 1.441,32 52.844,33 20.5,34 2.091,35 217.561,36 1.598,37 1.19,38 1.19,39 4.786,40 17.187,41 943,42 12.57,43 18.5,44 6.792,45 35.055,46 436,47 6.88,48 6.88,49 3.254,50 2,51 2.209,52 2.649,53 2.209,54 8.979,55 8.979,56 587.737,57 53.384,58 3.778,59 22.666,60 1960.66,61 30438.7,62 171.96,63 15224,64 163,65 30.548,66 2.388,67 2.388,68 21.781,69 3.296,70 6}
{0 CHEMBL1965845,2 2,3 1.388,4 98.437,5 6,6 2.202,8 3.374,9 60,10 1.705,11 8.282,12 16295,13 19.51,14 27125,15 2.991,16 4.649,17 4.649,18 1.15,19 5.954,20 3.722,21 15.831,22 134.606,23 19.51,24 13.652,25 85.497,26 3.257,27 4.633,28 0.983,29 1.156,30 3.423,31 1.207,32 47.599,33 18.5,34 1.621,35 188.144,36 1.543,37 1,38 1,39 4.108,40 16.106,41 760,42 12.016,43 17.024,44 6.222,45 27.663,46 347,47 6.545,48 6.545,49 3.215,51 1.67,52 2.326,53 1.67,54 8.388,55 8.388,56 392.387,57 47.976,58 3.686,59 24.291,60 1419.69,61 19280.6,62 142.657,63 10278,64 123,65 27.141,66 2.263,67 2.263,68 19.685,69 3.097,70 6.5}
{0 CHEMBL1966175,2 1,3 1.199,4 44.118,6 2.151,8 3.23,9 52,10 1.675,11 7.893,12 9545,13 16.681,14 16521,15 2.791,16 4.515,17 4.515,18 1.111,19 5.981,20 3.615,21 13.879,22 110.039,23 16.681,24 11.686,25 73.483,26 3.089,27 4.635,28 0.626,29 0.945,30 3.465,31 1.025,32 44.755,33 17,34 1.885,35 176.26,36 1.512,37 0.67,38 0.67,39 3.811,40 13.437,41 461,42 10.491,43 14.643,44 5.278,45 16.75,46 209,47 5.542,48 5.542,49 3.011,51 1.568,52 2.07,53 1.568,54 8.403,55 8.403,56 367.48,57 42.851,58 3.603,59 20.692,60 890.773,61 10016.6,62 111.395,63 5637,64 74,65 22.808,66 1.886,67 1.886,68 16.867,69 3.039,70 5.5}
{0 CHEMBL1966279,2 5,3 1.501,4 142.931,5 8,6 2.279,7 5.401,8 3.56,9 74.5,10 1.756,11 8.846,12 30583,13 24.381,14 55881,15 3.221,16 5.593,17 5.593,18 1.341,19 6.064,20 3.824,21 18.621,22 166.974,23 24.131,24 17.207,25 110.78,26 3.439,27 5.04,28 1.172,29 1.616,30 3.719,31 1.522,32 58.306,33 21,34 2.19,35 268.679,36 1.73,37 1.184,38 1.184,39 4.682,40 18.932,41 1074,42 16.217,43 20.074,44 7.514,45 39.862,46 500,47 6.905,48 6.905,49 3.401,51 1.963,52 2.638,53 1.963,54 8.751,55 8.751,56 572.033,57 57.056,58 3.814,59 26.015,60 2243.06,61 35612,62 185.22,63 17257,64 176,65 31.932,66 2.317,67 2.317,68 23.143,69 3.338,70 5.9}
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{0 CHEMBL1966628,2 1,3 1,4 43.235,5 4,6 1.548,7 5.963,8 3.189,9 49,10 1.655,11 7.731,12 8679,13 15.648,14 13666,15 2.801,16 4.275,17 4.275,18 0.488,19 5.54,20 3.669,21 13.426,22 100.042,23 15.648,24 11.293,25 70.225,26 3.12,27 4.512,28 0.455,29 0.717,30 3.271,31 1,32 38.948,33 15.75,34 1.504,35 156.491,36 1,37 0.486,38 0.486,39 3.849,40 12.866,41 513,42 10.104,43 14.129,44 5,45 17.732,46 230,47 5.458,48 5.458,49 3.051,51 1.547,52 2.222,53 1.547,54 7.41,55 7.41,56 300.596,57 39.562,58 3.484,59 15.556,60 864.674,61 9763.79,62 107.641,63 5726,64 80,65 22.599,66 1.923,67 1.923,68 16.271,69 2.866,70 7}
{0 CHEMBL1966703,2 3,3 0.994,4 64.424,5 7,6 2.312,8 3.231,9 52,10 1.682,11 7.936,12 8062,13 16.19,14 13022,15 2.791,16 5.136,17 5.136,18 0.468,19 6.3,20 3.722,21 13.709,22 108.039,23 17.06,24 10.961,25 70.991,26 3.043,27 4.937,30 3.266,31 1.149,32 42.794,33 15,34 1.939,35 180.758,36 1.305,39 3.868,40 14.021,41 369,42 10.99,43 13.812,44 4.972,45 14.743,46 170,47 6.422,48 6.422,49 2.953,51 1.776,52 2.217,53 1.776,54 9.321,55 9.321,56 365.301,57 43.981,58 3.731,59 22.936,60 803.944,61 8944.34,62 108.593,63 4997,64 63,65 22.177,66 2.087,67 2.087,68 15.94,69 2.865,70 5.9}
{0 CHEMBL1966722,2 15,3 1.102,4 150.285,5 12,6 2.361,8 3.374,9 59.833,10 1.712,11 8.319,12 16842,13 20.985,14 30915,15 2.889,16 5.108,17 5.108,18 1,19 5.527,20 3.86,21 15.432,22 110.606,23 19.985,24 14.074,25 89.438,26 3.411,27 4.696,28 1,29 1.5,30 3.729,31 1,32 46.341,33 16.75,34 1.904,35 194.863,36 1.271,37 1,38 1,39 4.314,40 16.297,41 666,42 12.798,43 16.274,44 6.25,45 26.306,46 314,47 5.863,48 5.863,49 3.221,51 1.896,52 2.499,53 1.896,54 6.623,55 6.623,56 468.108,57 45.993,58 3.278,59 25.295,60 1360,61 18069.2,62 140.664,63 9257,64 108,65 26.797,66 2.116,67 2.116,68 19.11,69 3.302,70 5.9}
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{0 CHEMBL1967302,2 3,3 1.546,4 115.022,5 3,6 2.404,7 6.329,8 3.44,9 64,10 1.723,11 8.482,12 20778,13 20.501,14 36017,15 2.9,16 5.345,17 5.345,18 1.219,19 6.06,20 3.768,21 17.289,22 147.207,23 20.501,24 14.653,25 91.055,26 3.327,27 4.819,28 1.14,29 1.671,30 3.501,31 1.496,32 52.898,33 19.5,34 1.977,35 205.921,36 1.583,37 1.155,38 1.155,39 4.302,40 16.391,41 895,42 13.427,43 17.922,44 6.444,45 30.009,46 397,47 6.548,48 6.548,49 3.243,50 2,51 1.924,52 2.548,53 1.924,54 8.84,55 8.84,56 427.404,57 52.195,58 3.764,59 20.673,60 1677.08,61 24318.1,62 157.086,63 13037,64 141,65 28.881,66 2.257,67 2.257,68 20.896,69 3.247,70 5.9}
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{0 CHEMBL1967513,2 4,3 1.065,4 81.768,5 5,6 2.096,8 3.267,9 57.833,10 1.679,11 7.981,12 14683,13 16.027,14 31280,15 2.827,16 5.238,17 5.238,18 0.638,19 5.533,20 3.669,21 14.461,22 111.342,23 18.027,24 10.903,25 78.635,26 3.266,27 4.775,28 0.112,29 0.162,30 3.441,31 1.043,32 41.238,33 16.75,34 1.843,35 182.18,36 1.189,37 0.131,38 0.131,39 4.712,40 13.189,41 517,42 10.156,43 14.06,44 5.306,45 19.139,46 244,47 5.816,48 5.816,49 2.966,51 1.855,52 2.553,53 1.855,54 7.525,55 7.525,56 558.204,57 41.484,58 3.535,59 8.393,60 1041.29,61 12817.5,62 121.005,63 6873,64 94,65 24.256,66 2.108,67 2.108,68 16.813,69 3.043,70 5.5}
{0 CHEMBL1967531,1 1,2 7,3 1,4 146.894,5 8,6 2.058,7 5.998,8 3.304,9 55.5,10 1.684,11 8.061,12 14717,13 18.286,14 26743,15 2.762,16 5.069,17 5.069,18 1,19 5.561,20 3.789,21 15.034,22 114.211,23 17.933,24 13.158,25 83.353,26 3.365,27 4.671,28 0.979,29 1.5,30 3.443,31 1,32 44.202,33 17,34 1.539,35 191.864,36 1.088,37 1,38 1,39 3.987,40 14.456,41 674,42 11.899,43 15.093,44 5.694,45 24.769,46 305,47 5.677,48 5.677,49 3.097,50 2,51 1.925,52 2.631,53 1.925,54 7.581,55 7.581,56 417.131,57 44.221,58 3.54,59 13.468,60 1195.11,61 15364.4,62 129.175,63 8507,64 112,65 25.535,66 2,67 2,68 18.29,69 2.973,70 6.7}
{0 CHEMBL1967544,2 1,3 1.562,4 149.402,6 2.413,7 5.89,8 3.616,9 76.5,10 1.779,11 9.063,12 28008,13 25.536,14 47407,15 3.267,16 6.963,17 6.963,18 1.49,19 6.308,20 3.974,21 20.427,22 180.117,23 25.286,24 18.185,25 115.877,26 3.402,27 5.578,28 1.332,29 1.97,30 3.763,31 1.612,32 61.623,33 23,34 1.848,35 301.232,36 1.618,37 1.405,38 1.405,39 4.403,40 20.982,41 972,42 17.266,43 21.004,44 7.861,45 36.093,46 444,47 8.289,48 8.289,49 3.369,50 1,51 2.199,52 2.99,53 2.199,54 9.624,55 9.624,56 544.929,57 63.167,58 3.988,59 42.071,60 2353.02,61 35871.4,62 193.457,63 17379,64 152,65 32.443,66 2.473,67 2.473,68 24.841,69 3.337,70 5.9}
{0 CHEMBL1967560,3 1.938,4 84.357,5 2,6 2.802,8 3.668,9 83,10 1.787,11 9.189,12 33098,13 26.811,14 52203,15 3.175,16 7.057,17 7.057,18 1.816,19 6.218,20 3.73,21 21.611,22 191.421,23 26.811,24 18.389,25 116.637,26 3.485,27 5.392,28 1.269,29 1.692,30 3.665,31 1.86,32 65.109,33 26.5,34 2.463,35 273.346,36 2.172,37 1.272,38 1.272,39 4.323,40 22.736,41 1181,42 16.495,43 24.229,44 8.417,45 45.526,46 541,47 8.238,48 8.238,49 3.338,51 2.453,52 2.7,53 2.453,54 9.008,55 9.008,56 544.818,57 66.159,58 3.684,59 46.109,60 2790.61,61 46312.4,62 211.289,63 21931,64 193,65 34.488,66 2.565,67 2.565,68 26.57,69 3.329,70 5.9}
{0 CHEMBL1967564,2 4,3 0.306,4 57.232,5 4,6 1.407,8 3.011,9 41,10 1.603,11 7.183,12 5210,13 13.242,14 8330,15 2.442,16 3.071,17 3.071,18 -0.06,19 5.271,20 3.53,21 10.608,22 80.711,23 13.242,24 9.275,25 57.953,26 2.956,27 3.907,28 -0.476,29 -0.693,30 3.092,31 0.444,32 32.098,33 12.25,34 1.353,35 128.126,36 0.666,37 -0.489,38 -0.489,39 3.74,40 10.604,41 340,42 8.167,43 11.266,44 4.25,45 14.022,46 158,47 4.382,48 4.382,49 2.9,51 1.393,52 2.035,53 1.393,54 6.565,55 6.565,56 286.426,57 32.21,58 3.331,59 9.789,60 537.149,61 5150.03,62 81.722,63 3156,64 54,65 18.844,66 1.569,67 1.569,68 13.244,69 2.892,70 5.9}
{0 CHEMBL1967612,2 1,3 -1,4 41.37,5 1,6 0.815,8 2.673,9 29.833,10 1.493,11 6.126,12 2340,13 10.388,14 4889,15 1.672,16 -0.453,17 -0.453,18 -1.213,19 5.127,20 3.298,21 7.379,22 46.106,23 9.638,24 7.115,25 49.374,26 2.466,27 2.966,28 -1.48,29 -2,30 3.024,31 -0.936,32 24.127,33 8.25,34 0.291,35 151.039,36 -0.674,37 -1.572,38 -1.572,39 3.45,40 7.815,41 127,42 8.049,43 6.979,44 2.681,45 5.325,46 62,47 2.601,48 2.601,49 2.277,51 -0.187,52 -0.239,53 -0.187,54 5.935,55 5.935,56 333.219,57 23.029,58 3.104,60 181.6,61 1323.28,62 45.329,63 956,64 25,65 12.493,66 1.014,67 1.014,68 8.381,69 2.049,70 4}
{0 CHEMBL1967720,1 1,2 8,3 2.019,4 167.408,5 9,6 2.741,7 11.84,8 3.668,9 83,10 1.784,11 9.166,12 41476,13 26.51,14 77411,15 3.373,16 7.062,17 7.062,18 1.704,19 6.345,20 3.884,21 21.479,22 193.421,23 27.026,24 18.189,25 118.191,26 3.523,27 5.41,28 1.403,29 1.96,30 3.8,31 1.69,32 65.9,33 24.5,34 2.549,35 290.295,36 2.272,37 1.414,38 1.414,39 4.773,40 21.344,41 1272,42 17.333,43 21.634,44 8.083,45 54.155,46 588,47 7.667,48 7.667,49 3.426,50 4,51 2.357,52 3.057,53 2.357,54 9.619,55 9.619,56 646.873,57 66.829,58 3.82,59 37.166,60 2886.41,61 49340,62 213.682,63 23316,64 204,65 34.897,66 2.57,67 2.57,68 25.554,69 3.401,70 8.1}
{0 CHEMBL1967878,1 1,2 1,3 1.957,4 64.802,5 5,6 2.64,7 5.628,8 3.532,9 72,10 1.75,11 8.77,12 24411,13 22.242,14 39985,15 2.975,16 6.42,17 6.42,18 1.623,19 6.094,20 3.787,21 19.1,22 162.465,23 23.112,24 15.474,25 99.993,26 3.331,27 5.206,28 1.211,29 1.6,30 3.619,31 1.642,32 57.719,33 22.75,34 2.286,35 237.987,36 2.013,37 1.241,38 1.241,39 4.35,40 18.961,41 981,42 14.529,43 20.253,44 7.028,45 35.609,46 443,47 7.125,48 7.125,49 3.173,50 1,51 2.252,52 2.652,53 2.252,54 8.89,55 8.89,56 481.7,57 58.478,58 3.788,59 28.461,60 2049.49,61 31126.3,62 176.629,63 15765,64 157,65 30.921,66 2.334,67 2.334,68 22.605,69 3.143,70 5.6}
{0 CHEMBL1967887,2 2,3 0.704,4 54.849,5 2,6 1.475,7 5.437,8 3.058,9 43,10 1.617,11 7.329,12 6111,13 13.949,14 9945,15 2.568,16 3.193,17 3.193,18 -0.208,19 5.307,20 3.395,21 11.305,22 86.439,23 13.949,24 9.775,25 61.321,26 2.905,27 4.012,28 -0.345,29 -0.461,30 3.274,31 0.644,32 33.036,33 12.75,34 1.257,35 131.511,36 0.731,37 -0.353,38 -0.353,39 3.665,40 11.258,41 373,42 8.487,43 11.958,44 4.5,45 14.19,46 173,47 4.193,48 4.193,49 2.876,50 1,51 1.349,52 1.811,53 1.349,54 6.826,55 6.826,56 286.01,57 33.681,58 3.284,59 12.652,60 614.456,61 6222.56,62 88.406,63 3719,64 61,65 19.864,66 1.594,67 1.594,68 14.096,69 2.741,70 5.9}
{0 CHEMBL1967992,2 3,3 1,4 126.863,5 4,6 1.795,8 3.146,9 45.5,10 1.647,11 7.619,12 8101,13 15.2,14 13453,15 2.687,16 3.112,17 3.112,18 0.813,19 5.337,20 3.687,21 12.029,22 90.107,23 15.2,24 10.865,25 66.495,26 3.134,27 3.63,28 0.442,29 0.669,30 3.143,31 0.983,32 37.494,33 13.25,34 1.518,35 129.997,36 1,37 0.469,38 0.469,39 3.674,40 12.03,41 436,42 8.981,43 13.167,44 5.056,45 18,46 203,47 4.219,48 4.219,49 3.012,51 1.435,52 2.034,53 1.435,54 6.954,55 6.954,56 292.397,57 35.356,58 3.487,59 12.759,60 771.295,61 8617.27,62 101.475,63 4946,64 71,65 21.815,66 1.665,67 1.665,68 15.56,69 2.7,70 5.5}
{0 CHEMBL1967998,2 1,3 1.534,4 88.274,6 2.414,8 3.502,9 68.333,10 1.739,11 8.662,12 24854,13 22.416,14 41755,15 3.163,16 6.536,17 6.536,18 1.146,19 6.097,20 3.877,21 18.889,22 152,23 21.916,24 15.963,25 101.041,26 3.345,27 5.221,28 1.049,29 1.622,30 3.644,31 1.38,32 53.963,33 22.25,34 2.189,35 231.643,36 1.602,37 1.093,38 1.093,39 3.997,40 18.602,41 1044,42 14.359,43 19.531,44 7,45 38.602,46 468,47 6.776,48 6.776,49 3.2,51 2.214,52 2.677,53 2.214,54 8.912,55 8.912,56 480.212,57 54.454,58 3.772,59 27.032,60 1978.53,61 30326.4,62 171.755,63 15705,64 160,65 30.614,66 2.37,67 2.37,68 22.825,69 3.307,70 6.3}
{0 CHEMBL1968127,3 1.159,4 100.024,5 1,6 2.382,8 3.441,9 65.5,10 1.732,11 8.524,12 17971,13 20.433,14 29363,15 2.927,16 6.004,17 6.004,18 1,19 5.998,20 3.782,21 17.183,22 139.207,23 21.303,24 13.927,25 90.746,26 3.274,27 5.031,28 1,29 1.5,30 3.647,31 1.322,32 50.44,33 20.75,34 2.204,35 210.664,36 1.451,37 1,38 1,39 4.151,40 17.555,41 739,42 13.323,43 17.407,44 6.389,45 30.258,46 345,47 6.611,48 6.611,49 3.215,51 2.108,52 2.74,53 2.108,54 8.453,55 8.453,56 467.993,57 51.411,58 3.624,59 26.673,60 1581.57,61 21728.6,62 153.401,63 10955,64 118,65 28.125,66 2.264,67 2.264,68 20.303,69 3.154,70 5.9}
{0 CHEMBL1968151,2 1,3 0.646,4 46.725,6 1.436,8 3.013,9 41.5,10 1.606,11 7.204,12 5752,13 13.173,14 10946,15 2.461,16 2.776,17 2.776,18 0.314,19 5.879,20 3.654,21 11.63,22 76.711,23 12.82,24 9.781,25 63.34,26 2.751,27 3.812,28 -0.361,29 -0.499,30 3.151,31 0.722,32 34.848,33 13.5,34 1.213,35 164.439,36 1,37 -0.381,38 -0.381,39 3.674,40 10.386,41 309,42 9.108,43 11.29,44 4.056,45 11.446,46 136,47 4.322,48 4.322,49 2.735,51 1.172,52 1.67,53 1.172,54 7.974,55 7.974,56 360.308,57 34.438,58 3.394,59 8.581,60 505.015,61 4754.6,62 80.233,63 3100,64 52,65 18.519,66 1.703,67 1.703,68 13.688,69 2.687,70 5.9}
{0 CHEMBL1968380,3 1.938,4 84.909,5 2,6 2.803,8 3.668,9 82.5,10 1.787,11 9.189,12 32586,13 26.811,14 50645,15 3.181,16 7.057,17 7.057,18 1.808,19 6.218,20 3.73,21 21.543,22 191.421,23 26.811,24 18.389,25 116.099,26 3.507,27 5.392,28 1.27,29 1.692,30 3.665,31 1.857,32 64.991,33 26.25,34 2.464,35 269.849,36 2.176,37 1.272,38 1.272,39 4.311,40 22.866,41 1181,42 16.495,43 24.229,44 8.417,45 45.526,46 541,47 8.238,48 8.238,49 3.429,51 2.453,52 2.7,53 2.453,54 9.008,55 9.008,56 527.84,57 66.159,58 3.685,59 46.069,60 2790.61,61 46312.4,62 211.289,63 21931,64 193,65 34.488,66 2.565,67 2.565,68 26.489,69 3.332,70 5.9}
{0 CHEMBL1968590,1 1,2 3,3 1.094,4 98.025,5 4,6 2.105,7 6.185,8 3.305,9 55,10 1.692,11 8.098,12 13065,13 18.966,14 23415,15 2.902,16 5.347,17 5.347,18 1.002,19 6.019,20 3.633,21 15.121,22 122.211,23 18.259,24 13.425,25 86.287,26 3.432,27 4.824,28 0.605,29 0.983,30 3.488,31 1.038,32 45.087,33 16.5,34 1.774,35 220.691,36 1.14,37 0.7,38 0.7,39 4.141,40 15.871,41 591,42 12.811,43 15.056,44 5.667,45 24.272,46 272,47 5.851,48 5.851,49 3.155,50 3,51 1.951,52 2.708,53 1.951,54 8.569,55 8.569,56 435.291,57 46.27,58 3.56,59 19.585,60 1133.68,61 13767.3,62 126.096,63 7448,64 92,65 24.861,66 2.165,67 2.165,68 18.184,69 3.109,70 5.9}
{0 CHEMBL1968606,2 5,3 1,4 102.932,5 10,6 2.306,8 3.266,9 54.333,10 1.673,11 7.945,12 14123,13 18.311,14 26685,15 2.901,16 4.977,17 4.977,18 0.802,19 5.439,20 3.695,21 13.796,22 109.342,23 17.811,24 12.297,25 78.103,26 3.223,27 4.724,28 0.202,29 0.239,30 3.454,31 1.138,32 41.848,33 15.75,34 2.033,35 166.713,36 1.278,37 0.206,38 0.206,39 4.028,40 14.094,41 621,42 11.463,43 14.374,44 5.472,45 24.275,46 292,47 5.715,48 5.715,49 2.878,51 1.813,52 2.382,53 1.813,54 7.233,55 7.233,56 436.919,57 41.078,58 3.526,59 10.671,60 1106.01,61 14000,62 123.228,63 7577,64 105,65 24.802,66 2.101,67 2.101,68 16.877,69 3.014,70 6}
{0 CHEMBL1968705,2 3,3 1.631,4 123.028,5 4,6 2.692,8 3.718,9 85.5,10 1.806,11 9.368,12 39214,13 27.313,14 64000,15 3.298,16 7.002,17 7.002,18 1.534,19 6.117,20 3.835,21 23.127,22 208.877,23 27.313,24 19.64,25 122.528,26 3.551,27 5.357,28 1.398,29 2.041,30 3.723,31 1.817,32 67.778,33 26.5,34 2.435,35 270.776,36 1.961,37 1.456,38 1.456,39 4.32,40 22.613,41 1255,42 17.464,43 24.597,44 8.778,45 57.585,46 568,47 7.188,48 7.188,49 3.517,51 2.403,52 2.932,53 2.403,54 9.003,55 9.003,56 559.46,57 67.148,58 3.787,59 40.963,60 3100.98,61 54303.4,62 225.694,63 25688,64 191,65 36.027,66 2.495,67 2.495,68 28.294,69 3.43,70 5.6}
{0 CHEMBL1968791,2 3,3 1.59,4 140.641,5 1,6 2.476,7 6.443,8 3.589,9 73.5,10 1.77,11 8.96,12 25578,13 23.777,14 39366,15 3.096,16 6.75,17 6.75,18 1.422,19 6.014,20 3.804,21 20.612,22 169.525,23 23.777,24 17.17,25 106.237,26 3.605,27 5.298,28 1.283,29 1.785,30 3.743,31 1.498,32 60.171,33 23.25,34 2.284,35 248.645,36 1.675,37 1.361,38 1.361,39 4.251,40 20.36,41 1058,42 15.521,43 21.629,44 7.556,45 45.022,46 470,47 7.156,48 7.156,49 3.598,50 3,51 2.306,52 2.737,53 2.306,54 8.44,55 8.44,56 436.198,57 60.956,58 3.652,59 37.541,60 2299.14,61 35607.4,62 188.952,63 17980,64 155,65 32.294,66 2.509,67 2.509,68 24.77,69 3.313,70 5.9}
{0 CHEMBL1968868,2 3,3 1.242,4 98.055,5 6,6 2.227,8 3.304,9 60,10 1.689,11 8.085,12 16281,13 16.234,14 34093,15 2.864,16 4.93,17 4.93,18 1.042,19 5.646,20 3.595,21 14.647,22 117.457,23 18.734,24 11.152,25 79.041,26 3.135,27 4.657,28 0.399,29 0.876,30 3.382,31 1.179,32 44.638,33 17.25,34 2.095,35 177.492,36 1.499,37 0.43,38 0.43,39 4.836,40 13.003,41 600,42 9.917,43 14.891,44 5.639,45 24.036,46 285,47 6.064,48 6.064,49 2.976,51 1.762,52 2.446,53 1.762,54 7.871,55 7.871,56 550.026,57 42.831,58 3.672,59 9.285,60 1169.2,61 14738.3,62 128.014,63 7733,64 101,65 25.204,66 2.05,67 2.05,68 17.561,69 3.106,70 5.5}
{0 CHEMBL1969042,2 11,3 1,4 126.028,5 11,6 2.257,8 3.341,9 58.5,10 1.708,11 8.238,12 14168,13 18.803,14 25677,15 2.799,16 5.783,17 5.783,18 1,19 5.509,20 3.791,21 15.257,22 116.382,23 18.803,24 13.097,25 81.633,26 2.991,27 4.948,28 1,29 1.5,30 3.617,31 1,32 44.917,33 16.75,34 1.962,35 180.422,36 1,37 1,38 1,39 4.523,40 14.217,41 577,42 11.98,43 15.484,44 5.861,45 24.798,46 266,47 6.019,48 6.019,49 2.853,51 2.071,52 2.704,53 2.071,54 7.371,55 7.371,56 413.497,57 46.515,58 3.577,59 20.902,60 1198.12,61 15174.1,62 132.084,63 8074,64 89,65 25.598,66 2.192,67 2.192,68 18.554,69 2.833,70 6}
{0 CHEMBL1969049,2 3,3 1.097,4 122.045,5 3,6 1.817,8 3.304,9 55,10 1.688,11 8.078,12 12872,13 18.518,14 20994,15 2.899,16 4.067,17 4.067,18 1,19 5.935,20 3.693,21 14.067,22 118.211,23 18.518,24 12.58,25 78.079,26 3.124,27 4.338,28 0.887,29 1.188,30 3.401,31 1.053,32 42.536,33 15.75,34 1.619,35 160.982,36 1.15,37 0.884,38 0.884,39 3.882,40 15.192,41 637,42 11.004,43 15.321,44 5.861,45 24.533,46 300,47 5.782,48 5.782,49 3.078,51 1.537,52 2.114,53 1.537,54 8.326,55 8.326,56 357.891,57 42.736,58 3.652,59 18.926,60 1184.61,61 15065.8,62 128.602,63 7989,64 105,65 25.397,66 2.087,67 2.087,68 17.866,69 3.002,70 5.9}
{0 CHEMBL1969126,3 1.364,4 107.158,6 2.27,8 3.376,9 62.5,10 1.718,11 8.353,12 15295,13 17.673,14 28722,15 2.839,16 6.304,17 6.304,18 1.06,19 6.284,20 3.831,21 16.484,22 132.606,23 19.413,24 12.72,25 86.181,26 3.199,27 5.208,28 1.055,29 1.457,30 3.456,31 1.362,32 50.283,33 19,34 2.052,35 220.517,36 1.42,37 1.059,38 1.059,39 4.179,40 15.096,41 575,42 11.712,43 16.112,44 5.917,45 22.102,46 259,47 6.82,48 6.82,49 3.107,51 2.144,52 2.802,53 2.144,54 9.333,55 9.333,56 519.987,57 51.698,58 3.777,59 19.435,60 1255.93,61 15753.7,62 136.75,63 8484,64 91,65 25.919,66 2.251,67 2.251,68 19.329,69 3.026,70 5.9}
{0 CHEMBL1969151,2 1,3 1.036,4 63.099,5 5,6 2.061,8 3.304,9 55.333,10 1.69,11 8.088,12 12321,13 18.596,14 19585,15 2.899,16 5.163,17 5.163,18 1,19 5.864,20 3.763,21 15.305,22 116.211,23 18.096,24 12.886,25 81.637,26 3.315,27 4.711,28 0.981,29 1,30 3.39,31 1.161,32 43.855,33 18,34 1.547,35 186.749,36 1.406,37 1,38 1,39 3.914,40 15.793,41 616,42 12.057,43 15.759,44 5.611,45 22.692,46 281,47 6.28,48 6.28,49 3.209,51 1.853,52 2.319,53 1.853,54 8.185,55 8.185,56 381.635,57 44.844,58 3.632,59 24.156,60 1157.82,61 14397,62 127.384,63 7876,64 99,65 25.124,66 2.125,67 2.125,68 18.161,69 3.17,70 5.7}
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{0 CHEMBL1969372,3 1.186,4 82.375,5 1,6 2.127,8 3.341,9 59.5,10 1.707,11 8.231,12 14198,13 17.769,14 25687,15 2.802,16 4.406,17 4.406,18 1.065,19 5.787,20 3.752,21 15.866,22 124.382,23 18.64,24 12.865,25 84.385,26 3.218,27 4.578,28 1,29 1.5,30 3.411,31 1.13,32 45.114,33 19,34 1.579,35 186.087,36 1.273,37 1,38 1,39 4.04,40 14.633,41 615,42 10.872,43 16.253,44 6.056,45 25.213,46 284,47 6.007,48 6.007,49 3.102,51 1.65,52 2.27,53 1.65,54 8.008,55 8.008,56 454.552,57 45.784,58 3.546,59 20.684,60 1210.27,61 15129.3,62 131.971,63 7999,64 90,65 25.571,66 2.124,67 2.124,68 19.453,69 2.966,70 5.9}
{0 CHEMBL1969502,2 4,3 1.424,4 101.821,5 3,6 2.134,8 3.305,9 56,10 1.689,11 8.088,12 13124,13 17.673,14 23173,15 2.788,16 5.604,17 5.604,18 1,19 5.795,20 3.649,21 15.011,22 118.211,23 17.673,24 12.704,25 79.192,26 3.412,27 4.986,28 0.949,29 1.484,30 3.427,31 1.252,32 47.842,33 17,34 2.055,35 192.452,36 1.437,37 0.991,38 0.991,39 4.137,40 13.822,41 616,42 11.759,43 15.694,44 5.528,45 21.03,46 270,47 6.802,48 6.802,49 3.19,51 1.893,52 2.494,53 1.893,54 7.814,55 7.814,56 402.464,57 46.385,58 3.507,59 12.151,60 1137.32,61 14023.8,62 126.764,63 8009,64 97,65 25.021,66 2.267,67 2.267,68 18.076,69 3.052,70 6}
{0 CHEMBL1969506,2 4,3 1.745,4 126.865,5 4,6 2.84,7 5.09,8 3.588,9 78.5,10 1.763,11 8.93,12 34970,13 25.793,14 66274,15 3.026,16 7.021,17 7.021,18 1.656,19 6.713,20 3.914,21 19.391,22 168.77,23 25.543,24 17.226,25 112.529,26 3.606,27 5.364,28 1.43,29 1.8,30 3.721,31 1.511,32 63.264,33 22.5,34 2.749,35 290.538,36 2.19,37 1.419,38 1.419,39 4.832,40 19.972,41 1092,42 18.416,43 19.553,44 7.236,45 45.417,46 516,47 7.611,48 7.611,49 3.555,50 1,51 2.466,52 3.087,53 2.466,54 10.894,55 10.894,56 654.59,57 60.693,58 4.161,59 29.949,60 2410.78,61 39552.7,62 192.921,63 18752,64 183,65 32.748,66 2.497,67 2.497,68 22.653,69 3.362,70 5.9}
{0 CHEMBL1969537,3 0.892,4 7.117,6 2.152,8 3.063,9 43,10 1.63,11 7.403,12 5880,13 14.784,14 11176,15 2.676,16 5.008,17 5.008,18 0.572,19 6.417,20 3.83,21 12.992,22 86.439,23 13.43,24 10.74,25 71.197,26 3.288,27 4.882,28 0.19,29 0.257,30 3.365,31 0.804,32 41.003,33 14.5,34 1.732,35 221.279,36 1.053,37 0.214,38 0.214,39 3.462,40 12.713,41 277,42 10.781,43 11.814,44 4.111,45 9.7,46 119,47 5.327,48 5.327,49 2.788,51 1.732,52 2.391,53 1.732,54 9.712,55 9.712,56 402.519,57 39.897,58 3.662,59 15.102,60 503.064,61 4864.09,62 83.392,63 3186,64 49,65 18.661,66 1.766,67 1.766,68 14.489,69 3.096,70 5.9}
{0 CHEMBL1969561,3 1.078,4 102.756,5 1,6 2.206,8 3.376,9 60,10 1.719,11 8.356,12 13818,13 19.673,14 22582,15 2.898,16 4.765,17 4.765,18 1.036,19 6.085,20 3.767,21 15.656,22 125.851,23 19.673,24 13.542,25 84.887,26 3.238,27 4.779,28 0.987,29 1.5,30 3.547,31 1.251,32 48.109,33 17.75,34 1.59,35 195.202,36 1.332,37 1,38 1,39 3.816,40 16.125,41 561,42 12.305,43 16.399,44 6.111,45 24.929,46 258,47 6.66,48 6.66,49 3.136,51 1.758,52 2.301,53 1.758,54 8.508,55 8.508,56 412.623,57 48.337,58 3.652,59 28.164,60 1271.98,61 16460.8,62 137.903,63 8634,64 92,65 26.244,66 2.214,67 2.214,68 19.168,69 3.061,70 5.9}
{0 CHEMBL1969588,2 2,3 1,4 111.863,5 8,6 1.6,8 3.229,9 50.333,10 1.669,11 7.862,12 10648,13 16.855,14 18546,15 2.772,16 4.239,17 4.239,18 0.812,19 5.413,20 3.823,21 14.07,22 104.039,23 16.355,24 12.082,25 75.703,26 3.269,27 4.503,28 0.575,29 0.744,30 3.389,31 1,32 40.539,33 15.75,34 1.547,35 167.252,36 1.044,37 0.613,38 0.613,39 3.841,40 13.586,41 536,42 10.878,43 14.06,44 5.25,45 19.764,46 241,47 5.376,48 5.376,49 3.095,51 1.547,52 2.319,53 1.547,54 7.062,55 7.062,56 368.349,57 40.666,58 3.5,59 16.567,60 950.783,61 11148.8,62 114.061,63 6399,64 85,65 23.474,66 1.964,67 1.964,68 17.044,69 3.047,70 7.5}
{0 CHEMBL1969664,2 4,3 1.256,4 78.257,5 5,6 2.232,8 3.267,9 54,10 1.678,11 7.964,12 11934,13 17.225,14 20690,15 2.866,16 5.219,17 5.219,18 1,19 5.573,20 3.617,21 14.474,22 112.096,23 17.225,24 12.242,25 76.855,26 3.046,27 4.894,28 0.688,29 1,30 3.454,31 0.956,32 44.78,33 16.75,34 2.047,35 171.256,36 1.518,37 0.714,38 0.714,39 3.963,40 13.697,41 593,42 10.822,43 15.382,44 5.528,45 23.232,46 269,47 6.099,48 6.099,49 2.987,51 1.789,52 2.361,53 1.789,54 7.62,55 7.62,56 377.706,57 42.802,58 3.499,59 11.758,60 1061.03,61 12822.2,62 120.908,63 7178,64 93,65 24.372,66 2.09,67 2.09,68 17.744,69 2.908,70 5.6}
{0 CHEMBL1969735,3 1.193,4 74.564,5 1,6 2.351,8 3.441,9 65.833,10 1.735,11 8.542,12 18785,13 20.933,14 34118,15 2.966,16 6.009,17 6.009,18 1.141,19 6.206,20 3.792,21 17.285,22 141.207,23 21.303,24 14.271,25 93.722,26 3.461,27 5.036,28 1,29 1.5,30 3.627,31 1.184,32 51.389,33 20.5,34 2.016,35 222.892,36 1.377,37 1,38 1,39 4.279,40 17.228,41 688,42 13.331,43 17.448,44 6.5,45 29.307,46 322,47 6.879,48 6.879,49 3.118,51 2.132,52 2.824,53 2.132,54 9.054,55 9.054,56 525.57,57 51.987,58 3.659,59 29.677,60 1532.78,61 20731.4,62 151.901,63 10406,64 108,65 27.847,66 2.348,67 2.348,68 20.615,69 3.148,70 5.9}
{0 CHEMBL1969843,3 0.704,4 45.379,5 1,6 1.534,8 3.103,9 45.5,10 1.626,11 7.449,12 7444,13 14.071,14 12463,15 2.793,16 3.745,17 3.745,18 0.397,19 5.542,20 3.632,21 12.379,22 88.239,23 14.071,24 10.382,25 65.768,26 2.915,27 4.194,28 0.382,29 0.587,30 3.23,31 0.963,32 36.009,33 13.75,34 1.379,35 147.121,36 1.04,37 0.394,38 0.394,39 3.474,40 11.697,41 446,42 9.203,43 13.072,44 4.556,45 16.653,46 197,47 4.277,48 4.277,49 2.941,51 1.495,52 1.932,53 1.495,54 7.53,55 7.53,56 306.769,57 35.705,58 3.515,59 9.031,60 708.442,61 7553.57,62 95.579,63 4697,64 71,65 21.045,66 1.534,67 1.534,68 15.052,69 2.866,70 5.9}
{0 CHEMBL1969879,2 1,3 1,4 39.65,6 1.614,8 3.148,9 48.5,10 1.65,11 7.643,12 7394,13 15.69,14 12266,15 2.746,16 3.624,17 3.624,18 0.458,19 5.956,20 3.447,21 12.333,22 98.107,23 15.69,24 10.613,25 67.524,26 3.086,27 4.15,28 0.22,29 0.272,30 3.28,31 0.867,32 37.15,33 15.5,34 1.547,35 154.173,36 1.046,37 0.245,38 0.245,39 3.798,40 12.859,41 373,42 9.409,43 13.591,44 4.917,45 14.182,46 175,47 4.315,48 4.315,49 2.993,51 1.533,52 1.726,53 1.533,54 8.26,55 8.26,56 324.314,57 38.284,58 3.568,59 22.129,60 724.201,61 7765.13,62 99.178,63 4396,64 65,65 21.194,66 1.551,67 1.551,68 15.238,69 2.914,70 5.9}
{0 CHEMBL1969942,2 5,3 1.06,4 141.141,5 8,6 2.289,8 3.303,9 56.5,10 1.683,11 8.054,12 15452,13 17.062,14 28626,15 2.802,16 4.729,17 4.729,18 1,19 5.62,20 3.806,21 14.729,22 118.211,23 17.933,24 12.276,25 79.233,26 3.224,27 4.543,28 1,29 1.5,30 3.411,31 1.165,32 44.063,33 16.5,34 1.541,35 171.815,36 1.275,37 1,38 1,39 3.971,40 13.662,41 682,42 10.886,43 15.028,44 5.639,45 25.982,46 308,47 5.728,48 5.728,49 3.064,51 1.755,52 2.388,53 1.755,54 7.794,55 7.794,56 422.775,57 43.8,58 3.653,59 12.568,60 1214.74,61 15890.8,62 130.088,63 8841,64 114,65 25.722,66 2.113,67 2.113,68 17.981,69 2.857,70 5.5}
{0 CHEMBL1970104,2 5,3 0.478,4 76.993,5 4,6 1.546,8 3.148,9 46,10 1.644,11 7.609,12 7053,13 15.32,14 10558,15 2.756,16 4.334,17 4.334,18 0.418,19 6.216,20 3.589,21 12.672,22 93.353,23 15.32,24 10.521,25 64.851,26 3.044,27 4.524,28 0.386,29 0.601,30 3.294,31 0.969,32 39.053,33 14,34 1.534,35 160.992,36 1.01,37 0.407,38 0.407,39 3.711,40 12.936,41 420,42 10.577,43 12.478,44 4.528,45 15.752,46 190,47 4.888,48 4.888,49 2.952,51 1.546,52 2.301,53 1.546,54 9.336,55 9.336,56 293.291,57 39.277,58 3.82,59 11.362,60 750.764,61 7973.99,62 99.845,63 4745,64 70,65 21.356,66 1.636,67 1.636,68 14.817,69 2.772,70 8.2}
{0 CHEMBL1970142,1 1,2 10,3 1.944,4 169.869,5 9,6 2.654,7 6.332,8 3.668,9 81.5,10 1.784,11 9.163,12 39514,13 27.164,14 68947,15 3.385,16 6.951,17 6.951,18 1.576,19 6.259,20 3.884,21 21.33,22 187.421,23 26.811,24 18.788,25 118.844,26 3.515,27 5.354,28 1.372,29 1.951,30 3.798,31 1.793,32 65.47,33 24.5,34 2.461,35 281.385,36 2.238,37 1.414,38 1.414,39 4.563,40 21.966,41 1362,42 17.286,43 22.187,44 8.306,45 56.593,46 629,47 7.529,48 7.529,49 3.386,50 3,51 2.353,52 3.018,53 2.353,54 9.184,55 9.184,56 591.017,57 66.36,58 3.76,59 35.162,60 2916.69,61 50214.5,62 214.303,63 23726,64 207,65 35.027,66 2.545,67 2.545,68 26.098,69 3.409,70 5.9}
{0 CHEMBL1970203,2 4,3 1.757,4 138.588,5 9,6 2.248,7 5.9,8 3.471,9 67,10 1.73,11 8.567,12 24354,13 22.311,14 43609,15 3.067,16 5.896,17 5.896,18 1.14,19 5.72,20 3.841,21 17.53,22 140.825,23 21.957,24 15.339,25 97.428,26 3.432,27 5.033,28 1,29 1.502,30 3.449,31 1.666,32 52.879,33 20.25,34 2.147,35 224.856,36 2.086,37 1.016,38 1.016,39 4.274,40 17.709,41 909,42 14.497,43 17.645,44 6.694,45 34.127,46 419,47 6.522,48 6.522,49 3.155,51 2.034,52 2.807,53 2.034,54 7.878,55 7.878,56 510.081,57 52.801,58 3.674,59 20.18,60 1826.05,61 27704.6,62 165.01,63 14103,64 158,65 29.809,66 2.265,67 2.265,68 21.08,69 3.288,70 5.9}
{0 CHEMBL1970217,2 2,3 1.109,4 122.045,5 3,6 1.851,8 3.303,9 55,10 1.686,11 8.071,12 13082,13 18.518,14 21258,15 2.948,16 4.169,17 4.169,18 1,19 5.941,20 3.71,21 14.043,22 118.211,23 18.518,24 12.58,25 78.079,26 3.098,27 4.364,28 0.888,29 1.191,30 3.386,31 1.056,32 42.515,33 15.75,34 1.619,35 161.148,36 1.151,37 0.887,38 0.887,39 3.942,40 15.192,41 643,42 10.992,43 15.321,44 5.861,45 25.112,46 303,47 5.832,48 5.832,49 3,51 1.542,52 2.07,53 1.542,54 8.336,55 8.336,56 357.957,57 42.969,58 3.693,59 17.63,60 1193.86,61 15367.7,62 129.158,63 8151,64 108,65 25.485,66 2.078,67 2.078,68 17.858,69 2.988,70 5.9}
{0 CHEMBL1970290,2 12,3 1.618,4 136.54,5 10,6 2.782,8 3.693,9 83,10 1.797,11 9.284,12 35065,13 27.993,14 53450,15 3.315,16 6.643,17 6.643,18 1.558,19 6.503,20 3.779,21 21.189,22 193.376,23 27.993,24 18.689,25 116.119,26 3.497,27 5.271,28 1.276,29 1.9,30 3.612,31 1.618,32 64.743,33 24.5,34 2.324,35 252.643,36 1.812,37 1.324,38 1.324,39 4.339,40 23.415,41 1198,42 17.212,43 23.255,44 8.639,45 51.428,46 567,47 6.952,48 6.952,49 3.415,51 2.378,52 2.798,53 2.378,54 10.181,55 10.181,56 517.814,57 64.742,58 3.966,59 46.321,60 2966.32,61 51274.1,62 219.299,63 23276,64 193,65 35.344,66 2.443,67 2.443,68 26.423,69 3.392,70 6}
{0 CHEMBL1970314,1 2,2 5,3 0.14,4 128.298,5 4,6 1.552,7 11.256,8 3.059,9 42.5,10 1.624,11 7.371,12 5783,13 14.113,14 9785,15 2.694,16 3.578,17 3.578,18 -0.239,19 5.579,20 3.44,21 10.976,22 86.439,23 14.113,24 9.648,25 59.496,26 2.87,27 4.175,28 -0.401,29 -0.528,30 3.223,31 0.7,32 33.909,33 12.25,34 1.341,35 130.325,36 0.869,37 -0.418,38 -0.418,39 3.909,40 10.706,41 306,42 8.88,43 11.314,44 4.361,45 12.67,46 143,47 4.148,48 4.148,49 2.813,50 5,51 1.434,52 2.086,53 1.434,54 7.089,55 7.089,56 293.172,57 34.25,58 3.356,59 10.289,60 565.864,61 5653.42,62 86.436,63 3367,64 55,65 19.384,66 1.536,67 1.536,68 13.489,69 2.739,70 6}
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{0 CHEMBL1977346,2 2,3 -0.056,4 64.344,5 2,6 1.485,8 2.911,9 36.4,10 1.576,11 6.903,12 4181,13 13.328,14 7973,15 2.45,16 3.106,17 3.106,18 -0.291,19 5.183,20 3.673,21 10.116,22 69.487,23 11.828,24 9.103,25 65.293,26 2.902,27 3.842,28 -0.727,29 -1.127,30 3.196,32 29.821,33 11.25,34 1.29,35 168.716,36 0.447,37 -0.789,38 -0.789,39 3.472,40 10.725,41 234,42 8.82,43 9.897,44 3.667,45 8.512,46 107,47 3.723,48 3.723,49 2.765,51 1.364,52 1.912,53 1.364,54 6.235,55 6.235,56 332.395,57 29.325,58 3.131,59 26.464,60 370.017,61 3209.82,62 67.771,63 2118,64 43,65 16.482,66 1.446,67 1.446,68 11.914,69 2.685,70 6.9}
{0 CHEMBL1977634,2 10,3 1.618,4 144.589,5 5,6 2.798,7 5.122,8 3.589,9 76,10 1.771,11 8.973,12 28671,13 25.165,14 49701,15 3.273,16 6.332,17 6.332,18 1.504,19 6.493,20 3.75,21 19.063,22 168.77,23 25.165,24 16.63,25 104.063,26 3.486,27 5.208,28 1.259,29 1.777,30 3.561,31 1.618,32 60.883,33 21.75,34 2.728,35 236.598,36 1.844,37 1.265,38 1.265,39 4.741,40 19.74,41 963,42 16.086,43 20.008,44 7.5,45 40.682,46 452,47 7.15,48 7.15,49 3.372,50 2,51 2.187,52 2.745,53 2.187,54 10.13,55 10.13,56 549.634,57 59.402,58 3.921,59 34.094,60 2276.93,61 35586.3,62 189.019,63 16875,64 155,65 32.148,66 2.505,67 2.505,68 23.101,69 3.37,70 5.5}
{0 CHEMBL1977681,2 1,3 0.423,4 79.477,5 3,6 1.56,8 3.012,9 42,10 1.606,11 7.198,12 5772,13 12.889,14 10678,15 2.604,16 3.256,17 3.256,18 0.086,19 5.823,20 3.475,21 10.82,22 80.711,23 13.405,24 9.2,25 62.208,26 2.832,27 4.061,28 -0.247,29 -0.368,30 3.217,31 0.234,32 33.246,33 12,34 1.26,35 158.559,36 1.001,37 -0.286,38 -0.286,39 3.665,40 10.845,41 311,42 8.322,43 11.106,44 4.222,45 12.925,46 146,47 3.779,48 3.779,49 2.733,51 1.414,52 2.016,53 1.414,54 7.77,55 7.77,56 361.064,57 33.812,58 3.445,59 6.345,60 520.308,61 4959.53,62 80.999,63 3022,64 52,65 18.625,66 1.414,67 1.414,68 13.281,69 2.768,70 6.4}
{0 CHEMBL1977749,2 3,3 1,4 109.134,5 1,6 1.849,8 3.105,9 44.5,10 1.64,11 7.517,12 6345,13 14.656,14 10270,15 2.687,16 3.202,17 3.202,18 0.385,19 5.735,20 3.466,21 11.54,22 88.239,23 14.656,24 10.33,25 64.061,26 3.002,27 3.868,28 -0.068,29 -0.087,30 3.281,31 0.981,32 36.353,33 12.5,34 1.488,35 135.922,36 1.147,37 -0.07,38 -0.07,39 3.674,40 11.49,41 345,42 8.605,43 12.561,44 4.861,45 14.095,46 162,47 4.548,48 4.548,49 2.87,51 1.427,52 2.047,53 1.427,54 7.675,55 7.675,56 300.087,57 35.043,58 3.392,59 15.05,60 639.328,61 6629.63,62 92.608,63 3829,64 60,65 20.295,66 1.618,67 1.618,68 14.893,69 2.719,70 5.5}
{0 CHEMBL1977814,3 0.838,4 54.587,6 2.145,8 3.149,9 47.833,10 1.657,11 7.669,12 6895,13 16.516,14 11165,15 2.832,16 5.003,17 5.003,18 0.473,19 6.118,20 3.532,21 12.375,22 92.107,23 16.016,24 10.685,25 68.647,26 3.131,27 4.811,28 -0.153,29 -0.232,30 3.374,31 0.738,32 40.285,33 14.25,34 2.081,35 171.478,36 1.306,37 -0.196,38 -0.196,39 3.885,40 13.809,41 326,42 10.493,43 12.792,44 4.722,45 14.917,46 156,47 5.241,48 5.241,49 2.994,51 1.707,52 2.226,53 1.707,54 8.602,55 8.602,56 377.59,57 39.782,58 3.485,59 30.11,60 679.518,61 7178.48,62 97.28,63 3986,64 59,65 20.738,66 2.157,67 2.157,68 14.587,69 2.916,70 6.6}
{0 CHEMBL1978014,2 2,3 1.48,4 144.272,5 2,6 2.218,7 6.187,8 3.472,9 66.5,10 1.733,11 8.579,12 20726,13 21.372,14 34024,15 2.937,16 6.093,17 6.093,18 1.192,19 6.099,20 3.767,21 17.769,22 145.58,23 21.372,24 15.081,25 94.512,26 3.345,27 5.055,28 1.051,29 1.5,30 3.7,31 1.433,32 53.96,33 20.25,34 2.054,35 221.395,36 1.649,37 1.062,38 1.062,39 4.208,40 17.478,41 929,42 13.836,43 18.647,44 6.667,45 36.959,46 418,47 6.572,48 6.572,49 3.197,50 2,51 2.153,52 2.645,53 2.153,54 8.79,55 8.79,56 446.61,57 54.429,58 3.733,59 24.71,60 1792.28,61 25736.9,62 162.489,63 13421,64 142,65 29.45,66 2.322,67 2.322,68 21.482,69 3.171,70 5.9}
{0 CHEMBL1978099,2 4,3 1.408,4 137.668,5 3,6 2.479,7 5.226,8 3.502,9 72.5,10 1.741,11 8.671,12 27894,13 22.683,14 53434,15 3.016,16 6.324,17 6.324,18 1.294,19 5.606,20 3.797,21 17.693,22 154,23 23.303,24 15.635,25 105.689,26 3.527,27 5.142,28 1,29 1.5,30 3.694,31 1.294,32 53.039,33 21,34 2.447,35 251.203,36 1.699,37 1,38 1,39 4.822,40 18.033,41 936,42 15.345,43 18.074,44 6.972,45 39.637,46 451,47 6.673,48 6.673,49 3.355,50 1,51 2.227,52 2.837,53 2.227,54 7.675,55 7.675,56 608.842,57 52.172,58 3.602,59 23.287,60 1967.18,61 30254.4,62 171.597,63 14483,64 157,65 30.486,66 2.343,67 2.343,68 21.412,69 3.129,70 5.9}
{0 CHEMBL1978166,1 1,2 9,3 1.85,4 144.535,5 11,6 2.37,7 11.854,8 3.667,9 79.5,10 1.782,11 9.148,12 39283,13 27.098,14 60733,15 3.38,16 5.71,17 5.71,18 1.521,19 5.63,20 3.805,21 20.852,22 193.421,23 26.744,24 19,25 118.308,26 3.527,27 4.903,28 1.317,29 1.73,30 3.649,31 1.683,32 60.972,33 22.75,34 2.265,35 248.369,36 1.889,37 1.335,38 1.335,39 4.459,40 22.665,41 1491,42 16.434,43 22.958,44 8.639,45 69.269,46 705,47 6.76,48 6.76,49 3.509,50 4,51 2.09,52 2.776,53 2.09,54 7.806,55 7.806,56 493.436,57 61.137,58 3.66,59 34.889,60 3043.62,61 55856,62 218.223,63 25777,64 228,65 35.766,66 2.234,67 2.234,68 26.401,69 3.418,70 6.5}
{0 CHEMBL1978167,2 3,3 0.605,4 78.111,5 1,6 1.535,8 3.06,9 41.75,10 1.62,11 7.347,12 6246,13 14.69,14 11113,15 2.663,16 4.301,17 4.301,18 0.045,19 5.819,20 3.933,21 12.2,22 82.439,23 13.69,24 10.298,25 68.624,26 3.144,27 4.415,28 -0.226,29 -0.526,30 3.349,31 0.708,32 35.846,33 13.75,34 1.421,35 177.448,36 0.785,37 -0.409,38 -0.409,39 3.512,40 12.347,41 350,42 9.975,43 11.37,44 4.222,45 12.54,46 156,47 5.35,48 5.35,49 2.896,51 1.535,52 2.302,53 1.535,54 7.782,55 7.782,56 336.93,57 36.682,58 3.317,59 12.794,60 580.393,61 5686.91,62 86.626,63 3581,64 56,65 19.445,66 1.889,67 1.889,68 14.121,69 2.828,70 5.5}
{0 CHEMBL1978195,2 1,3 0.256,4 66.189,5 1,6 1.553,7 5.331,8 3.012,9 39.75,10 1.606,11 7.2,12 5949,13 14.759,14 11490,15 2.687,16 3.471,17 3.471,18 0.115,19 5.599,20 3.765,21 11.055,22 76.711,23 13.405,24 10.133,25 68.707,26 3.147,27 4.023,28 -0.488,29 -0.85,30 3.426,31 0.44,32 32.815,33 11.5,34 1.319,35 177.918,36 0.604,37 -0.628,38 -0.628,39 3.674,40 12.163,41 312,42 9.973,43 10.737,44 4.111,45 12.188,46 146,47 4.444,48 4.444,49 2.768,50 1,51 1.463,52 2.143,53 1.463,54 7.126,55 7.126,56 355.85,57 33.212,58 3.369,59 19.04,60 519.437,61 4946.57,62 80.946,63 3023,64 51,65 18.624,66 1.505,67 1.505,68 13.089,69 2.852,70 5.5}
{0 CHEMBL1978200,3 1.414,4 71.137,5 3,6 2.502,8 3.473,9 69,10 1.743,11 8.634,12 20058,13 20.433,14 35531,15 3,16 6.235,17 6.235,18 1.187,19 6.36,20 3.767,21 17.811,22 151.58,23 22.173,24 13.922,25 93.305,26 3.272,27 5.179,28 1.058,29 1.627,30 3.6,31 1.342,32 52.321,33 21,34 2.058,35 219.691,36 1.491,37 1.107,38 1.107,39 4.329,40 17.395,41 715,42 13.356,43 17.68,44 6.569,45 31.453,46 336,47 7.054,48 7.054,49 3.168,51 2.148,52 2.844,53 2.148,54 9.573,55 9.573,56 535.116,57 53.427,58 3.816,59 29.259,60 1657.88,61 22976,62 158.767,63 11350,64 114,65 28.646,66 2.38,67 2.38,68 20.883,69 3.098,70 5.9}
{0 CHEMBL1978271,2 10,3 1.69,4 136.54,5 10,6 2.414,8 3.668,9 82.5,10 1.791,11 9.206,12 35724,13 27.123,14 59715,15 3.304,16 6.297,17 6.297,18 1.618,19 6.503,20 3.777,21 20.935,22 192.666,23 27.123,24 18.257,25 114.622,26 3.49,27 5.216,28 1.276,29 1.807,30 3.524,31 1.618,32 63.691,33 24,34 2.322,35 246.27,36 1.813,37 1.325,38 1.325,39 4.554,40 21.823,41 1216,42 16.801,43 22.644,44 8.389,45 50.216,46 573,47 6.951,48 6.951,49 3.403,51 2.098,52 2.798,53 2.098,54 10.181,55 10.181,56 553.959,57 62.459,58 3.966,59 42.974,60 2810.98,61 47593.3,62 212.086,63 21833,64 185,65 34.67,66 2.382,67 2.382,68 25.824,69 3.379,70 5.5}
{0 CHEMBL1978371,3 1.47,4 178.965,6 2.784,8 3.442,9 62.833,10 1.74,11 8.574,12 16957,13 21.587,14 30353,15 2.982,16 5.606,17 5.606,18 1.323,19 6.056,20 3.834,21 16.392,22 135.207,23 21.087,24 14.885,25 92.263,26 3.379,27 4.982,28 1,29 1.5,30 3.674,31 1.223,32 54.633,33 17.5,34 2.195,35 204.076,36 1.771,37 1,38 1,39 4.349,40 16.842,41 591,42 13.155,43 17.817,44 6.722,45 26.667,46 275,47 6.245,48 6.245,49 3.21,51 1.959,52 2.67,53 1.959,54 8.626,55 8.626,56 472.812,57 51.759,58 3.695,59 26.531,60 1442.57,61 19240.9,62 149.567,63 9725,64 100,65 27.495,66 2.262,67 2.262,68 20.641,69 3.239,70 6}
{0 CHEMBL1978448,3 0.847,4 79.779,5 2,6 2.352,8 3.19,9 50.5,10 1.66,11 7.759,12 9077,13 16.44,14 16200,15 2.719,16 6.35,17 6.35,18 0.662,19 5.964,20 3.716,21 13.315,22 100.042,23 16.19,24 11.826,25 77.572,26 3.226,27 5.256,28 0.116,29 0.146,30 3.641,31 0.826,32 42.704,33 15.5,34 1.577,35 216.101,36 1.039,37 0.118,38 0.118,39 3.924,40 13.507,41 412,42 12.489,43 13.414,44 4.722,45 15.618,46 187,47 6.636,48 6.636,49 3.078,51 2.104,52 2.635,53 2.104,54 8.335,55 8.335,56 398.388,57 41.52,58 3.596,59 17.769,60 808.275,61 8992.47,62 105.73,63 5219,64 74,65 22.087,66 2.16,67 2.16,68 15.402,69 2.918,70 5.7}
{0 CHEMBL1978562,2 3,3 0.809,4 88.422,5 1,6 2.257,8 3.148,9 46.25,10 1.648,11 7.628,12 8446,13 16.267,14 15901,15 2.828,16 4.978,17 4.978,18 0.608,19 5.821,20 3.941,21 13.132,22 98.107,23 15.267,24 11.23,25 74.568,26 3.154,27 4.861,28 0.397,29 0.682,30 3.485,31 0.753,32 41.601,33 15,34 1.698,35 190.114,36 1.349,37 0.448,38 0.448,39 3.757,40 13.217,41 413,42 10.778,43 12.624,44 4.722,45 15.479,46 187,47 5.847,48 5.847,49 2.9,51 1.638,52 2.338,53 1.638,54 7.801,55 7.801,56 390.909,57 40.112,58 3.411,59 12.744,60 733.361,61 7742.32,62 99.114,63 4581,64 65,65 21.196,66 2.063,67 2.063,68 15.449,69 2.936,70 6.1}
{0 CHEMBL1978567,2 2,3 1.016,4 85.418,5 2,6 1.726,8 3.267,9 53.5,10 1.679,11 7.977,12 11901,13 18.165,14 20248,15 2.953,16 4.063,17 4.063,18 1,19 5.991,20 3.723,21 13.993,22 112.096,23 17.811,24 12.488,25 79.57,26 3.074,27 4.339,28 0.642,29 1.02,30 3.397,31 0.983,32 41.442,33 15.75,34 1.621,35 185.312,36 1.148,37 0.722,38 0.722,39 3.815,40 15.132,41 572,42 11.278,43 14.744,44 5.611,45 21.872,46 269,47 5.386,48 5.386,49 2.955,51 1.653,52 2.254,53 1.653,54 8.451,55 8.451,56 394.148,57 41.779,58 3.608,59 23.807,60 1063.76,61 13017.7,62 121.309,63 7003,64 94,65 24.414,66 1.944,67 1.944,68 17.378,69 3,70 5.5}
{0 CHEMBL1979057,2 7,3 1.327,4 126.587,5 9,6 1.962,8 3.304,9 55,10 1.684,11 8.063,12 13734,13 17.51,14 24113,15 2.792,16 5.132,17 5.132,18 1.086,19 6.044,20 3.757,21 15.191,22 118.211,23 17.51,24 12.776,25 78.912,26 3.264,27 4.839,28 1,29 1.5,30 3.34,31 1.338,32 46.634,33 17.25,34 1.728,35 186.181,36 1.41,37 1,38 1,39 3.853,40 13.913,41 657,42 11.636,43 15.46,44 5.556,45 22.769,46 287,47 5.776,48 5.776,49 3.179,51 1.705,52 2.368,53 1.705,54 8.583,55 8.583,56 377.93,57 46.372,58 3.695,59 11.784,60 1173.81,61 14843.8,62 128.323,63 8543,64 109,65 25.344,66 1.984,67 1.984,68 18.308,69 2.946,70 6.1}
{0 CHEMBL1979176,2 2,3 1.094,4 88.103,5 6,6 2.027,8 3.304,9 60.5,10 1.689,11 8.087,12 15815,13 16.234,14 32003,15 2.856,16 5.125,17 5.125,18 0.995,19 5.55,20 3.512,21 14.803,22 117.457,23 18.734,24 11.152,25 79.849,26 3.225,27 4.75,28 0.41,29 0.536,30 3.374,31 1.035,32 42.496,33 17.5,34 1.843,35 179.122,36 1.189,37 0.477,38 0.477,39 4.652,40 13.464,41 600,42 9.917,43 14.983,44 5.639,45 21.633,46 285,47 6.019,48 6.019,49 2.93,51 1.794,52 2.515,53 1.794,54 7.563,55 7.563,56 542.433,57 42.813,58 3.543,59 11.384,60 1165.68,61 14742.6,62 128.068,63 7745,64 103,65 25.188,66 2.111,67 2.111,68 17.737,69 2.985,70 5.9}
{0 CHEMBL1979252,2 4,3 1.152,4 76.252,5 2,6 2.269,8 3.267,9 58,10 1.68,11 7.982,12 14546,13 15.527,14 29912,15 2.687,16 4.5,17 4.5,18 1,19 5.414,20 3.741,21 13.966,22 107.342,23 18.027,24 10.648,25 75.922,26 3.039,27 4.822,28 0.609,29 0.773,30 3.375,31 1.08,32 42.252,33 16.25,34 1.929,35 175.205,36 1.27,37 0.616,38 0.616,39 4.704,40 12.724,41 544,42 9.501,43 14.45,44 5.361,45 21.267,46 258,47 4.891,48 4.891,49 2.919,51 1.608,52 2.11,53 1.608,54 7.145,55 7.145,56 521.468,57 41.933,58 3.468,59 11.105,60 1060.19,61 13202.8,62 121.686,63 7061,64 95,65 24.426,66 1.705,67 1.705,68 16.696,69 2.842,70 5.9}
{0 CHEMBL1979357,2 2,3 1.138,4 101.237,5 2,6 1.866,7 6.19,8 3.34,9 56,10 1.701,11 8.208,12 13293,13 18.64,14 21446,15 2.871,16 5.006,17 5.006,18 1,19 5.517,20 3.763,21 15.141,22 120.382,23 18.64,24 13.258,25 81.563,26 3.275,27 4.788,28 0.983,29 1.451,30 3.405,31 1.139,32 44.647,33 17,34 1.513,35 174.495,36 1.204,37 1,38 1,39 3.902,40 15.286,41 645,42 11.435,43 16.051,44 6.056,45 24.513,46 294,47 5.937,48 5.937,49 3.224,50 2,51 1.799,52 2.564,53 1.799,54 7.288,55 7.288,56 338.85,57 45.955,58 3.542,59 24.16,60 1250.4,61 15996.5,62 133.71,63 8628,64 102,65 25.935,66 1.936,67 1.936,68 19.021,69 3.111,70 5.9}
{0 CHEMBL1979516,1 1,2 7,3 1.51,4 155.175,5 11,6 2.36,7 6.133,8 3.502,9 70,10 1.741,11 8.669,12 26109,13 22.148,14 48536,15 3.102,16 5.71,17 5.71,18 1.275,19 5.724,20 3.806,21 17.962,22 156,23 22.665,24 15.517,25 101.316,26 3.389,27 4.985,28 1.028,29 1.582,30 3.572,31 1.478,32 53.983,33 20.5,34 2.283,35 234.271,36 1.705,37 1.086,38 1.086,39 4.58,40 17.924,41 948,42 13.853,43 18.715,44 7.083,45 38.219,46 442,47 6.998,48 6.998,49 3.222,50 2,51 2.092,52 2.778,53 2.092,54 7.836,55 7.836,56 548.926,57 54.609,58 3.685,59 21.401,60 1942.12,61 29196.9,62 170.478,63 14481,64 154,65 30.325,66 2.326,67 2.326,68 22.07,69 3.369,70 7.9}
{0 CHEMBL1979690,2 1,3 1.534,4 96.67,6 2.414,8 3.471,9 66.333,10 1.731,11 8.574,12 22907,13 21.709,14 39270,15 3.016,16 6.123,17 6.123,18 1.146,19 6.097,20 3.876,21 18.435,22 145.58,23 21.209,24 15.425,25 97.897,26 3.343,27 5.058,28 1.049,29 1.622,30 3.625,31 1.335,32 52.669,33 21.75,34 2.184,35 226.477,36 1.584,37 1.093,38 1.093,39 3.995,40 17.895,41 966,42 14.19,43 18.66,44 6.667,45 35.696,46 431,47 6.549,48 6.549,49 3.178,51 2.204,52 2.672,53 2.204,54 8.912,55 8.912,56 476.78,57 53.116,58 3.771,59 26.036,60 1825.36,61 27136.1,62 164.265,63 14292,64 149,65 29.755,66 2.303,67 2.303,68 21.919,69 3.297,70 6.2}
{0 CHEMBL1979773,2 10,3 1.618,4 144.937,5 9,6 2.371,7 5.608,8 3.616,9 77,10 1.779,11 9.066,12 28089,13 25.872,14 44929,15 3.245,16 6.476,17 6.476,18 1.481,19 6.509,20 3.785,21 19.684,22 179.362,23 25.872,24 17.168,25 106.938,26 3.488,27 5.268,28 1.275,29 1.79,30 3.53,31 1.618,32 61.247,33 22.75,34 2.185,35 240.142,36 1.8,37 1.301,38 1.301,39 4.354,40 21.078,41 986,42 16.246,43 21.047,44 7.833,45 39.944,46 464,47 7.047,48 7.047,49 3.407,50 1,51 2.201,52 2.862,53 2.201,54 10.2,55 10.2,56 502.487,57 60.871,58 4,59 42.552,60 2398.03,61 38184.6,62 195.658,63 17881,64 160,65 32.77,66 2.413,67 2.413,68 24.071,69 3.364,70 5.5}
{0 CHEMBL1979883,1 1,2 8,3 1.724,4 161.327,5 10,6 2.541,7 6.238,8 3.531,9 69.5,10 1.749,11 8.755,12 26112,13 23.725,14 43294,15 3.169,16 5.71,17 5.71,18 1.24,19 5.63,20 3.805,21 18.507,22 158.465,23 23.372,24 16.356,25 102.871,26 3.431,27 4.903,28 1.142,29 1.728,30 3.59,31 1.596,32 55.323,33 20.75,34 2.289,35 231.701,36 1.924,37 1.172,38 1.172,39 4.251,40 19.585,41 1025,42 15.141,43 19,44 7.222,45 43.826,46 480,47 6.761,48 6.761,49 3.245,50 3,51 2.176,52 2.777,53 2.176,54 7.806,55 7.806,56 484.016,57 55.369,58 3.66,59 32.081,60 2116.01,61 33059.7,62 178.49,63 16166,64 166,65 31.298,66 2.266,67 2.266,68 22.539,69 3.381,70 7.7}
{0 CHEMBL1980142,2 3,3 1.189,4 81.453,5 6,6 2.272,8 3.374,9 68,10 1.71,11 8.31,12 20688,13 15.527,14 46703,15 2.787,16 5.401,17 5.401,18 1.155,19 6.47,20 3.562,21 16.149,22 125.096,23 20.527,24 10.631,25 85.078,26 3.257,27 4.845,28 0.942,29 1.384,30 3.409,31 1.266,32 45.222,33 18.75,34 1.844,35 205.064,36 1.438,37 1,38 1,39 7.431,40 13.689,41 619,42 9.641,43 15.656,44 5.833,45 23.464,46 296,47 6.752,48 6.752,49 3.038,51 1.882,52 2.483,53 1.882,54 9.972,55 9.972,56 684.444,57 46.875,58 3.859,59 8.115,60 1354.06,61 17975.3,62 140.668,63 9094,64 113,65 26.616,66 2.21,67 2.21,68 18.449,69 3.218,70 5.9}
{0 CHEMBL1980144,2 5,3 1.472,4 144.879,5 7,6 2.24,7 5.893,8 3.44,9 65,10 1.721,11 8.473,12 22568,13 21.441,14 41314,15 2.965,16 5.675,17 5.675,18 1.14,19 5.783,20 3.829,21 17.006,22 138.452,23 21.087,24 14.962,25 95.166,26 3.422,27 5.033,28 1,29 1.502,30 3.447,31 1.375,32 51.218,33 19.75,34 2.087,35 219.022,36 1.669,37 1.016,38 1.016,39 4.274,40 16.787,41 874,42 13.736,43 17.247,44 6.556,45 32.267,46 401,47 6.464,48 6.464,49 3.131,51 1.993,52 2.805,53 1.993,54 7.891,55 7.891,56 500.779,57 51.084,58 3.669,59 17.187,60 1688.81,61 24850.2,62 157.731,63 12858,64 147,65 28.986,66 2.214,67 2.214,68 20.681,69 3.277,70 5.9}
{0 CHEMBL1980167,2 4,3 1.589,4 192.198,5 5,6 2.503,7 5.665,8 3.589,9 77,10 1.774,11 8.99,12 29916,13 25.415,14 55106,15 3.237,16 6.831,17 6.831,18 1.315,19 6.059,20 3.885,21 19.506,22 161.525,23 25.165,24 17.44,25 113.054,26 3.672,27 5.365,28 1.075,29 1.652,30 3.728,31 1.478,32 60.085,33 22.5,34 2.377,35 281.765,36 1.715,37 1.099,38 1.099,39 4.716,40 19.729,41 870,42 17.381,43 19.514,44 7.486,45 40.514,46 411,47 7.988,48 7.988,49 3.483,51 2.414,52 3.271,53 2.414,54 8.748,55 8.748,56 621.634,57 59.629,58 3.8,59 29.671,60 2219.95,61 34792.6,62 188.115,63 16419,64 152,65 31.987,66 2.525,67 2.525,68 23.322,69 3.402,70 5.7}
{0 CHEMBL1980246,2 3,3 0.778,4 84.938,5 2,6 1.748,7 5.584,8 3.146,9 47.5,10 1.643,11 7.605,12 8485,13 15.364,14 14545,15 2.687,16 3.836,17 3.836,18 0.448,19 5.496,20 3.616,21 12.326,22 94.107,23 15.364,24 10.758,25 67.206,26 2.965,27 4.204,28 0.155,29 0.2,30 3.159,31 0.936,32 35.345,33 14.5,34 1.292,35 139.32,36 1,37 0.169,38 0.169,39 3.934,40 11.769,41 442,42 9.251,43 12.974,44 4.972,45 16.793,46 207,47 4.292,48 4.292,49 2.851,50 1,51 1.531,52 2.021,53 1.531,54 7.349,55 7.349,56 327.259,57 36.023,58 3.395,59 9.892,60 781.172,61 8677.48,62 101.722,63 4967,64 75,65 21.795,66 1.716,67 1.716,68 15.459,69 2.779,70 5.5}
{0 CHEMBL1980297,1 1,2 8,3 1.609,4 162.703,5 9,6 2.437,7 6.268,8 3.588,9 76.5,10 1.763,11 8.927,12 33887,13 23.847,14 64015,15 3.228,16 6.765,17 6.765,18 1.321,19 5.785,20 3.873,21 20.141,22 175.525,23 24.363,24 17.073,25 111.392,26 3.446,27 5.359,28 1.166,29 1.73,30 3.794,31 1.63,32 59.551,33 22.75,34 2.309,35 261.439,36 1.928,37 1.183,38 1.183,39 4.661,40 19.22,41 1159,42 15.315,43 20.586,44 7.667,45 46.766,46 530,47 7.139,48 7.139,49 3.251,50 3,51 2.235,52 2.937,53 2.235,54 7.932,55 7.932,56 593.393,57 60.467,58 3.699,59 27.203,60 2402.86,61 38679.2,62 192.079,63 18999,64 179,65 32.716,66 2.426,67 2.426,68 24.435,69 3.377,70 8.2}
{0 CHEMBL1980329,2 5,3 0.92,4 117.294,5 4,6 1.885,8 3.189,9 49,10 1.656,11 7.726,12 9479,13 15.811,14 16681,15 2.687,16 4.964,17 4.964,18 0.618,19 5.536,20 3.749,21 13.074,22 100.042,23 15.811,24 11.204,25 69.238,26 2.894,27 4.757,28 0.585,29 0.927,30 3.358,31 1,32 40.296,33 14.5,34 1.513,35 157.485,36 1,37 0.618,38 0.618,39 3.817,40 12.206,41 504,42 10.28,43 13.445,44 4.944,45 20.412,46 227,47 5.969,48 5.969,49 2.825,51 1.7,52 2.214,53 1.7,54 7.282,55 7.282,56 342.961,57 39.799,58 3.483,59 11.451,60 864.229,61 9641.66,62 107.27,63 5636,64 80,65 22.559,66 2,67 2,68 15.876,69 2.815,70 6.1}
{0 CHEMBL1980376,2 3,3 -0.358,4 118.525,5 3,6 1.213,7 5.848,8 2.911,9 36,10 1.576,11 6.9,12 3572,13 11.828,14 5641,15 2.299,16 2.803,17 2.803,18 -0.485,19 5.052,20 3.274,21 9.472,22 67.487,23 11.828,24 8.254,25 51.175,26 2.856,27 3.81,28 -0.554,29 -0.756,30 3.01,31 -0.361,32 28.7,33 10.5,34 1.121,35 117.039,36 -0.131,37 -0.574,38 -0.574,39 3.34,40 9.474,41 217,42 7.519,43 9.654,44 3.694,45 8.339,46 100,47 3.961,48 3.961,49 2.859,50 3,51 1.189,52 1.736,53 1.189,54 5.992,55 5.992,56 245.766,57 29.995,58 3.155,59 8.069,60 370.535,61 3298.05,62 68.232,63 2165,64 39,65 16.578,66 1.474,67 1.474,68 11.628,69 2.608,70 4.2}
{0 CHEMBL1980391,2 3,3 1.225,4 100.247,5 4,6 2.151,8 3.269,9 54.833,10 1.692,11 8.048,12 10586,13 17.181,14 19663,15 2.929,16 4.916,17 4.916,18 0.892,19 6.189,20 3.779,21 14.558,22 116.096,23 17.552,24 11.958,25 79.36,26 3.207,27 4.824,28 0.492,29 0.695,30 3.305,31 1.202,32 43.779,33 16.5,34 1.947,35 195.406,36 1.381,37 0.554,38 0.554,39 4.174,40 14.279,41 419,42 10.921,43 14.619,44 5.444,45 17.302,46 193,47 6.201,48 6.201,49 2.92,51 1.68,52 2.223,53 1.68,54 9.12,55 9.12,56 462.322,57 44.971,58 3.778,59 25.853,60 909.763,61 10518.5,62 115.77,63 5772,64 72,65 23.203,66 2.059,67 2.059,68 17.468,69 3.017,70 7}
{0 CHEMBL1980407,2 6,3 1.487,4 144.676,5 4,6 2.493,7 6.255,8 3.532,9 70,10 1.75,11 8.768,12 25958,13 22.623,14 44073,15 2.929,16 6.242,17 6.242,18 1.252,19 5.552,20 3.843,21 18.803,22 162.465,23 22.623,24 16.153,25 100.055,26 3.448,27 5.235,28 1.212,29 1.739,30 3.744,31 1.422,32 56.56,33 21,34 2.193,35 218.087,36 1.619,37 1.229,38 1.229,39 4.353,40 17.993,41 1021,42 14.475,43 19.746,44 7.194,45 40.386,46 460,47 6.848,48 6.848,49 3.406,50 3,51 2.109,52 2.751,53 2.109,54 7.418,55 7.418,56 461.742,57 55.39,58 3.617,59 23.652,60 2081.96,61 32197.2,62 177.663,63 16367,64 160,65 31.195,66 2.369,67 2.369,68 23.032,69 3.334,70 7.8}
{0 CHEMBL1980489,2 3,3 1,4 76.567,5 2,6 2.232,8 3.146,9 47.833,10 1.644,11 7.605,12 9704,13 16.027,14 18545,15 2.687,16 4.496,17 4.496,18 0.772,19 5.403,20 3.743,21 12.265,22 90.107,23 15.527,24 10.937,25 69.58,26 2.887,27 4.822,28 0.108,29 0.15,30 3.408,31 0.983,32 38.071,33 14.25,34 1.607,35 153.487,36 1,37 0.117,38 0.117,39 3.943,40 12.224,41 471,42 9.897,43 12.888,44 4.861,45 17.636,46 220,47 4.768,48 4.768,49 2.735,51 1.58,52 2.006,53 1.58,54 7.084,55 7.084,56 394.985,57 37.132,58 3.461,59 11.392,60 792.522,61 8951.65,62 102.359,63 5121,64 75,65 21.969,66 1.613,67 1.613,68 15.109,69 2.838,70 5.9}
{0 CHEMBL1980540,2 4,3 1.189,4 81.768,5 5,6 1.845,8 3.267,9 57.833,10 1.679,11 7.98,12 14634,13 16.027,14 31136,15 2.735,16 4.361,17 4.361,18 0.69,19 5.7,20 3.617,21 14.413,22 111.342,23 18.027,24 10.92,25 78.736,26 3.241,27 4.497,28 0.116,29 0.166,30 3.413,31 1.045,32 41.315,33 16.75,34 1.739,35 185.623,36 1.201,37 0.136,38 0.136,39 4.612,40 13.189,41 517,42 10.012,43 14.093,44 5.333,45 18.806,46 244,47 5.552,48 5.552,49 2.969,51 1.618,52 2.427,53 1.618,54 7.706,55 7.706,56 558.101,57 41.69,58 3.551,59 8.393,60 1040.46,61 12783.5,62 120.95,63 6856,64 94,65 24.24,66 2.004,67 2.004,68 16.838,69 3.203,70 5.9}
{0 CHEMBL1980704,3 1.354,4 101.807,6 2.196,8 3.268,9 52.5,10 1.678,11 7.976,12 11414,13 17.156,14 19547,15 2.795,16 5.393,17 5.393,18 1.121,19 6.144,20 3.784,21 15.257,22 116.096,23 16.803,24 12.747,25 80.69,26 3.268,27 4.966,28 0.81,29 1.254,30 3.477,31 1.346,32 47.416,33 17,34 1.855,35 206.589,36 1.467,37 0.846,38 0.846,39 3.793,40 14.441,41 554,42 11.77,43 14.583,44 5.333,45 19.085,46 242,47 6.263,48 6.263,49 3.242,51 1.77,52 2.398,53 1.77,54 8.843,55 8.843,56 388.839,57 45.127,58 3.6,59 8.805,60 1027.18,61 12266.9,62 119.891,63 7164,64 89,65 24.125,66 2.113,67 2.113,68 17.957,69 3.102,70 5.9}
{0 CHEMBL1980763,2 3,3 1.256,4 61.664,5 4,6 2.169,8 3.34,9 57.833,10 1.699,11 8.198,12 13831,13 19.303,14 22506,15 2.907,16 5.245,17 5.245,18 1.138,19 5.572,20 3.591,21 15.92,22 122.382,23 18.803,24 13.386,25 85.013,26 3.402,27 4.837,28 0.946,29 1.04,30 3.511,31 1.081,32 45.595,33 18.5,34 2.041,35 194.961,36 1.369,37 1,38 1,39 3.927,40 16.383,41 651,42 12.407,43 16.427,44 5.861,45 24.963,46 298,47 6.319,48 6.319,49 3.12,51 1.873,52 2.24,53 1.873,54 7.633,55 7.633,56 403.168,57 45.741,58 3.468,59 22.918,60 1264.25,61 16304.8,62 134.286,63 8779,64 108,65 25.996,66 2.178,67 2.178,68 18.927,69 3.191,70 5.5}
{0 CHEMBL1980896,1 1,2 5,3 1.298,4 134.127,5 5,6 2.392,7 6.056,8 3.374,9 59.083,10 1.705,11 8.282,12 19121,13 21.527,14 37675,15 3.226,16 5.728,17 5.728,18 1,19 5.623,20 4.004,21 16.531,22 130.606,23 19.673,24 14.782,25 98.86,26 3.49,27 4.937,28 1,29 1.5,30 3.822,31 1.141,32 47.936,33 17.75,34 2.205,35 250.378,36 1.455,37 1,38 1,39 4.281,40 17.606,41 728,42 14.587,43 15.963,44 6.056,45 27,46 333,47 6.158,48 6.158,49 3.2,50 3,51 2.038,52 2.747,53 2.038,54 7.787,55 7.787,56 528.368,57 48.427,58 3.595,59 16.66,60 1404.72,61 19048,62 142.315,63 10125,64 125,65 27.062,66 2.175,67 2.175,68 19.482,69 3.399,70 6.1}
{0 CHEMBL1980995,2 2,3 1.901,4 125.034,5 3,6 2.678,8 3.592,9 75,10 1.784,11 9.056,12 19467,13 23.637,14 32464,15 3.134,16 8.42,17 8.42,18 1.705,19 6.984,20 3.781,21 21.485,22 177.525,23 23.637,24 17.08,25 106.923,26 3.401,27 6.05,28 1.418,29 1.997,30 3.658,31 1.703,32 68.73,33 24.75,34 2.532,35 312.869,36 2.011,37 1.435,38 1.435,39 4.253,40 19.884,41 655,42 16.322,43 21.802,44 7.347,45 25.211,46 282,47 8.784,48 8.784,49 3.305,51 2.389,52 3.043,53 2.389,54 11.874,55 11.874,56 517.065,57 71.374,58 4.144,59 47.876,60 1821.68,61 24785.1,62 176.229,63 12834,64 112,65 29.807,66 2.505,67 2.505,68 25.037,69 3.272,70 8.699}
{0 CHEMBL1981047,2 1,3 1.881,4 134.497,5 2,6 2.635,8 3.588,9 76,10 1.763,11 8.928,12 29910,13 24.363,14 49387,15 3.073,16 6.111,17 6.111,18 1.502,19 6.169,20 3.846,21 19.939,22 167.525,23 24.363,24 17.029,25 107.609,26 3.469,27 5.115,28 1.135,29 1.5,30 3.641,31 1.503,32 60.919,33 23.75,34 2.306,35 246.322,36 2.014,37 1.166,38 1.166,39 4.341,40 20.03,41 1173,42 15.23,43 21.71,44 7.694,45 45.249,46 534,47 7.505,48 7.505,49 3.295,51 2.292,52 2.48,53 2.292,54 9.125,55 9.125,56 515.512,57 61.076,58 3.869,59 30.402,60 2403.24,61 38865.2,62 192.327,63 19190,64 181,65 32.756,66 2.389,67 2.389,68 24.521,69 3.268,70 6.6}
{0 CHEMBL1981079,1 2,2 2,3 0.982,4 109.489,5 4,6 2.161,7 10.938,8 3.189,9 51.333,10 1.663,11 7.772,12 10013,13 16.19,14 19922,15 2.796,16 4.585,17 4.585,18 0.342,19 5.903,20 3.691,21 13.023,22 104.042,23 16.56,24 10.83,25 72.181,26 3.193,27 4.667,28 -0.045,29 -0.072,30 3.32,31 0.889,32 39.208,33 15.25,34 1.622,35 166.6,36 1.021,37 -0.057,38 -0.057,39 4.526,40 12.433,41 410,42 10.263,43 12.868,44 4.972,45 17.365,46 194,47 6.008,48 6.008,49 2.828,50 2,51 1.685,52 2.271,53 1.685,54 8.049,55 8.049,56 451.375,57 40.006,58 3.575,59 13.129,60 810.666,61 8991.94,62 105.583,63 4956,64 70,65 22.092,66 2.139,67 2.139,68 15.464,69 2.863,70 5.9}
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{0 CHEMBL1986263,2 1,3 1.259,4 69.334,5 2,6 2.264,8 3.228,9 52,10 1.669,11 7.863,12 10494,13 17.458,14 17855,15 2.904,16 4.766,17 4.766,18 1.151,19 5.662,20 3.679,21 13.662,22 110.039,23 17.104,24 12.026,25 77.29,26 3.111,27 4.76,28 0.369,29 0.482,30 3.22,31 1.035,32 42.505,33 16,34 1.846,35 183.251,36 1.307,37 0.431,38 0.431,39 3.957,40 14.554,41 511,42 10.819,43 14.474,44 5.444,45 19.292,46 242,47 5.507,48 5.507,49 2.985,51 1.679,52 2.189,53 1.679,54 7.845,55 7.845,56 396.104,57 40.512,58 3.534,59 17.426,60 951.346,61 11181.5,62 114.147,63 6074,64 87,65 23.367,66 1.918,67 1.918,68 16.999,69 3.034,70 6.3}
{0 CHEMBL1986265,3 1.251,4 85.544,6 2.528,8 3.339,9 62.333,10 1.694,11 8.165,12 19347,13 17.604,14 39530,15 2.994,16 5.687,17 5.687,18 1.065,19 6.021,20 3.769,21 15.391,22 121.627,23 19.604,24 11.797,25 84.417,26 3.307,27 5.022,28 0.597,29 0.767,30 3.41,31 1.08,32 43.829,33 17.25,34 1.991,35 195.161,36 1.452,37 0.664,38 0.664,39 4.718,40 14.926,41 711,42 11.08,43 15.722,44 5.722,45 29.523,46 338,47 6.634,48 6.634,49 2.999,51 1.992,52 2.293,53 1.992,54 8.628,55 8.628,56 563.447,57 44.262,58 3.769,59 19.712,60 1342.19,61 18338.6,62 137.517,63 9510,64 123,65 26.599,66 2.241,67 2.241,68 17.943,69 3.184,70 5.5}
{0 CHEMBL1986499,2 1,3 1.173,4 170.62,5 4,6 2.075,7 5.995,8 3.409,9 62.5,10 1.727,11 8.452,12 16701,13 18.924,14 30159,15 2.831,16 5.495,17 5.495,18 1,19 5.848,20 3.81,21 16.746,22 132.881,23 19.794,24 13.793,25 88.666,26 3.29,27 4.952,28 1,29 1.5,30 3.663,31 1.281,32 50.41,33 18.25,34 1.939,35 207.566,36 1.35,37 1,38 1,39 4.283,40 15.379,41 605,42 12.268,43 16.811,44 6.25,45 26.904,46 271,47 6.31,48 6.31,49 3.168,50 1,51 1.928,52 2.641,53 1.928,54 8.039,55 8.039,56 459.715,57 51.27,58 3.544,59 20.93,60 1386.99,61 18409,62 144.717,63 9832,64 99,65 27.067,66 2.256,67 2.256,68 20.264,69 2.946,70 5.9}
{0 CHEMBL1986530,2 3,3 1.596,4 75.059,5 3,6 2.59,8 3.532,9 72.5,10 1.751,11 8.775,12 25934,13 21.916,14 46067,15 3.088,16 6.167,17 6.167,18 1.398,19 6.14,20 3.812,21 18.92,22 158.465,23 22.786,24 15.687,25 101.571,26 3.366,27 5.17,28 1.103,29 1.5,30 3.586,31 1.46,32 58.48,33 22.25,34 2.304,35 233.161,36 1.878,37 1.153,38 1.153,39 4.264,40 18.259,41 966,42 13.887,43 20.444,44 7.194,45 36.4,46 435,47 7.242,48 7.242,49 3.304,51 2.046,52 2.575,53 2.046,54 9.043,55 9.043,56 530.637,57 57.156,58 3.76,59 27.454,60 2037.37,61 30730.8,62 176.149,63 15635,64 152,65 30.905,66 2.323,67 2.323,68 23.069,69 3.211,70 5.9}
{0 CHEMBL1986590,2 2,3 0.579,4 106.593,5 4,6 1.546,8 3.059,9 42,10 1.62,11 7.351,12 5887,13 13.527,14 9908,15 2.548,16 3.745,17 3.745,18 0.527,19 5.494,20 3.423,21 11.506,22 86.439,23 13.527,24 9.826,25 60.399,26 2.926,27 4.183,28 -0.101,29 -0.14,30 3.263,31 0.829,32 36.288,33 12.75,34 1.502,35 142.157,36 0.949,37 -0.102,38 -0.102,39 3.678,40 10.682,41 355,42 8.867,43 11.786,44 4.306,45 11.34,46 157,47 4.915,48 4.915,49 2.85,51 1.546,52 2.183,53 1.546,54 6.85,55 6.85,56 287.339,57 35.882,58 3.21,59 9.429,60 580.762,61 5762.84,62 86.92,63 3651,64 57,65 19.535,66 1.669,67 1.669,68 14.014,69 2.751,70 6.3}
{0 CHEMBL1986597,2 2,3 1.791,4 129.656,5 6,6 2.67,7 5.439,8 3.615,9 79.5,10 1.769,11 9.008,12 36559,13 25.536,14 68863,15 3.228,16 6.793,17 6.793,18 1.543,19 6.124,20 3.847,21 20.506,22 176.117,23 25.286,24 18.113,25 117.055,26 3.517,27 5.532,28 1.22,29 1.759,30 3.731,31 1.492,32 63.845,33 23.75,34 2.371,35 302.619,36 1.952,37 1.295,38 1.295,39 4.71,40 19.917,41 1179,42 17.587,43 21.144,44 7.722,45 42.364,46 537,47 7.109,48 7.109,49 3.352,50 1,51 2.224,52 2.945,53 2.224,54 8.953,55 8.953,56 629.921,57 62.479,58 3.841,59 28.611,60 2546.56,61 42245.4,62 199.626,63 20651,64 195,65 33.452,66 2.409,67 2.409,68 24.613,69 3.415,70 5.9}
{0 CHEMBL1986603,2 2,3 1.637,4 89.963,5 5,6 2.371,8 3.501,9 70.5,10 1.738,11 8.652,12 28958,13 22.855,14 53672,15 3.003,16 5.911,17 5.911,18 1.113,19 5.619,20 3.86,21 18.165,22 156,23 22.501,24 15.883,25 102.154,26 3.564,27 5.007,28 0.979,29 1.474,30 3.615,31 1.503,32 53.393,33 21.5,34 2.043,35 235.294,36 1.773,37 1.008,38 1.008,39 4.16,40 18.271,41 1074,42 14.737,43 18.711,44 7,45 43.219,46 494,47 6.083,48 6.083,49 3.453,51 2.161,52 2.808,53 2.161,54 7.787,55 7.787,56 555.016,57 53,58 3.709,59 21.408,60 2032.46,61 32497.1,62 173.982,63 16391,64 172,65 31.042,66 2.3,67 2.3,68 22.051,69 3.34,70 5.9}
{0 CHEMBL1986756,2 3,3 1.051,4 81.453,5 6,6 1.996,8 3.304,9 59.5,10 1.689,11 8.087,12 15065,13 16.234,14 28663,15 2.865,16 5.125,17 5.125,18 0.662,19 5.55,20 3.535,21 14.62,22 117.457,23 18.734,24 11.152,25 78.687,26 3.247,27 4.75,28 0.475,29 0.536,30 3.402,31 1.043,32 42.303,33 17,34 1.843,35 177.421,36 1.189,37 0.477,38 0.477,39 4.399,40 13.762,41 600,42 9.917,43 14.983,44 5.639,45 21.633,46 285,47 6.019,48 6.019,49 3.09,51 1.794,52 2.515,53 1.794,54 7.563,55 7.563,56 508.682,57 42.813,58 3.552,59 13.656,60 1165.68,61 14742.6,62 128.068,63 7745,64 103,65 25.188,66 2.111,67 2.111,68 17.547,69 3.055,70 5.5}
{0 CHEMBL1986781,3 1.43,4 87.936,5 1,6 2.49,8 3.472,9 68.5,10 1.738,11 8.609,12 21621,13 20.501,14 39322,15 2.892,16 6.106,17 6.106,18 1.144,19 5.933,20 3.805,21 18.14,22 145.58,23 21.372,24 14.687,25 95.626,26 3.348,27 5.073,28 1.057,29 1.5,30 3.687,31 1.322,32 53.801,33 22,34 2.238,35 225.658,36 1.482,37 1.13,38 1.13,39 4.233,40 16.955,41 837,42 13.283,43 18.587,44 6.667,45 31.777,46 378,47 7.24,48 7.24,49 3.25,51 2.219,52 2.775,53 2.219,54 8.299,55 8.299,56 520.097,57 54.406,58 3.627,59 24.242,60 1725.85,61 24269.1,62 160.608,63 12527,64 127,65 29.022,66 2.37,67 2.37,68 21.646,69 3.152,70 5.9}
{0 CHEMBL1986869,2 1,3 1,4 93.03,5 3,6 2.018,7 6.17,8 3.267,9 53.5,10 1.679,11 7.972,12 12629,13 18.096,14 23319,15 2.97,16 4.976,17 4.976,18 0.849,19 5.896,20 3.822,21 14.849,22 112.096,23 17.389,24 12.977,25 83.9,26 3.164,27 4.674,28 0.606,29 1.071,30 3.443,31 1.009,32 43.692,33 16.5,34 1.713,35 217.469,36 1.139,37 0.742,38 0.742,39 3.847,40 14.818,41 583,42 12.344,43 14.338,44 5.389,45 23.632,46 265,47 5.501,48 5.501,49 2.969,51 1.753,52 2.441,53 1.753,54 8.158,55 8.158,56 444.794,57 43.717,58 3.61,59 11.863,60 1055.42,61 12650.8,62 120.543,63 7080,64 93,65 24.306,66 1.929,67 1.929,68 17.542,69 3.013,70 5.9}
{0 CHEMBL1986899,2 1,3 0.982,4 116.197,5 2,6 1.601,8 3.145,9 46.5,10 1.635,11 7.559,12 9112,13 14.493,14 15117,15 2.687,16 4.02,17 4.02,18 0.402,19 5.289,20 3.693,21 12.147,22 90.107,23 15.364,24 10.31,25 65.995,26 2.95,27 4.301,30 3.2,31 0.955,32 35.448,33 13.25,34 1,35 133.74,36 1,39 3.71,40 12.383,41 540,42 8.882,43 12.734,44 4.861,45 20.43,46 251,47 5.662,48 5.662,49 2.949,51 1.454,52 2.051,53 1.454,54 6.812,55 6.812,56 309.617,57 35.803,58 3.441,59 13.114,60 834.979,61 9623.08,62 104.066,63 5565,64 87,65 22.364,66 2.059,67 2.059,68 15.122,69 2.694,70 5.5}
{0 CHEMBL1986943,2 1,3 1,4 46.306,5 5,6 1.988,8 3.229,9 51.833,10 1.67,11 7.867,12 10407,13 17.018,14 18077,15 2.866,16 5.04,17 5.04,18 0.509,19 5.548,20 3.73,21 14.254,22 106.039,23 16.518,24 11.975,25 76.006,26 3.243,27 4.664,28 0.458,29 0.721,30 3.355,31 1,32 40.878,33 16.5,34 1.547,35 174.245,36 1.037,37 0.489,38 0.489,39 3.921,40 13.793,41 530,42 11.158,43 14.552,44 5.167,45 18.833,46 239,47 5.747,48 5.747,49 3.021,51 1.786,52 2.319,53 1.786,54 7.433,55 7.433,56 380.195,57 41.443,58 3.524,59 20.64,60 940.624,61 10888.1,62 113.484,63 6220,64 83,65 23.316,66 2.075,67 2.075,68 16.885,69 3.027,70 7.1}
{0 CHEMBL1986970,3 1.332,4 113.639,5 1,6 2.207,8 3.409,9 63,10 1.728,11 8.455,12 16002,13 20.217,14 27169,15 2.91,16 4.378,17 4.378,18 1.044,19 5.913,20 3.765,21 16.354,22 136.881,23 20.217,24 14.169,25 89.895,26 3.243,27 4.565,28 1,29 1.5,30 3.518,31 1.25,32 48.783,33 18.75,34 1.923,35 198.251,36 1.534,37 1.025,38 1.025,39 4.094,40 16.37,41 590,42 12.321,43 17.477,44 6.5,45 28.114,46 273,47 6.419,48 6.419,49 3.135,51 1.632,52 2.301,53 1.632,54 8.082,55 8.082,56 447.877,57 49.251,58 3.551,59 27.236,60 1396.84,61 18770.2,62 145.212,63 9671,64 99,65 27.178,66 2.168,67 2.168,68 20.432,69 3.168,70 5.9}
{0 CHEMBL1987007,2 1,3 1.01,4 79.832,5 3,6 1.835,8 3.229,9 51,10 1.666,11 7.846,12 10105,13 16.872,14 16178,15 2.866,16 4.586,17 4.586,18 1,19 5.666,20 3.742,21 13.982,22 102.039,23 16.518,24 12.112,25 76.894,26 3.192,27 4.625,28 0.846,29 1,30 3.429,31 1,32 41.669,33 15.5,34 1.602,35 188.898,36 1.077,37 0.901,38 0.901,39 3.674,40 14.397,41 566,42 11.276,43 14.667,44 5.194,45 21.479,46 256,47 5.671,48 5.671,49 3.018,51 1.7,52 2.135,53 1.7,54 7.554,55 7.554,56 351.462,57 41.676,58 3.522,59 15.377,60 969.592,61 11368.8,62 114.541,63 6500,64 88,65 23.558,66 2.022,67 2.022,68 16.829,69 2.922,70 5.9}
{0 CHEMBL1987009,2 2,3 1.056,4 128.653,5 4,6 1.838,8 3.304,9 55.5,10 1.687,11 8.073,12 13926,13 18.286,14 24245,15 2.844,16 4.597,17 4.597,18 1.001,19 5.642,20 3.822,21 14.912,22 118.211,23 17.933,24 13.15,25 83.587,26 3.234,27 4.629,28 0.907,29 1.37,30 3.461,31 1.116,32 44.564,33 16.25,34 1.603,35 198.224,36 1.266,37 0.963,38 0.963,39 3.962,40 14.969,41 661,42 11.798,43 15.521,44 5.778,45 25.254,46 301,47 5.833,48 5.833,49 3.052,51 1.714,52 2.48,53 1.714,54 7.697,55 7.697,56 412.73,57 44.433,58 3.633,59 15.229,60 1187.96,61 15145.8,62 128.747,63 8319,64 105,65 25.418,66 2.064,67 2.064,68 18.468,69 3.053,70 5.9}
{0 CHEMBL1987034,2 2,3 1.572,4 141.394,5 2,6 2.493,7 5.159,8 3.407,9 63.75,10 1.717,11 8.391,12 22021,13 22.105,14 44124,15 3.004,16 5.939,17 5.939,18 1.178,19 5.554,20 3.884,21 16.556,22 134.881,23 20.855,24 15.318,25 104.586,26 3.604,27 5.018,28 1,29 1.5,30 3.768,31 1.208,32 50.064,33 18.75,34 2.21,35 260.721,36 1.64,37 1,38 1,39 4.664,40 17.236,41 794,42 15.141,43 16.419,44 6.361,45 32.031,46 380,47 6.349,48 6.349,49 3.262,50 1,51 2.031,52 2.703,53 2.031,54 7.608,55 7.608,56 570.529,57 46.595,58 3.589,59 24.981,60 1557.49,61 21951.4,62 150.008,63 10963,64 130,65 28.01,66 2.186,67 2.186,68 19.843,69 3.396,70 8.3}
{0 CHEMBL1987359,2 3,3 1.334,4 71.064,5 4,6 1.862,8 3.305,9 56.5,10 1.694,11 8.091,12 11449,13 18.518,14 17719,15 2.978,16 3.464,17 3.464,18 1.218,19 5.947,20 3.518,21 14.097,22 116.211,23 18.518,24 12.685,25 79.464,26 3.391,27 4.033,28 0.616,29 0.732,30 3.409,31 1.086,32 43.449,33 16.5,34 1.812,35 170.059,36 1.394,37 0.618,38 0.618,39 4.177,40 15.047,41 610,42 10.564,43 16.543,44 6.056,45 29.03,46 294,47 4.513,48 4.513,49 3.298,51 1.669,52 1.931,53 1.669,54 8.033,55 8.033,56 363.226,57 43.655,58 3.442,59 25.071,60 1146.57,61 13868.6,62 126.075,63 7138,64 94,65 24.936,66 1.777,67 1.777,68 18.192,69 3.091,70 5.9}
{0 CHEMBL1987430,2 4,3 1.127,4 81.453,5 6,6 2.09,8 3.34,9 61.5,10 1.7,11 8.205,12 16241,13 16.941,14 30206,15 2.891,16 5.238,17 5.238,18 1.019,19 5.536,20 3.546,21 15.159,22 123.627,23 19.441,24 11.652,25 81.687,26 3.276,27 4.775,28 0.878,29 1.123,30 3.426,31 1.098,32 43.665,33 17.5,34 1.843,35 181.421,36 1.189,37 0.901,38 0.901,39 4.395,40 14.47,41 623,42 10.297,43 15.69,44 5.889,45 23.202,46 297,47 6.367,48 6.367,49 3.121,51 1.859,52 2.553,53 1.859,54 7.535,55 7.535,56 512.928,57 44.192,58 3.545,59 16.695,60 1264.89,61 16492,62 134.599,63 8492,64 108,65 25.975,66 2.165,67 2.165,68 18.254,69 3.169,70 5.5}
{0 CHEMBL1987535,2 2,3 1.212,4 69.18,5 7,6 1.645,8 3.266,9 53,10 1.673,11 7.939,12 12854,13 17.416,14 22109,15 2.811,16 3.897,17 3.897,18 1.084,19 5.714,20 3.737,21 14.593,22 116.096,23 17.062,24 12.764,25 80.914,26 3.245,27 4.236,28 0.737,29 0.945,30 3.427,31 1.001,32 42.371,33 16.5,34 1.588,35 181.856,36 1.388,37 0.772,38 0.772,39 3.87,40 14.682,41 650,42 11.293,43 15.284,44 5.528,45 25.245,46 292,47 4.633,48 4.633,49 3.204,51 1.546,52 2.293,53 1.546,54 7.614,55 7.614,56 362.369,57 42.081,58 3.451,59 20.191,60 1108.7,61 14004.7,62 123.206,63 7950,64 106,65 24.895,66 1.724,67 1.724,68 17.904,69 3.025,70 5.5}
{0 CHEMBL1987679,2 3,3 1.546,4 119.137,5 3,6 2.406,7 6.313,8 3.44,9 65,10 1.723,11 8.482,12 21666,13 20.501,14 38941,15 2.896,16 5.345,17 5.345,18 1.219,19 6.06,20 3.755,21 17.511,22 145.207,23 20.501,24 14.653,25 91.871,26 3.302,27 4.819,28 1.14,29 1.671,30 3.499,31 1.436,32 52.985,33 20,34 1.977,35 209.963,36 1.585,37 1.155,38 1.155,39 4.302,40 16.092,41 895,42 13.427,43 17.922,44 6.444,45 30.009,46 397,47 6.548,48 6.548,49 3.21,50 2,51 1.924,52 2.548,53 1.924,54 8.84,55 8.84,56 461.859,57 52.195,58 3.745,59 19.484,60 1677.08,61 24318.1,62 157.086,63 13037,64 141,65 28.881,66 2.257,67 2.257,68 21.03,69 3.242,70 5.9}
{0 CHEMBL1987815,2 1,3 0.11,4 54.374,6 1.11,7 5.268,8 2.911,9 37,10 1.578,11 6.908,12 4081,13 12.182,14 7483,15 2.224,16 2.366,17 2.366,18 -0.517,19 5.753,20 3.477,21 9.957,22 69.487,23 11.828,24 8.708,25 56.331,26 2.682,27 3.512,28 -0.807,29 -1.119,30 3.004,31 0.425,32 29.416,33 11.25,34 1,35 139.027,36 0.501,37 -0.852,38 -0.852,39 3.174,40 9.516,41 212,42 8.122,43 9.737,44 3.694,45 8.844,46 98,47 3.342,48 3.342,49 2.423,50 1,51 1,52 1.489,53 1,54 7.708,55 7.708,56 310.701,57 29.17,58 3.428,59 6.073,60 364.617,61 3281.31,62 68.093,63 2144,64 39,65 16.549,66 1.367,67 1.367,68 11.902,69 2.649,70 4.2}
{0 CHEMBL1987910,1 1,2 7,3 1.334,4 150.825,5 9,6 2.322,7 6.001,8 3.44,9 67.5,10 1.723,11 8.485,12 23538,13 19.156,14 47265,15 3.006,16 5.678,17 5.678,18 1.088,19 5.857,20 3.812,21 17.353,22 138.452,23 21.303,24 13.568,25 94.881,26 3.389,27 5.034,28 1,29 1.577,30 3.453,31 1.368,32 50.681,33 19.25,34 2.058,35 229.675,36 1.538,37 1.064,38 1.064,39 4.709,40 16.142,41 788,42 12.417,43 17.103,44 6.389,45 29.333,46 364,47 7.043,48 7.043,49 3.102,50 2,51 2,52 2.807,53 2,54 8.078,55 8.078,56 587.949,57 51.463,58 3.661,59 14.176,60 1638.9,61 23631.4,62 156.235,63 12156,64 139,65 28.641,66 2.309,67 2.309,68 20.44,69 3.31,70 5.9}
{0 CHEMBL1987998,3 1,4 91.835,6 1.991,8 3.187,9 49.833,10 1.65,11 7.696,12 10965,13 16.734,14 19486,15 2.784,16 3.69,17 3.69,18 0.624,19 5.393,20 3.769,21 12.948,22 98.042,23 16.234,24 11.403,25 72.536,26 3.193,27 4.153,28 0.112,29 0.156,30 3.35,31 0.866,32 37.595,33 14.5,34 1.644,35 156.684,36 1.078,37 0.135,38 0.135,39 4.08,40 13.369,41 563,42 10.446,43 13.737,44 5.056,45 23.981,46 263,47 5.683,48 5.683,49 2.934,51 1.493,52 2.085,53 1.493,54 7.093,55 7.093,56 374.872,57 37.296,58 3.515,59 20.102,60 927.837,61 11144,62 110.681,63 6272,64 94,65 23.278,66 1.992,67 1.992,68 15.772,69 3.027,70 5.5}
{0 CHEMBL1988075,1 1,2 7,3 1.526,4 172.608,5 9,6 2.454,7 6.278,8 3.56,9 73,10 1.756,11 8.843,12 30337,13 23.139,14 55833,15 3.101,16 6.208,17 6.208,18 1.275,19 5.76,20 3.832,21 19.535,22 166.974,23 23.656,24 16.535,25 106.844,26 3.443,27 5.169,28 1.166,29 1.73,30 3.784,31 1.648,32 58.188,33 21.75,34 2.316,35 252.445,36 1.947,37 1.182,38 1.182,39 4.566,40 18.988,41 1087,42 15.107,43 19.533,44 7.333,45 43.052,46 494,47 7.049,48 7.049,49 3.24,50 3,51 2.242,52 2.964,53 2.242,54 7.868,55 7.868,56 559.233,57 59.061,58 3.693,59 26.51,60 2235.98,61 35071.2,62 184.61,63 17515,64 170,65 31.908,66 2.398,67 2.398,68 23.5,69 3.376,70 6.4}
{0 CHEMBL1988141,2 1,3 0.525,4 43.78,5 2,6 1.673,8 3.057,9 44.5,10 1.616,11 7.323,12 6233,13 14.535,14 10098,15 2.779,16 3.129,17 3.129,18 0.178,19 5.38,20 3.505,21 10.605,22 82.439,23 14.535,24 9.613,25 60.896,26 2.866,27 3.804,28 -0.377,29 -0.495,30 3.157,31 0.383,32 32.5,33 13,34 1.466,35 124.03,36 1.014,37 -0.401,38 -0.401,39 3.789,40 11.479,41 371,42 8.327,43 12.355,44 4.583,45 16.15,46 181,47 4.066,48 4.066,49 2.941,51 1.339,52 1.64,53 1.339,54 6.848,55 6.848,56 304.916,57 32.305,58 3.328,59 13.804,60 626.077,61 6407.9,62 88.971,63 3640,64 63,65 20.017,66 1.655,67 1.655,68 13.581,69 2.859,70 6.9}
{0 CHEMBL1988153,3 1,4 65.731,6 2.093,8 3.304,9 60,10 1.688,11 8.081,12 16315,13 16.165,14 34553,15 2.736,16 5.633,17 5.633,18 0.855,19 6.097,20 3.76,21 15.555,22 113.457,23 18.311,24 11.595,25 83.762,26 3.303,27 4.962,28 0.66,29 1.002,30 3.457,31 1,32 44.368,33 17.25,34 1.856,35 218.855,36 1.128,37 0.683,38 0.683,39 4.269,40 14.058,41 611,42 11.029,43 14.762,44 5.417,45 24.592,46 281,47 6.168,48 6.168,49 3.007,51 1.9,52 2.62,53 1.9,54 8.914,55 8.914,56 578.654,57 45.067,58 3.74,59 8.622,60 1163.98,61 14521.1,62 127.61,63 7913,64 99,65 25.143,66 2.169,67 2.169,68 17.832,69 2.922,70 5.9}
{0 CHEMBL1988163,2 2,3 1.078,4 144.739,5 3,6 1.759,7 5.174,8 3.304,9 56.5,10 1.69,11 8.094,12 13913,13 18.398,14 25628,15 2.704,16 4.65,17 4.65,18 1,19 5.779,20 3.765,21 15.114,22 116.211,23 18.148,24 13.398,25 87.026,26 3.275,27 4.635,28 1,29 1.5,30 3.699,31 1.107,32 44.513,33 17.25,34 1.596,35 220.435,36 1.18,37 1,38 1,39 4.372,40 14.388,41 582,42 13.461,43 14.577,44 5.5,45 21.846,46 267,47 6.115,48 6.115,49 3.115,50 1,51 1.741,52 2.557,53 1.741,54 7.984,55 7.984,56 448.236,57 44.202,58 3.581,59 13.279,60 1142.32,61 14205.7,62 127.073,63 7760,64 98,65 25.023,66 2.1,67 2.1,68 17.851,69 2.893,70 7}
{0 CHEMBL1988173,2 16,3 1.268,4 143.994,5 12,6 2.361,8 3.408,9 61.833,10 1.722,11 8.424,12 17955,13 21.855,14 32268,15 2.905,16 5.382,17 5.382,18 1.102,19 5.58,20 3.862,21 15.896,22 120.881,23 20.855,24 14.485,25 91.902,26 3.414,27 4.849,28 1,29 1.5,30 3.729,31 1.317,32 48.186,33 17.25,34 1.904,35 203.03,36 1.38,37 1,38 1,39 4.328,40 17.22,41 689,42 13.327,43 16.721,44 6.444,45 26.785,46 326,47 5.905,48 5.905,49 3.221,51 1.986,52 2.608,53 1.986,54 6.623,55 6.623,56 476.778,57 47.965,58 3.278,59 26.883,60 1464.38,61 19982.3,62 147.278,63 10062,64 115,65 27.521,66 2.122,67 2.122,68 19.607,69 3.356,70 5.9}
{0 CHEMBL1988300,1 3,2 4,3 1.111,4 169.358,5 6,6 2.108,7 12.041,8 3.375,9 58.5,10 1.709,11 8.3,12 16000,13 19.441,14 27802,15 2.934,16 5.965,17 5.965,18 1,19 6.077,20 3.808,21 16.457,22 130.606,23 19.087,24 14.141,25 88.509,26 3.378,27 5.029,28 1,29 1.5,30 3.522,31 1.379,32 48.399,33 18,34 1.784,35 217.735,36 1.391,37 1,38 1,39 4.184,40 15.702,41 723,42 13.061,43 16.159,44 6,45 26.944,46 321,47 6.205,48 6.205,49 3.186,50 4,51 2.085,52 2.864,53 2.085,54 8.747,55 8.747,56 412.741,57 49.812,58 3.679,59 18.288,60 1377.45,61 18035.9,62 140.678,63 9901,64 112,65 26.791,66 2.167,67 2.167,68 19.684,69 3.134,70 6.7}
{0 CHEMBL1988387,1 1,2 8,3 1.878,4 167.222,5 8,6 2.625,7 6.258,8 3.615,9 80,10 1.768,11 8.996,12 39748,13 24.01,14 78456,15 3.278,16 6.676,17 6.676,18 1.413,19 5.775,20 3.86,21 21.073,22 176.117,23 25.233,24 16.966,25 114.587,26 3.438,27 5.257,28 1.311,29 1.919,30 3.792,31 1.629,32 61.576,33 23.75,34 2.377,35 270.955,36 2.239,37 1.356,38 1.356,39 4.765,40 19.722,41 1274,42 15.556,43 20.87,44 7.75,45 48.108,46 581,47 7.236,48 7.236,49 3.2,50 3,51 2.295,52 2.95,53 2.295,54 7.876,55 7.876,56 659.619,57 62.254,58 3.697,59 22.619,60 2602.4,61 43709.8,62 200.722,63 21258,64 200,65 33.685,66 2.458,67 2.458,68 24.982,69 3.423,70 5.9}
{0 CHEMBL1988437,2 3,3 1.318,4 119.48,5 4,6 1.95,8 3.374,9 59,10 1.707,11 8.285,12 17078,13 19.7,14 29751,15 2.982,16 5.113,17 5.113,18 1.087,19 5.473,20 3.805,21 15.815,22 132.606,23 19.347,24 14.15,25 89.029,26 3.342,27 4.823,28 0.956,29 1.5,30 3.551,31 1.309,32 49.301,33 17.25,34 1.832,35 201.784,36 1.441,37 1,38 1,39 4.151,40 16.033,41 746,42 12.52,43 16.609,44 6.278,45 31.077,46 344,47 5.806,48 5.806,49 3.201,51 1.796,52 2.538,53 1.796,54 7.261,55 7.261,56 425.706,57 47.116,58 3.497,59 18.187,60 1418.13,61 19263.3,62 142.529,63 10198,64 124,65 27.141,66 2.009,67 2.009,68 19.808,69 3.169,70 5.5}
{0 CHEMBL1988537,3 1.157,4 111.942,6 2.501,8 3.269,9 53.333,10 1.688,11 8.021,12 11129,13 18.242,14 20568,15 2.944,16 4.682,17 4.682,18 1.066,19 6.042,20 3.797,21 14.696,22 112.096,23 17.389,24 12.883,25 83.066,26 3.314,27 4.72,28 0.562,29 0.802,30 3.384,31 1.185,32 46.145,33 16.25,34 1.979,35 216.412,36 1.528,37 0.654,38 0.654,39 3.91,40 14.843,41 485,42 11.792,43 14.917,44 5.528,45 18.326,46 221,47 6.445,48 6.445,49 2.933,51 1.643,52 2.178,53 1.643,54 8.578,55 8.578,56 454.945,57 44.183,58 3.594,59 20.852,60 965.499,61 11100.8,62 117.148,63 6127,64 74,65 23.545,66 2.072,67 2.072,68 17.797,69 3.171,70 6.1}
{0 CHEMBL1988581,2 2,3 -0.253,4 36.058,6 1.818,8 2.91,9 37.5,10 1.575,11 6.888,12 3581,13 12.577,14 5491,15 2.499,16 3.303,17 3.303,18 -0.523,19 5.161,20 3.307,21 9.301,22 67.487,23 12.577,24 7.986,25 50.798,26 2.804,27 4.059,28 -0.884,29 -1,30 3.074,31 -0.471,32 28.519,33 11.5,34 1.108,35 114.757,36 0.122,37 -0.907,38 -0.907,39 3.515,40 10.136,41 222,42 7.708,43 9.859,44 3.694,45 9.917,46 109,47 4.553,48 4.553,49 2.773,51 1.307,52 1.768,53 1.307,54 6.006,55 6.006,56 270.688,57 28.662,58 3.086,59 7.832,60 384.765,61 3402.48,62 68.717,63 2073,64 42,65 16.648,66 1.719,67 1.719,68 11.134,69 2.649,70 7.1}
{0 CHEMBL1988594,2 4,3 1.14,4 151.17,5 7,6 2.237,7 5.883,8 3.407,9 63,10 1.712,11 8.373,12 21074,13 20.571,14 39407,15 2.87,16 5.675,17 5.675,18 1,19 5.589,20 3.808,21 16.55,22 130.881,23 20.217,24 14.551,25 92.702,26 3.42,27 5.033,28 1,29 1.5,30 3.446,31 1.343,32 49.409,33 19.25,34 2.087,35 210.856,36 1.519,37 1,38 1,39 4.274,40 15.864,41 843,42 13.218,43 16.8,44 6.361,45 31.275,46 385,47 6.367,48 6.367,49 3.131,51 1.99,52 2.804,53 1.99,54 7.616,55 7.616,56 492.174,57 48.777,58 3.572,59 16.413,60 1569.26,61 22455.1,62 150.827,63 11821,64 138,65 28.229,66 2.173,67 2.173,68 20.185,69 3.276,70 5.9}
{0 CHEMBL1988608,2 3,3 1.303,4 89.968,5 1,6 2.33,8 3.374,9 61.5,10 1.709,11 8.303,12 17877,13 19.673,14 32837,15 2.839,16 4.813,17 4.813,18 1.167,19 5.632,20 3.816,21 15.752,22 134.606,23 19.673,24 13.508,25 85.005,26 3.29,27 4.913,28 1.044,29 1.584,30 3.434,31 1.34,32 47.87,33 18.25,34 2.026,35 192.971,36 1.534,37 1.088,38 1.088,39 4.395,40 14.97,41 717,42 12.517,43 16.024,44 6.056,45 26.633,46 329,47 6.27,48 6.27,49 3.162,51 1.828,52 2.428,53 1.828,54 7.846,55 7.846,56 462.618,57 48.297,58 3.704,59 19.378,60 1405.35,61 19163.9,62 142.403,63 10128,64 117,65 27.065,66 2.26,67 2.26,68 19.052,69 3.058,70 5.9}
{0 CHEMBL1988692,2 4,3 0.347,4 65.073,5 1,6 1.532,8 3.058,9 43,10 1.619,11 7.343,12 5934,13 14.113,14 9429,15 2.699,16 4.241,17 4.241,18 0.021,19 5.162,20 3.435,21 11.155,22 84.439,23 14.113,24 9.631,25 60.088,26 2.815,27 4.407,28 -0.406,29 -0.476,30 3.297,31 0.338,32 34.338,33 12.75,34 1.456,35 133.986,36 0.855,37 -0.422,38 -0.422,39 3.709,40 11.397,41 343,42 8.986,43 11.72,44 4.333,45 13.63,46 160,47 4.312,48 4.312,49 2.814,51 1.532,52 2.059,53 1.532,54 6.319,55 6.319,56 289.221,57 34.144,58 3.198,59 11.57,60 599.815,61 6116.92,62 88.077,63 3654,64 60,65 19.762,66 1.625,67 1.625,68 13.556,69 2.773,70 6.4}
{0 CHEMBL1988717,2 8,3 1.722,4 151.868,5 9,6 2.582,7 6.375,8 3.615,9 81.5,10 1.767,11 8.996,12 39968,13 22.949,14 79490,15 3.189,16 7.022,17 7.022,18 1.539,19 6.444,20 3.862,21 20.798,22 174.608,23 25.449,24 15.974,25 109.643,26 3.454,27 5.368,28 1.371,29 1.978,30 3.761,31 1.554,32 61.915,33 24.25,34 2.44,35 263.901,36 1.844,37 1.448,38 1.448,39 4.791,40 18.784,41 1224,42 14.843,43 20.511,44 7.583,45 47.469,46 559,47 7.663,48 7.663,49 3.236,50 3,51 2.398,52 3.126,53 2.398,54 9.929,55 9.929,56 684.184,57 62.716,58 3.912,59 18.51,60 2590.09,61 43513.1,62 200.645,63 21234,64 201,65 33.643,66 2.564,67 2.564,68 24.385,69 3.3,70 8.9}
{0 CHEMBL1988805,2 2,3 0.081,4 90.906,5 3,6 1.641,7 5.872,8 2.911,9 36.5,10 1.576,11 6.896,12 4139,13 12.182,14 7618,15 2.433,16 2.556,17 2.556,18 -0.406,19 5.252,20 3.448,21 10.143,22 69.487,23 11.828,24 8.746,25 56.298,26 2.735,27 3.621,28 -0.781,29 -1.19,30 2.991,31 0.31,32 31.159,33 11.75,34 1.148,35 138.838,36 0.559,37 -0.822,38 -0.822,39 3.329,40 9.478,41 233,42 7.929,43 9.899,44 3.778,45 9.446,46 108,47 4.604,48 4.604,49 2.628,50 2,51 1.099,52 1.563,53 1.099,54 6.595,55 6.595,56 306.872,57 29.398,58 3.206,59 2.473,60 377.557,61 3316.92,62 68.274,63 2166,64 40,65 16.607,66 1.607,67 1.607,68 12.208,69 2.6,70 5.5}
{0 CHEMBL1988838,1 1,2 4,3 1.396,4 129.627,5 3,6 2.413,7 10.22,8 3.44,9 67,10 1.725,11 8.487,12 23241,13 21.975,14 44360,15 2.97,16 5.945,17 5.945,18 1.177,19 5.555,20 3.792,21 16.656,22 141.207,23 21.725,24 15.097,25 98.862,26 3.478,27 5.019,28 1,29 1.5,30 3.67,31 1.326,32 49.37,33 19.5,34 2.151,35 231.918,36 1.589,37 1,38 1,39 4.809,40 16.81,41 827,42 15.229,43 16.704,44 6.444,45 34.933,46 397,47 6.378,48 6.378,49 3.295,50 3,51 2.083,52 2.747,53 2.083,54 7.609,55 7.609,56 539.986,57 48.225,58 3.597,59 21.572,60 1690.03,61 24653.4,62 157.309,63 12134,64 139,65 28.873,66 2.265,67 2.265,68 19.921,69 3.076,70 5.9}
{0 CHEMBL1989029,2 4,3 0.53,4 55.033,5 2,6 1.808,8 3.059,9 43.5,10 1.621,11 7.354,12 5952,13 14.113,14 9718,15 2.54,16 3.804,17 3.804,18 -0.228,19 5.152,20 3.41,21 11.388,22 84.439,23 14.113,24 9.648,25 60.643,26 2.838,27 4.214,28 -0.406,29 -0.543,30 3.295,31 0.595,32 33.917,33 12.75,34 1.31,35 136.67,36 0.818,37 -0.434,38 -0.434,39 3.706,40 11.291,41 338,42 8.89,43 11.754,44 4.361,45 12.51,46 158,47 4.246,48 4.246,49 2.789,51 1.546,52 1.905,53 1.546,54 6.141,55 6.141,56 307.467,57 34.318,58 3.137,59 12.418,60 589.628,61 5963.88,62 87.547,63 3552,64 58,65 19.629,66 1.625,67 1.625,68 13.75,69 2.602,70 7.6}
{0 CHEMBL1989043,2 1,3 1.358,4 135.272,5 1,6 2.623,7 6.008,8 3.44,9 64.167,10 1.723,11 8.48,12 21401,13 22.604,14 38090,15 3.063,16 5.824,17 5.824,18 1.183,19 6.148,20 3.878,21 17.588,22 133.207,23 21.25,24 15.404,25 99.9,26 3.582,27 5.007,28 1,29 1.5,30 3.615,31 1.309,32 51.558,33 20,34 2.481,35 249.288,36 1.568,37 1,38 1,39 4.333,40 18.69,41 859,42 14.721,43 17.785,44 6.5,45 32.36,46 397,47 6.136,48 6.136,49 3.006,51 1.998,52 2.481,53 1.998,54 9.063,55 9.063,56 531.5,57 52.1,58 3.73,59 22.815,60 1668.51,61 23838.6,62 156.402,63 12253,64 138,65 28.741,66 2.272,67 2.272,68 20.759,69 3.145,70 5.5}
{0 CHEMBL1989259,2 2,3 0.664,4 109.713,6 2.193,7 5.614,8 3.147,9 48,10 1.644,11 7.607,12 7727,13 15.905,14 12594,15 2.687,16 5.627,17 5.627,18 0.582,19 5.73,20 3.54,21 11.86,22 92.107,23 15.905,24 10.355,25 64.89,26 3.103,27 4.887,28 -0.23,29 -0.263,30 3.204,31 0.805,32 39.123,33 13.75,34 1.711,35 151.804,36 1,37 -0.227,38 -0.227,39 3.76,40 12.603,41 435,42 10.467,43 12.589,44 4.611,45 16.273,46 204,47 5.855,48 5.855,49 2.945,51 1.957,52 2.553,53 1.957,54 7.721,55 7.721,56 341.888,57 38.171,58 3.617,59 13.847,60 763.53,61 8200.44,62 100.43,63 4664,64 70,65 21.502,66 2,67 2,68 14.193,69 2.836,70 5.7}
{0 CHEMBL1989267,1 2,2 6,3 1.943,4 192.515,5 6,6 2.578,7 6.331,8 3.741,9 88,10 1.804,11 9.394,12 46362,13 29.449,14 78517,15 3.397,16 6.812,17 6.812,18 1.816,19 6.243,20 3.845,21 23.087,22 207.66,23 29.095,24 20.215,25 128.388,26 3.498,27 5.496,28 1.535,29 2.211,30 3.662,31 1.76,32 70.104,33 26.75,34 2.556,35 300.015,36 2.068,37 1.602,38 1.602,39 4.411,40 24.211,41 1474,42 18.51,43 24.159,44 9.028,45 61.95,46 684,47 7.906,48 7.906,49 3.41,50 3,51 2.355,52 2.994,53 2.355,54 9.387,55 9.387,56 628.345,57 70.959,58 3.869,59 42.279,60 3438.8,61 62339.1,62 235.95,63 28528,64 232,65 37.133,66 2.435,67 2.435,68 28.269,69 3.457,70 5.8}
{0 CHEMBL1989471,2 1,3 0.016,4 49.422,5 4,6 1.383,8 3.013,9 40,10 1.607,11 7.209,12 4429,13 13.569,14 6476,15 2.499,16 3.365,17 3.365,18 -0.33,19 5.852,20 3.387,21 10.576,22 78.711,23 13.569,24 9.075,25 55.892,26 2.987,27 4.07,28 -0.422,29 -0.593,30 3.068,32 32.159,33 11.75,34 1.253,35 132.489,36 0.231,37 -0.441,38 -0.441,39 3.599,40 11.306,41 286,42 8.582,43 10.701,44 4.083,45 11.363,46 134,47 4.973,48 4.973,49 2.948,51 1.371,52 2.032,53 1.371,54 7.881,55 7.881,56 260.631,57 33.851,58 3.464,59 11.151,60 502.173,61 4700.58,62 79.986,63 2871,64 52,65 18.364,66 1.763,67 1.763,68 12.711,69 2.783,70 5.5}
{0 CHEMBL1989474,3 0.314,4 80.317,6 1.244,8 3.012,9 41.5,10 1.608,11 7.209,12 5587,13 12.372,14 10085,15 2.626,16 3.003,17 3.003,18 -0.48,19 5.13,20 3.611,21 10.865,22 76.711,23 13.242,24 8.843,25 58.348,26 2.74,27 3.912,28 -0.562,29 -0.752,30 2.955,31 0.757,32 31.894,33 12.5,34 1,35 127.848,36 0.824,37 -0.598,38 -0.598,39 3.674,40 10.286,41 312,42 7.7,43 10.883,44 4.167,45 12.294,46 145,47 4.106,48 4.106,49 2.735,51 1.166,52 1.671,53 1.166,54 6.299,55 6.299,56 323.033,57 32.352,58 3.264,59 12.492,60 515.807,61 4967.04,62 81.004,63 3053,64 50,65 18.691,66 1.644,67 1.644,68 13.214,69 2.687,70 5.9}
{0 CHEMBL1989646,2 1,3 1,4 124.88,5 3,6 1.65,7 5.885,8 3.189,9 49,10 1.655,11 7.731,12 9122,13 15.811,14 15350,15 2.713,16 4.182,17 4.182,18 0.715,19 5.733,20 3.745,21 13.143,22 100.042,23 15.811,24 11.22,25 70.002,26 2.953,27 4.499,28 0.654,29 0.952,30 3.269,31 1.078,32 39.563,33 14.5,34 1.372,35 163.323,36 1.161,37 0.669,38 0.669,39 3.771,40 12.692,41 482,42 10.152,43 13.248,44 4.972,45 18.805,46 216,47 5.412,48 5.412,49 2.965,50 1,51 1.532,52 2.138,53 1.532,54 7.81,55 7.81,56 334.694,57 40.489,58 3.54,59 13.685,60 856.222,61 9617.2,62 107.277,63 5644,64 78,65 22.538,66 1.869,67 1.869,68 15.99,69 2.855,70 5.9}
{0 CHEMBL1989708,1 1,2 9,3 1.864,4 156.768,5 10,6 2.531,7 6.313,8 3.615,9 77,10 1.77,11 9.008,12 33754,13 25.587,14 58490,15 3.351,16 6.9,17 6.9,18 1.417,19 5.789,20 3.879,21 20.57,22 180.117,23 25.233,24 17.822,25 112.531,26 3.459,27 5.377,28 1.288,29 1.799,30 3.795,31 1.741,32 61.218,33 23,34 2.311,35 265.027,36 2.136,37 1.34,38 1.34,39 4.562,40 20.712,41 1198,42 16.789,43 20.87,44 7.75,45 50.25,46 550,47 7.206,48 7.206,49 3.367,50 3,51 2.294,52 2.941,53 2.294,54 7.955,55 7.955,56 547.76,57 62.251,58 3.709,59 29.904,60 2566.87,61 42347.1,62 199.473,63 20516,64 188,65 33.496,66 2.461,67 2.461,68 24.667,69 3.383,70 8.699}
{0 CHEMBL1989834,2 5,3 -0.451,4 84.754,5 6,6 1.161,8 2.856,9 34,10 1.557,11 6.722,12 3144,13 10.958,14 5177,15 2.242,16 2.797,17 2.797,18 -0.93,19 4.955,20 3.298,21 9.08,22 60,23 10.958,24 7.86,25 48.647,26 2.687,27 3.544,28 -0.927,29 -1.39,30 2.905,31 -0.401,32 27.148,33 9.75,34 1,35 108.962,36 -0.208,37 -0.931,38 -0.931,39 3.321,40 8.513,41 204,42 6.885,43 9.231,44 3.528,45 7.375,46 93,47 2.836,48 2.836,49 2.735,51 1.131,52 1.668,53 1.131,54 5.411,55 5.411,56 232.877,57 27.867,58 2.862,59 4.17,60 319.853,61 2709.12,62 62.453,63 1856,64 35,65 15.679,66 1.266,67 1.266,68 11.234,69 2.52,70 4.7}
{0 CHEMBL1990223,3 1.239,4 79.569,6 2.409,8 3.266,9 54.167,10 1.673,11 7.938,12 14670,13 18.974,14 27740,15 3.003,16 5.676,17 5.676,18 0.744,19 5.951,20 3.744,21 14.169,22 114.096,23 17.974,24 12.496,25 80.539,26 3.383,27 5.015,28 0.183,29 0.257,30 3.421,31 0.872,32 41.623,33 15.75,34 2.133,35 187.204,36 1.42,37 0.219,38 0.219,39 4.255,40 15.349,41 649,42 11.946,43 14.607,44 5.417,45 26.49,46 306,47 6.29,48 6.29,49 2.997,51 1.976,52 2.291,53 1.976,54 8.323,55 8.323,56 445.708,57 41.34,58 3.735,59 20.32,60 1128.99,61 14509.9,62 124.078,63 7815,64 109,65 24.972,66 2.135,67 2.135,68 16.843,69 3.17,70 5.5}
{0 CHEMBL1990254,2 5,3 1,4 121.686,5 6,6 1.714,7 5.811,8 3.228,9 50.5,10 1.666,11 7.845,12 10552,13 16.778,14 17360,15 2.687,16 3.294,17 3.294,18 1,19 5.928,20 3.685,21 12.942,22 98.039,23 16.778,24 11.775,25 72.49,26 3.121,27 3.968,28 0.979,29 1.355,30 3.398,31 1,32 38.944,33 14.5,34 1.263,35 144.184,36 1,37 1,38 1,39 3.78,40 13.223,41 556,42 9.852,43 14.399,44 5.5,45 22.139,46 260,47 4.443,48 4.443,49 2.986,50 3,51 1.405,52 1.995,53 1.405,54 8.267,55 8.267,56 315.87,57 38.93,58 3.622,59 15.164,60 982.977,61 11830.3,62 115.532,63 6544,64 92,65 23.782,66 1.812,67 1.812,68 16.742,69 2.728,70 5.75}
{0 CHEMBL1990288,2 1,3 1.161,4 133.798,5 3,6 2.207,8 3.441,9 65,10 1.732,11 8.528,12 19018,13 19.631,14 34043,15 2.762,16 6.006,17 6.006,18 1.054,19 5.998,20 3.806,21 17.549,22 139.207,23 20.501,24 14.293,25 92.111,26 3.28,27 5.031,28 1,29 1.5,30 3.723,31 1.321,32 51.575,33 20.5,34 1.795,35 214.499,36 1.44,37 1,38 1,39 4.143,40 16.158,41 764,42 12.634,43 17.595,44 6.5,45 29.049,46 343,47 6.591,48 6.591,49 3.27,51 2.101,52 2.755,53 2.101,54 8.453,55 8.453,56 484.488,57 52.48,58 3.619,59 20.547,60 1567.74,61 21344.6,62 152.882,63 11237,64 116,65 28.112,66 2.258,67 2.258,68 21.124,69 3.139,70 5.9}
{0 CHEMBL1990482,2 1,3 0.1,4 60.601,5 2,6 1.433,7 5.325,8 2.962,9 39,10 1.59,11 7.044,12 4737,13 12.535,14 8373,15 2.58,16 3.032,17 3.032,18 -0.478,19 5.532,20 3.394,21 10.152,22 71.059,23 12.535,24 8.754,25 54.707,26 2.687,27 3.753,28 -0.718,29 -0.997,30 3.155,31 0.41,32 30.972,33 12,34 1,35 122.683,36 0.587,37 -0.733,38 -0.733,39 3.674,40 9.421,41 276,42 7.892,43 10.314,44 3.944,45 10.827,46 128,47 3.816,48 3.816,49 2.735,50 1,51 1.33,52 1.936,53 1.33,54 6.937,55 6.937,56 289.626,57 31.051,58 3.282,59 7.555,60 452.23,61 4155.72,62 74.945,63 2635,64 49,65 17.739,66 1.451,67 1.451,68 12.431,69 2.613,70 5.9}
{0 CHEMBL1990496,2 7,3 1.546,4 165.556,5 5,6 2.309,7 6.379,8 3.589,9 73.5,10 1.772,11 8.975,12 26403,13 24.2,14 43399,15 3.02,16 5.738,17 5.738,18 1.444,19 6.136,20 3.841,21 19.72,22 171.525,23 24.2,24 17.097,25 105.435,26 3.472,27 5.075,28 1.385,29 1.924,30 3.67,31 1.618,32 59.566,33 22.25,34 2.231,35 231.845,36 1.618,37 1.393,38 1.393,39 4.312,40 19.556,41 995,42 15.153,43 20.849,44 7.694,45 41.296,46 451,47 7.387,48 7.387,49 3.442,50 2,51 2.136,52 2.554,53 2.136,54 8.789,55 8.789,56 470.196,57 59.705,58 3.643,59 39.242,60 2256.79,61 34627.4,62 188.002,63 17063,64 151,65 32.101,66 2.437,67 2.437,68 24.336,69 3.333,70 5.6}
{0 CHEMBL1990590,2 2,3 1,4 104.102,5 6,6 2.118,8 3.229,9 50.833,10 1.67,11 7.868,12 10638,13 17.181,14 19488,15 2.703,16 5.743,17 5.743,18 0.854,19 5.827,20 3.757,21 13.904,22 106.039,23 16.681,24 11.903,25 74.754,26 3.244,27 5.002,28 0.76,29 1.11,30 3.349,31 1.022,32 41.511,33 15,34 1.641,35 175.692,36 1.059,37 0.777,38 0.777,39 3.982,40 13.672,41 522,42 11.247,43 13.639,44 5.139,45 18.167,46 237,47 5.869,48 5.869,49 2.937,51 1.976,52 2.717,53 1.976,54 7.981,55 7.981,56 392.583,57 42.546,58 3.51,59 13.208,60 929.793,61 10574.5,62 112.784,63 6007,64 80,65 23.129,66 2.05,67 2.05,68 16.551,69 3.011,70 5.5}
{0 CHEMBL1990884,2 7,3 1.467,4 148.81,5 8,6 2.264,7 11.366,8 3.408,9 63.5,10 1.716,11 8.394,12 18281,13 19.836,14 32402,15 2.942,16 5.857,17 5.857,18 1.351,19 6.132,20 3.755,21 16.069,22 140.881,23 20.706,24 13.419,25 86.63,26 3.259,27 5.029,28 1.104,29 1.592,30 3.395,31 1.397,32 50.149,33 18.5,34 2.17,35 205.285,36 1.643,37 1.097,38 1.097,39 4.463,40 15.915,41 738,42 12.693,43 16.233,44 6.194,45 28.014,46 341,47 6.712,48 6.712,49 3.113,50 3,51 2.032,52 2.78,53 2.032,54 8.931,55 8.931,56 480.577,57 51.374,58 3.806,59 16.742,60 1502.18,61 20463.7,62 148.086,63 10619,64 125,65 27.604,66 2.297,67 2.297,68 19.259,69 3.072,70 6.5}
{0 CHEMBL1990885,2 5,3 1.546,4 67.972,5 3,6 2.546,8 3.408,9 63.5,10 1.719,11 8.406,12 16865,13 20.259,14 26966,15 2.998,16 5.734,17 5.734,18 0.941,19 5.705,20 3.619,21 15.616,22 136.881,23 21.129,24 13.456,25 87.002,26 3.311,27 4.966,28 0.771,29 1.057,30 3.44,31 1.355,32 48.507,33 18.5,34 2.205,35 193.084,36 1.567,37 0.787,38 0.787,39 4.045,40 17.28,41 707,42 11.821,43 17.408,44 6.528,45 30.19,46 338,47 6.623,48 6.623,49 3.205,51 1.936,52 2.442,53 1.936,54 7.519,55 7.519,56 440.779,57 49.823,58 3.416,59 29.772,60 1503.13,61 20612.1,62 148.127,63 10241,64 121,65 27.641,66 2.267,67 2.267,68 19.62,69 3.04,70 6.1}
{0 CHEMBL1990904,3 1.173,4 71.492,5 1,6 2.208,8 3.341,9 58.5,10 1.708,11 8.236,12 13660,13 17.347,14 23957,15 2.797,16 6.003,17 6.003,18 1,19 5.789,20 3.798,21 16.159,22 122.382,23 18.217,24 12.882,25 83.284,26 3.231,27 5.03,28 1,29 1.5,30 3.69,31 1.139,32 47.272,33 19,34 1.575,35 196.204,36 1.264,37 1,38 1,39 3.948,40 14.509,41 602,42 11.397,43 16.278,44 5.806,45 24.255,46 267,47 6.566,48 6.566,49 3.115,51 2.099,52 2.63,53 2.099,54 8.022,55 8.022,56 428.961,57 47.773,58 3.613,59 21.354,60 1196.87,61 14931.1,62 131.652,63 8299,64 89,65 25.592,66 2.256,67 2.256,68 19.271,69 2.993,70 5.9}
{0 CHEMBL1991063,2 3,3 1.278,4 93.465,5 4,6 2.178,7 6.226,8 3.407,9 61.667,10 1.714,11 8.385,12 20430,13 21.38,14 37818,15 3.187,16 5.415,17 5.415,18 1.114,19 5.957,20 3.807,21 16.729,22 140.881,23 20.38,24 14.569,25 92.903,26 3.399,27 4.952,28 1.034,29 1.605,30 3.553,31 1.198,32 49.329,33 18.25,34 2.094,35 217.406,36 1.597,37 1.085,38 1.085,39 4.299,40 17.336,41 805,42 13.638,43 16.792,44 6.278,45 29.439,46 368,47 6.747,48 6.747,49 3.255,50 2,51 1.926,52 2.647,53 1.926,54 8.374,55 8.374,56 484.718,57 49.433,58 3.762,59 23.284,60 1552.18,61 22034.7,62 150.284,63 11552,64 133,65 28.07,66 2.294,67 2.294,68 19.974,69 3.319,70 5.9}
{0 CHEMBL1991078,2 3,3 1.563,4 162.373,5 6,6 2.224,8 3.56,9 74,10 1.758,11 8.855,12 29175,13 23.493,14 51815,15 3.051,16 6.156,17 6.156,18 1.355,19 6.144,20 3.885,21 19.322,22 168.974,23 23.493,24 16.64,25 105.483,26 3.387,27 5.131,28 1.255,29 1.833,30 3.726,31 1.461,32 58.195,33 22,34 2.196,35 237.239,36 1.912,37 1.287,38 1.287,39 4.33,40 18.649,41 1074,42 14.636,43 20.338,44 7.556,45 42.363,46 490,47 7.552,48 7.552,49 3.219,51 2.159,52 3.005,53 2.159,54 9.1,55 9.1,56 547.152,57 58.285,58 3.816,59 20.349,60 2226.55,61 34933.2,62 184.452,63 17395,64 166,65 31.86,66 2.524,67 2.524,68 24.105,69 3.212,70 7.1}
{0 CHEMBL1991138,2 3,3 1.523,4 143.317,5 1,6 2.363,7 6.366,8 3.561,9 71.5,10 1.762,11 8.871,12 24539,13 22.907,14 38049,15 3.087,16 6.557,17 6.557,18 1.261,19 5.889,20 3.804,21 20.13,22 162.974,23 22.907,24 16.742,25 103.663,26 3.605,27 5.244,28 1.191,29 1.779,30 3.75,31 1.498,32 58.609,33 22.75,34 2.251,35 240.422,36 1.677,37 1.22,38 1.22,39 4.251,40 19.437,41 1037,42 15.071,43 21.158,44 7.333,45 43.516,46 459,47 7.062,48 7.062,49 3.603,50 3,51 2.195,52 2.732,53 2.195,54 8.279,55 8.279,56 427.804,57 58.84,58 3.648,59 34.925,60 2177.22,61 33532,62 182.863,63 17188,64 153,65 31.698,66 2.492,67 2.492,68 24.197,69 3.217,70 6}
{0 CHEMBL1991188,2 2,3 1.151,4 134.631,5 3,6 2.251,8 3.374,9 61.5,10 1.71,11 8.308,12 16447,13 19.225,14 28932,15 2.985,16 5.189,17 5.189,18 1.111,19 6.062,20 3.723,21 15.253,22 134.606,23 20.096,24 13.118,25 85.753,26 3.099,27 4.881,28 0.898,29 1.21,30 3.391,31 1.225,32 45.881,33 17.5,34 1.673,35 180.727,36 1.564,37 0.899,38 0.899,39 4.352,40 15.901,41 683,42 11.195,43 16.691,44 6.389,45 27.357,46 324,47 6.08,48 6.08,49 2.99,51 1.847,52 2.378,53 1.847,54 8.755,55 8.755,56 457.577,57 46.518,58 3.768,59 25.223,60 1381.64,61 18369.1,62 141.178,63 9366,64 113,65 26.839,66 2.098,67 2.098,68 19.453,69 3.063,70 5.9}
{0 CHEMBL1991285,2 3,3 1.844,4 57.754,5 5,6 2.636,8 3.44,9 66.833,10 1.729,11 8.51,12 22480,13 22.173,14 42893,15 3.099,16 6.364,17 6.364,18 1.525,19 5.708,20 3.799,21 16.494,22 147.207,23 21.673,24 14.639,25 93.997,26 3.35,27 5.195,28 0.71,29 1.083,30 3.495,31 1.164,32 51.591,33 19.75,34 2.562,35 203.006,36 2.046,37 0.85,38 0.85,39 4.598,40 16.94,41 810,42 13.449,43 17.852,44 6.667,45 32.8,46 387,47 6.588,48 6.588,49 3.133,51 2.194,52 2.569,53 2.194,54 7.619,55 7.619,56 547.025,57 49.026,58 3.633,59 27.232,60 1654.64,61 23931.2,62 156.333,63 11800,64 129,65 28.722,66 2.311,67 2.311,68 20.285,69 3.223,70 5.9}
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{0 CHEMBL1996111,3 1.043,4 111.152,5 1,6 1.97,8 3.305,9 56,10 1.697,11 8.13,12 11930,13 18.096,14 20292,15 2.799,16 4.325,17 4.325,18 1.028,19 5.871,20 3.763,21 14.675,22 116.211,23 18.096,24 12.631,25 79.545,26 3.231,27 4.525,28 0.986,29 1.5,30 3.419,31 1.184,32 44.875,33 16.75,34 1.59,35 182.869,36 1.332,37 1,38 1,39 3.808,40 14.548,41 523,42 11.446,43 15.192,44 5.667,45 21.864,46 238,47 6.198,48 6.198,49 3.124,51 1.535,52 2.301,53 1.535,54 7.967,55 7.967,56 402.382,57 44.856,58 3.539,59 21.357,60 1086.35,61 13235.1,62 125.034,63 7224,64 84,65 24.707,66 2.139,67 2.139,68 17.95,69 2.914,70 5.9}
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{0 CHEMBL1997023,2 1,3 0.283,4 53.316,6 1.514,8 2.961,9 40.5,10 1.594,11 7.065,12 5083,13 13.638,14 9548,15 2.499,16 2.613,17 2.613,18 -0.478,19 5.74,20 3.483,21 9.761,22 73.059,23 13.284,24 8.94,25 58.842,26 2.815,27 3.618,28 -0.9,29 -1,30 3.172,31 -0.239,32 30.245,33 11.75,34 1.132,35 138.044,36 0.503,37 -0.953,38 -0.953,39 3.734,40 10.615,41 238,42 8.631,43 10.157,44 3.944,45 11.556,46 117,47 3.861,48 3.861,49 2.801,51 1.159,52 1.667,53 1.159,54 7.439,55 7.439,56 352.901,57 30.164,58 3.518,59 11.911,60 439.469,61 4161,62 74.909,63 2462,64 45,65 17.655,66 1.439,67 1.439,68 11.853,69 2.727,70 5.9}
{0 CHEMBL1997041,2 2,3 -0.319,4 65.018,5 1,6 1.511,8 2.91,9 37,10 1.573,11 6.885,12 4000,13 10.958,14 7047,15 2.276,16 3.486,17 3.486,18 -0.546,19 5.652,20 3.245,21 9.767,22 69.487,23 11.828,24 7.843,25 51.753,26 2.87,27 3.993,28 -0.712,29 -1.033,30 2.988,31 0.082,32 29.278,33 11.25,34 1,35 119.154,36 0.408,37 -0.76,38 -0.76,39 3.397,40 9.236,41 240,42 6.981,43 9.646,44 3.694,45 8.367,46 110,47 3.572,48 3.572,49 2.783,51 1.414,52 1.947,53 1.414,54 7.307,55 7.307,56 284.353,57 29.642,58 3.279,59 8.229,60 384.278,61 3380.34,62 68.687,63 2227,64 41,65 16.696,66 1.487,67 1.487,68 11.809,69 2.515,70 4}
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{0 CHEMBL1997340,3 1.008,4 55.961,5 1,6 1.939,8 3.189,9 51,10 1.654,11 7.726,12 9716,13 15.811,14 17190,15 2.803,16 4.284,17 4.284,18 0.689,19 5.993,20 3.674,21 13.186,22 104.042,23 15.811,24 11.204,25 71.267,26 3.055,27 4.425,28 0.568,29 0.79,30 3.271,31 1.014,32 40.433,33 15.5,34 1.534,35 166.854,36 1.239,37 0.556,38 0.556,39 3.767,40 12.398,41 486,42 10.248,43 14.005,44 4.944,45 17.822,46 218,47 5.375,48 5.375,49 2.945,51 1.534,52 2.285,53 1.534,54 8.542,55 8.542,56 379.204,57 40.298,58 3.638,59 9.704,60 862.847,61 9765.59,62 107.677,63 5743,64 82,65 22.606,66 1.897,67 1.897,68 15.961,69 2.937,70 5.9}
{0 CHEMBL1997534,2 3,3 1.288,4 113.632,5 3,6 2.207,8 3.408,9 61.5,10 1.717,11 8.401,12 17376,13 20.897,14 29129,15 3.011,16 5.676,17 5.676,18 1.149,19 6.116,20 3.875,21 16.328,22 140.881,23 20.543,24 14.365,25 90.832,26 3.268,27 5.041,28 0.877,29 1.385,30 3.429,31 1.215,32 50.039,33 17.75,34 1.949,35 222.45,36 1.616,37 0.983,38 0.983,39 4.106,40 17.685,41 745,42 13.431,43 16.915,44 6.333,45 27.929,46 342,47 6.556,48 6.556,49 3.233,51 1.989,52 2.697,53 1.989,54 8.913,55 8.913,56 436.442,57 51.079,58 3.83,59 25.397,60 1506.74,61 20624.3,62 148.272,63 10743,64 123,65 27.69,66 2.271,67 2.271,68 19.92,69 3.084,70 5.9}
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{0 CHEMBL1997611,2 1,3 1.614,4 49.337,6 2.743,8 3.341,9 62.5,10 1.709,11 8.243,12 14496,13 19.878,14 28174,15 2.952,16 5.878,17 5.878,18 1.295,19 6.218,20 3.508,21 14.845,22 126.382,23 19.878,24 12.739,25 82.7,26 3.299,27 5.079,28 0.718,29 0.929,30 3.47,31 1.084,32 48.09,33 18.75,34 2.356,35 199.142,36 1.801,37 0.746,38 0.746,39 4.578,40 14.653,41 518,42 12.172,43 15.477,44 5.917,45 24.25,46 252,47 6.759,48 6.759,49 3.122,51 2.135,52 2.706,53 2.135,54 9.048,55 9.048,56 552.762,57 47.738,58 3.667,59 17.48,60 1168.33,61 14261,62 130.405,63 7154,64 90,65 25.109,66 2.249,67 2.249,68 17.945,69 3.2,70 5.5}
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{0 CHEMBL1997764,2 3,3 1.066,4 139.527,5 5,6 1.98,8 3.304,9 55.5,10 1.689,11 8.083,12 13272,13 17.933,14 22819,15 2.817,16 4.65,17 4.65,18 1,19 5.762,20 3.753,21 14.678,22 112.211,23 17.933,24 12.742,25 79.458,26 3.175,27 4.635,28 1,29 1.5,30 3.43,31 1.024,32 44.652,33 16.75,34 1.742,35 173.674,36 1.1,37 1,38 1,39 3.959,40 14.192,41 655,42 11.144,43 15.391,44 5.778,45 23.509,46 298,47 6.435,48 6.435,49 3.051,51 1.741,52 2.556,53 1.741,54 7.831,55 7.831,56 389.257,57 44.365,58 3.524,59 14.785,60 1171.38,61 14662.1,62 127.862,63 8040,64 101,65 25.245,66 2.15,67 2.15,68 18.346,69 2.918,70 7.1}
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{0 CHEMBL1998121,2 3,3 1.071,4 79.223,5 3,6 2.141,7 5.675,8 3.228,9 51.667,10 1.671,11 7.878,12 11310,13 18.104,14 21323,15 3.046,16 4.207,17 4.207,18 0.679,19 5.883,20 3.66,21 13.461,22 110.039,23 17.104,24 12.157,25 78.122,26 3.346,27 4.365,28 0.416,29 0.587,30 3.4,31 1.055,32 40.168,33 15,34 1.611,35 180.301,36 1.133,37 0.437,38 0.437,39 4.256,40 14.234,41 483,42 11.065,43 14.091,44 5.361,45 18.5,46 226,47 5.223,48 5.223,49 3.003,50 2,51 1.534,52 2.301,53 1.534,54 8.001,55 8.001,56 423.83,57 40.197,58 3.566,59 23.476,60 933.341,61 10989.9,62 113.703,63 6028,64 82,65 23.338,66 1.791,67 1.791,68 16.511,69 3.194,70 5.9}
{0 CHEMBL1998159,2 4,3 1.278,4 76.987,5 2,6 2.253,7 6.079,8 3.471,9 70,10 1.731,11 8.58,12 25555,13 19.51,14 49284,15 2.922,16 5.61,17 5.61,18 1.19,19 6.117,20 3.802,21 17.811,22 148.825,23 22.01,24 13.581,25 94.06,26 3.312,27 4.952,28 1.078,29 1.605,30 3.502,31 1.392,32 51.83,33 20,34 2.016,35 215.679,36 1.588,37 1.113,38 1.113,39 4.676,40 16.649,41 867,42 12.4,43 17.908,44 6.583,45 32,46 400,47 6.846,48 6.846,49 3.162,50 3,51 2.08,52 2.648,53 2.08,54 8.979,55 8.979,56 566.253,57 52.377,58 3.773,59 25.401,60 1805.04,61 27128.4,62 164.352,63 13771,64 151,65 29.654,66 2.347,67 2.347,68 21.018,69 3.25,70 5.9}
{0 CHEMBL1998193,2 6,3 1,4 51.97,5 6,6 1.691,8 3.301,9 57,10 1.678,11 8.03,12 17438,13 18.452,14 30003,15 2.794,16 3.106,17 3.106,18 1,19 4.819,20 3.619,21 13.905,22 96.211,23 18.452,24 12.737,25 80.303,26 3.335,27 3.618,28 0.787,29 0.858,30 3.489,31 0.954,32 38.93,33 17,34 1.519,35 139.036,36 1.242,37 0.817,38 0.817,39 3.997,40 14.572,41 810,42 10.388,43 15.983,44 6.083,45 29.538,46 390,47 3.676,48 3.676,49 3.132,51 1.485,52 2.009,53 1.485,54 5.52,55 5.52,56 371.962,57 37.804,58 3.151,59 20.824,60 1319.51,61 19520,62 135.576,63 10180,64 143,65 26.818,66 1.806,67 1.806,68 18.135,69 3.092,70 5.9}
{0 CHEMBL1998253,2 1,3 -0.854,4 120.331,5 2,6 0.955,7 5.907,8 2.737,9 29,10 1.518,11 6.345,12 1818,13 10.129,14 2440,15 2.487,16 2.117,17 2.117,18 -1.033,19 4.899,20 3.282,21 7.565,22 49.303,23 10.129,24 6.698,25 41.223,26 2.55,27 3.44,28 -1.152,29 -1.491,30 2.87,31 -0.889,32 22.271,33 8.5,34 0.122,35 88.331,36 -0.6,37 -1.21,38 -1.21,39 3.397,40 8.489,41 141,42 6.075,43 7.952,44 3.111,45 6.041,46 69,47 2.84,48 2.84,49 2.618,50 1,51 0.889,52 1.205,53 0.889,54 5.185,55 5.185,56 164.679,57 23.676,58 2.926,59 3.974,60 222.147,61 1738.51,62 51.106,63 1195,64 28,65 13.625,66 1.263,67 1.263,68 9.381,69 2.499,70 5.5}
{0 CHEMBL1998414,2 2,3 0.722,4 65.46,5 3,6 1.63,8 3.102,9 44.833,10 1.623,11 7.435,12 8721,13 15.673,14 16072,15 2.687,16 3.884,17 3.884,18 0.466,19 5.412,20 3.575,21 12.066,22 88.239,23 14.82,24 10.828,25 69.984,26 3.22,27 4.218,28 0.041,29 0.061,30 3.452,31 0.765,32 35.836,33 13,34 1.525,35 169.826,36 1,37 0.051,38 0.051,39 3.829,40 13.015,41 469,42 10.295,43 12.165,44 4.583,45 16.748,46 216,47 5.358,48 5.358,49 2.869,51 1.478,52 2.051,53 1.478,54 7.153,55 7.153,56 369.613,57 35.718,58 3.552,59 12.319,60 731.862,61 8096.22,62 97.102,63 4795,64 77,65 21.319,66 1.837,67 1.837,68 14.507,69 2.879,70 6.2}
{0 CHEMBL1998470,2 1,3 0.543,4 66.001,5 7,6 1.547,8 3.147,9 47.333,10 1.648,11 7.623,12 8204,13 16.027,14 14173,15 2.772,16 4.227,17 4.227,18 0.477,19 5.449,20 3.587,21 12.478,22 98.107,23 15.527,24 10.958,25 69.492,26 3.229,27 4.5,28 -0.131,29 -0.162,30 3.359,31 0.981,32 36.492,33 14.5,34 1.465,35 151.913,36 1.039,37 -0.137,38 -0.137,39 3.939,40 12.815,41 429,42 9.926,43 12.958,44 4.917,45 16.76,46 201,47 4.957,48 4.957,49 3.013,51 1.547,52 2.319,53 1.547,54 7.069,55 7.069,56 367.278,57 36.892,58 3.373,59 15.867,60 758.842,61 8232.54,62 100.444,63 4656,64 69,65 21.509,66 1.832,67 1.832,68 15.317,69 3.039,70 5.5}
{0 CHEMBL1998477,2 2,3 1.244,4 120.522,6 2.348,7 5.549,8 3.376,9 61,10 1.717,11 8.347,12 15439,13 20.139,14 28581,15 2.735,16 4.829,17 4.829,18 1,19 6.266,20 3.806,21 15.967,22 128.606,23 19.889,24 14.237,25 92.263,26 3.365,27 4.715,28 1,29 1.5,30 3.667,31 1.201,32 50.649,33 17.75,34 1.83,35 236.707,36 1.326,37 1,38 1,39 4.644,40 15.719,41 566,42 14.483,43 15.555,44 5.917,45 24.224,46 264,47 6.72,48 6.72,49 3.252,50 2,51 1.831,52 2.704,53 1.831,54 9.352,55 9.352,56 496.427,57 48.811,58 3.795,59 20.022,60 1278.49,61 16260.3,62 137.64,63 8451,64 96,65 26.089,66 2.204,67 2.204,68 18.831,69 3.14,70 5.5}
{0 CHEMBL1998545,2 6,3 1,4 121.686,5 5,6 1.714,8 3.266,9 53,10 1.676,11 7.96,12 12241,13 17.485,14 20445,15 2.687,16 3.36,17 3.36,18 1,19 5.547,20 3.696,21 13.483,22 104.096,23 17.485,24 12.258,25 75.743,26 3.127,27 4.013,28 0.983,29 1.477,30 3.475,31 1,32 40.537,33 15,34 1.528,35 147.708,36 1.09,37 1,38 1,39 3.795,40 13.8,41 618,42 10.3,43 15.029,44 5.722,45 24.986,46 289,47 4.671,48 4.671,49 2.995,51 1.451,52 2.04,53 1.451,54 7.543,55 7.543,56 337.25,57 40.018,58 3.576,59 16.405,60 1097.95,61 13818.6,62 122.832,63 7512,64 101,65 24.79,66 1.872,67 1.872,68 17.411,69 2.845,70 5.9}
{0 CHEMBL1998585,1 1,2 7,3 1.539,4 140.248,5 7,6 2.325,7 5.947,8 3.471,9 71.5,10 1.731,11 8.578,12 27528,13 19.156,14 58504,15 2.968,16 5.678,17 5.678,18 1.088,19 6.055,20 3.815,21 18.045,22 144.825,23 22.173,24 13.551,25 98.564,26 3.441,27 5.034,28 1,29 1.577,30 3.453,31 1.381,32 52.761,33 20.5,34 2.059,35 242.096,36 1.756,37 1.064,38 1.064,39 4.798,40 16.313,41 857,42 12.533,43 17.526,44 6.556,45 31.584,46 397,47 7.205,48 7.205,49 3.119,50 2,51 2.017,52 2.809,53 2.017,54 8.727,55 8.727,56 667.694,57 53.405,58 3.739,59 14.424,60 1786.06,61 26471.3,62 163.596,63 13406,64 149,65 29.5,66 2.385,67 2.385,68 21.01,69 3.293,70 8.6}
{0 CHEMBL1998611,2 2,3 -0.469,4 70.544,5 3,6 1.317,7 11.026,8 2.799,9 32.083,10 1.541,11 6.549,12 3193,13 13.016,14 6474,15 2.208,16 2.422,17 2.422,18 -0.993,19 5.604,20 3.761,21 8.634,22 58.603,23 11.163,24 8.294,25 58.903,26 3.015,27 3.758,28 -1.041,29 -1.575,30 3.251,31 -0.556,32 26.401,33 9,34 0.855,35 183.564,36 -0.042,37 -1.076,38 -1.076,39 3.429,40 10.54,41 154,42 8.477,43 8.108,44 3.25,45 7.369,46 76,47 3.543,48 3.543,49 2.428,50 2,51 0.918,52 1.31,53 0.918,54 7.001,55 7.001,56 347.411,57 26.996,58 3.1,59 5.085,60 260.568,61 2135.03,62 56.301,63 1392,64 32,65 14.456,66 1.299,67 1.299,68 9.936,69 2.886,70 5.9}
{0 CHEMBL1998680,2 9,3 1.844,4 144.589,5 5,6 2.788,8 3.668,9 83,10 1.792,11 9.213,12 35781,13 27.286,14 61610,15 3.277,16 6.234,17 6.234,18 1.618,19 6.501,20 3.75,21 20.672,22 192.666,23 27.286,24 18.168,25 114.164,26 3.561,27 5.164,28 1.326,29 1.802,30 3.572,31 1.618,32 65.235,33 23.75,34 2.715,35 251.815,36 1.869,37 1.38,38 1.38,39 4.749,40 21.524,41 1159,42 16.951,43 22.345,44 8.333,45 47.479,46 547,47 7.354,48 7.354,49 3.429,51 2.314,52 2.825,53 2.314,54 10.169,55 10.169,56 590.659,57 63.485,58 3.932,59 40.179,60 2768.34,61 46220.9,62 211.007,63 21167,64 180,65 34.451,66 2.507,67 2.507,68 25.487,69 3.38,70 5.5}
{0 CHEMBL1998829,2 3,3 1,4 126.902,5 5,6 1.965,8 3.267,9 52.833,10 1.679,11 7.975,12 12472,13 17.725,14 22726,15 2.807,16 4.65,17 4.65,18 1,19 5.762,20 3.756,21 14.335,22 108.096,23 17.225,24 12.492,25 78.29,26 3.28,27 4.635,28 1,29 1.5,30 3.533,31 1.019,32 43.494,33 16,34 1.742,35 175.775,36 1.099,37 1,38 1,39 3.954,40 13.918,41 591,42 11.383,43 14.469,44 5.444,45 21.357,46 268,47 5.927,48 5.927,49 3.021,51 1.741,52 2.556,53 1.741,54 7.828,55 7.828,56 405.048,57 42.884,58 3.517,59 12.534,60 1055.72,61 12751.8,62 120.793,63 7142,64 93,65 24.324,66 2.119,67 2.119,68 17.433,69 2.927,70 6.8}
{0 CHEMBL1999112,2 2,3 1.812,4 110.6,5 2,6 3.074,7 6.204,8 3.41,9 64.5,10 1.731,11 8.473,12 16213,13 20.897,14 30590,15 2.98,16 5.874,17 5.874,18 1.58,19 6.19,20 3.772,21 16.341,22 140.881,23 20.543,24 14.47,25 93.477,26 3.465,27 5.174,28 0.844,29 1.141,30 3.538,31 1.116,32 54.151,33 19.25,34 2.579,35 236.668,36 2.087,37 0.897,38 0.897,39 4.482,40 16.064,41 544,42 12.994,43 17.595,44 6.528,45 25.12,46 254,47 6.824,48 6.824,49 3.318,50 2,51 1.894,52 2.391,53 1.894,54 8.863,55 8.863,56 549.421,57 50.679,58 3.574,59 17.851,60 1327.14,61 17013.6,62 142.316,63 8677,64 95,65 26.587,66 2.337,67 2.337,68 20.298,69 3.153,70 6.5}
{0 CHEMBL1999120,2 6,3 -1,4 13.404,5 5,6 0.784,8 2.737,9 31.5,10 1.519,11 6.353,12 2200,13 10.293,14 3527,15 2.218,16 1.723,17 1.723,18 -1.011,19 5.194,20 3.279,21 7.595,22 51.303,23 10.293,24 6.592,25 42.025,26 2.499,27 3.393,28 -1.307,29 -1.703,30 2.684,31 -0.897,32 24.148,33 9,34 0.688,35 97.649,36 -0.451,37 -1.347,38 -1.347,39 3.467,40 7.957,41 135,42 6.377,43 8.05,44 3.028,45 5.918,46 66,47 3.208,48 3.208,49 2.546,51 0.692,52 0.957,53 0.692,54 6.349,55 6.349,56 236.76,57 24.606,58 3.242,60 214.443,61 1708.94,62 50.847,63 1167,64 28,65 13.511,66 1.263,67 1.263,68 9.139,69 2.47,70 4.3}
{0 CHEMBL1999321,2 5,3 1.377,4 130.935,5 2,6 2.327,8 3.407,9 62.5,10 1.713,11 8.375,12 20938,13 20.054,14 37350,15 2.841,16 4.877,17 4.877,18 1,19 5.41,20 3.762,21 16.221,22 128.881,23 20.054,24 14.204,25 88.555,26 3.275,27 4.933,28 1,29 1.5,30 3.737,31 1.243,32 49.411,33 18.5,34 2.25,35 188.549,36 1.527,37 1,38 1,39 4.193,40 15.592,41 888,42 12.343,43 17.327,44 6.444,45 33.66,46 406,47 5.87,48 5.87,49 3.245,51 1.69,52 2.193,53 1.69,54 7.098,55 7.098,56 446.633,57 48.167,58 3.463,59 17.235,60 1599.73,61 23482.9,62 152.106,63 12360,64 144,65 28.48,66 2.09,67 2.09,68 20.241,69 2.885,70 5.9}
{0 CHEMBL1999414,1 1,2 8,3 1.723,4 149.239,5 12,6 2.656,7 6.266,8 3.667,9 81,10 1.784,11 9.162,12 38019,13 27.424,14 60636,15 3.364,16 6.643,17 6.643,18 1.686,19 5.724,20 3.806,21 20.894,22 189.421,23 27.07,24 18.843,25 118.653,26 3.53,27 5.271,28 1.262,29 1.73,30 3.654,31 1.708,32 61.898,33 24,34 2.343,35 261.693,36 2.136,37 1.279,38 1.279,39 4.336,40 22.822,41 1334,42 16.665,43 22.862,44 8.583,45 62.205,46 633,47 6.999,48 6.999,49 3.368,50 2,51 2.325,52 2.778,53 2.325,54 7.836,55 7.836,56 539.351,57 63.082,58 3.696,59 36.461,60 2960.66,61 52506.4,62 215.938,63 24181,64 215,65 35.321,66 2.445,67 2.445,68 26.306,69 3.386,70 7.2}
{0 CHEMBL1999428,2 2,3 1,4 121.686,5 4,6 1.714,8 3.187,9 48,10 1.652,11 7.711,12 9488,13 16.071,14 15431,15 2.687,16 3.231,17 3.231,18 1,19 5.899,20 3.685,21 12.484,22 92.042,23 16.071,24 11.237,25 68.909,26 3.048,27 3.887,28 0.878,29 1.175,30 3.364,31 1,32 37.753,33 13.75,34 1.188,35 138.324,36 1,37 0.875,38 0.875,39 3.674,40 12.938,41 533,42 9.661,43 13.529,44 5.167,45 21.07,46 248,47 4.269,48 4.269,49 2.969,51 1.401,52 1.994,53 1.401,54 8.158,55 8.158,56 302.855,57 37.456,58 3.613,59 12.63,60 899.559,61 10518.3,62 109.384,63 5960,64 87,65 23.018,66 1.765,67 1.765,68 15.87,69 2.687,70 5.9}
{0 CHEMBL1999484,2 4,3 1.146,4 65.774,5 2,6 2.023,8 3.339,9 57.5,10 1.696,11 8.177,12 14660,13 18.993,14 23854,15 2.952,16 4.853,17 4.853,18 1,19 5.621,20 3.71,21 15.955,22 120.382,23 18.64,24 13.633,25 86.742,26 3.116,27 4.729,28 0.965,29 1.24,30 3.563,31 1.056,32 44.644,33 18.75,34 1.866,35 203.318,36 1.253,37 1,38 1,39 3.886,40 16.306,41 727,42 12.236,43 16.673,44 6,45 27.221,46 332,47 5.977,48 5.977,49 3.064,51 1.808,52 2.228,53 1.808,54 7.79,55 7.79,56 388.364,57 45.46,58 3.551,59 19.911,60 1309.44,61 17286.4,62 135.914,63 9351,64 115,65 26.339,66 2.072,67 2.072,68 19.378,69 2.998,70 5.5}
{0 CHEMBL1999506,2 10,3 1.786,4 137.45,5 12,6 3.009,8 3.693,9 84.5,10 1.797,11 9.277,12 39436,13 27.993,14 67023,15 3.34,16 6.297,17 6.297,18 1.618,19 6.503,20 3.778,21 21.141,22 199.376,23 27.993,24 18.613,25 116.205,26 3.497,27 5.216,28 1.382,29 1.9,30 3.606,31 1.619,32 65.672,33 24.25,34 2.325,35 251.108,36 1.841,37 1.387,38 1.387,39 4.612,40 22.323,41 1255,42 17.63,43 22.721,44 8.472,45 53.72,46 593,47 6.951,48 6.951,49 3.415,51 2.234,52 2.798,53 2.234,54 10.181,55 10.181,56 576.292,57 64.107,58 3.966,59 43.943,60 2999.77,61 52165.1,62 219.923,63 23698,64 196,65 35.488,66 2.382,67 2.382,68 25.913,69 3.406,70 5.5}
{0 CHEMBL1999590,2 1,3 1,4 113.073,5 1,6 1.763,8 3.304,9 56,10 1.69,11 8.089,12 13645,13 17.769,14 23834,15 2.687,16 4.111,17 4.111,18 0.992,19 5.364,20 3.761,21 14.887,22 118.211,23 17.769,24 12.793,25 80.473,26 3.175,27 4.434,28 0.859,29 1.235,30 3.608,31 1,32 42.981,33 17.25,34 1.65,35 174.117,36 1.064,37 0.884,38 0.884,39 3.776,40 14.073,41 623,42 11.176,43 15.269,44 5.75,45 25.349,46 283,47 5.909,48 5.909,49 2.988,51 1.653,52 2.306,53 1.653,54 7.012,55 7.012,56 405.243,57 43.09,58 3.527,59 17.646,60 1167.31,61 14779.3,62 128.012,63 8140,64 99,65 25.345,66 2.086,67 2.086,68 18.379,69 2.897,70 5.9}
{0 CHEMBL1999714,2 2,3 -0.027,4 85.68,5 6,6 1.413,8 2.911,9 36,10 1.576,11 6.902,12 3451,13 11.828,14 5451,15 2.467,16 3.173,17 3.173,18 -0.417,19 5.186,20 3.268,21 9.527,22 69.487,23 11.828,24 8.237,25 50.817,26 2.74,27 3.859,28 -0.826,29 -1.155,30 3.069,31 -0.104,32 29.518,33 10.75,34 1.303,35 115.517,36 0.286,37 -0.817,38 -0.817,39 3.561,40 9.45,41 234,42 7.595,43 9.897,44 3.667,45 8.401,46 107,47 3.758,48 3.758,49 2.74,51 1.339,52 1.895,53 1.339,54 6.266,55 6.266,56 243.945,57 29.336,58 3.126,59 4.213,60 370.835,61 3216.23,62 67.81,63 2122,64 44,65 16.487,66 1.489,67 1.489,68 11.598,69 2.705,70 5.9}
{0 CHEMBL1999718,2 3,3 1.043,4 91.764,5 6,6 2.237,8 3.304,9 60,10 1.687,11 8.075,12 16623,13 16.234,14 34913,15 2.837,16 5.044,17 5.044,18 1,19 5.566,20 3.596,21 14.614,22 117.457,23 18.734,24 11.152,25 79.087,26 3.127,27 4.697,28 0.544,29 1.071,30 3.395,31 0.957,32 44.533,33 17.25,34 2.187,35 177.297,36 1.499,37 0.581,38 0.581,39 4.855,40 13.003,41 637,42 9.905,43 14.891,44 5.639,45 24.923,46 302,47 6.309,48 6.309,49 2.937,51 1.79,52 2.469,53 1.79,54 7.601,55 7.601,56 550.112,57 42.865,58 3.648,59 8.938,60 1185.71,61 15011,62 128.482,63 7885,64 103,65 25.324,66 2.102,67 2.102,68 17.559,69 3.086,70 5.9}
{0 CHEMBL1999811,2 4,3 0.879,4 67.076,5 5,6 1.961,8 3.187,9 51.5,10 1.65,11 7.711,12 11824,13 16.587,14 23404,15 2.766,16 3.814,17 3.814,18 0.632,19 5.335,20 3.614,21 12.739,22 104.042,23 16.234,24 11.631,25 75.789,26 3.117,27 4.186,28 0.239,29 0.291,30 3.421,31 1,32 37.827,33 14.75,34 1.548,35 168.901,36 1,37 0.249,38 0.249,39 4.316,40 12.411,41 523,42 10.439,43 13.176,44 5.083,45 17.705,46 242,47 5.383,48 5.383,49 2.977,51 1.548,52 2.321,53 1.548,54 6.77,55 6.77,56 438.557,57 37.799,58 3.372,59 7.214,60 895.024,61 10710.9,62 109.912,63 6065,64 90,65 23.037,66 1.921,67 1.921,68 15.742,69 2.836,70 5.9}
{0 CHEMBL1999931,2 4,3 1.323,4 149.073,5 7,6 2.179,8 3.44,9 64,10 1.726,11 8.493,12 20366,13 20.338,14 35659,15 2.911,16 5.946,17 5.946,18 1.2,19 6.015,20 3.843,21 17.152,22 139.207,23 20.338,24 14.759,25 91.969,26 3.347,27 5.042,28 1.002,29 1.5,30 3.724,31 1.288,32 51.901,33 19,34 1.985,35 206.149,36 1.355,37 1.01,38 1.01,39 3.924,40 15.987,41 866,42 13.124,43 17.623,44 6.528,45 34.329,46 388,47 6.167,48 6.167,49 3.21,51 1.983,52 2.732,53 1.983,54 8.545,55 8.545,56 454.565,57 51.207,58 3.747,59 15.786,60 1658.06,61 23500.7,62 155.863,63 12478,64 134,65 28.712,66 2.167,67 2.167,68 21.073,69 3.154,70 6.8}
{0 CHEMBL2000029,2 1,3 1.346,4 169.156,5 3,6 1.939,7 6.02,8 3.409,9 61,10 1.728,11 8.457,12 15203,13 19.794,14 25406,15 2.944,16 5.412,17 5.412,18 1.169,19 6.019,20 3.81,21 16.621,22 134.881,23 19.794,24 14.204,25 87.901,26 3.264,27 4.951,28 1.102,29 1.65,30 3.653,31 1.412,32 50.013,33 18,34 1.672,35 205.656,36 1.44,37 1.138,38 1.138,39 3.898,40 16.002,41 601,42 12.796,43 16.835,44 6.278,45 25.696,46 269,47 6.475,48 6.475,49 3.148,50 1,51 1.869,52 2.635,53 1.869,54 8.466,55 8.466,56 406.227,57 51.447,58 3.619,59 25.027,60 1373.06,61 18048.3,62 144.154,63 9641,64 97,65 26.956,66 2.196,67 2.196,68 20.254,69 2.965,70 5.5}
{0 CHEMBL2000071,2 4,3 0.685,4 67.701,5 3,6 1.341,8 3.059,9 43,10 1.623,11 7.352,12 5885,13 13.786,14 9616,15 2.687,16 3,17 3,18 0.07,19 5.203,20 3.482,21 11.333,22 82.439,23 13.786,24 9.898,25 61.913,26 2.96,27 3.635,28 -0.165,29 -0.207,30 3.231,31 0.821,32 32.34,33 13.25,34 1.215,35 128.49,36 1,37 -0.183,38 -0.183,39 3.674,40 11.004,41 357,42 8.163,43 12.275,44 4.611,45 14.52,46 167,47 3.165,48 3.165,49 2.812,51 1.33,52 1.667,53 1.33,54 6.25,55 6.25,56 277.133,57 33.143,58 3.054,59 14.222,60 596.009,61 5984.34,62 87.493,63 3551,64 55,65 19.7,66 1.607,67 1.607,68 14.399,69 2.721,70 6.8}
{0 CHEMBL2000114,3 -0.038,4 22.689,5 1,6 1.354,8 2.853,9 35,10 1.554,11 6.692,12 3415,13 11.734,14 5614,15 2.21,16 2.082,17 2.082,18 -0.537,19 5.108,20 3.46,21 9.057,22 64,23 11.38,24 8.421,25 55.283,26 2.914,27 3.35,28 -0.716,29 -1.094,30 3.168,31 -0.18,32 27.415,33 10.75,34 1.203,35 114.801,36 0.361,37 -0.846,38 -0.846,39 3.329,40 9.842,41 235,42 6.736,43 10.057,44 3.833,45 9.625,46 114,47 2.882,48 2.882,49 2.771,51 0.927,52 1.226,53 0.927,54 5.876,55 5.876,56 251.967,57 25.659,58 2.879,59 13.586,60 349.72,61 2998.2,62 64.005,63 1892,64 39,65 16.066,66 1.236,67 1.236,68 11.773,69 2.565,70 6.7}
{0 CHEMBL2000354,2 4,3 1.01,4 103.277,5 5,6 2.296,8 3.188,9 50,10 1.654,11 7.72,12 10390,13 16.587,14 18673,15 2.809,16 3.747,17 3.747,18 1,19 5.493,20 3.765,21 13.043,22 100.042,23 16.234,24 11.56,25 74.082,26 3.011,27 4.192,30 3.166,31 1,32 39.996,33 14.5,34 1.887,35 169.63,36 1.106,39 3.915,40 13.132,41 522,42 10.544,43 13.576,44 5.139,45 20.442,46 245,47 5.414,48 5.414,49 2.881,51 1.478,52 1.978,53 1.478,54 7.383,55 7.383,56 394.568,57 37.861,58 3.5,59 10.193,60 891.795,61 10336.9,62 108.94,63 5788,64 84,65 22.867,66 1.872,67 1.872,68 16.095,69 2.889,70 5.9}
{0 CHEMBL2000393,2 1,3 1.563,4 95.033,5 2,6 2.686,8 3.473,9 70,10 1.741,11 8.631,12 21448,13 19.372,14 42717,15 2.934,16 5.964,17 5.964,18 1.509,19 6.538,20 3.826,21 18.897,22 153.58,23 21.112,24 14.293,25 96.564,26 3.326,27 5.261,28 1.282,29 1.684,30 3.444,31 1.505,32 57.542,33 22.75,34 2.32,35 251.34,36 1.947,37 1.338,38 1.338,39 4.305,40 15.919,41 726,42 13.04,43 18.581,44 6.528,45 25.819,46 319,47 7.475,48 7.475,49 3.217,51 2.116,52 2.805,53 2.116,54 10.243,55 10.243,56 598.431,57 58.033,58 3.937,59 15.621,60 1631.12,61 21991.4,62 157.63,63 11720,64 116,65 28.431,66 2.321,67 2.321,68 21.944,69 3.175,70 7.1}
{0 CHEMBL2000408,3 1.335,4 71.137,5 1,6 2.513,8 3.503,9 71,10 1.753,11 8.738,12 20913,13 21.303,14 36546,15 2.961,16 6.287,17 6.287,18 1.231,19 6.373,20 3.78,21 18.107,22 158,23 23.043,24 14.376,25 96.194,26 3.325,27 5.192,28 1.095,29 1.683,30 3.614,31 1.479,32 54.706,33 21.5,34 2.304,35 229.357,36 1.882,37 1.15,38 1.15,39 4.341,40 18.318,41 734,42 13.606,43 18.318,44 6.861,45 31.508,46 346,47 7.066,48 7.066,49 3.234,51 2.15,52 2.894,53 2.15,54 9.638,55 9.638,56 542.73,57 56.043,58 3.838,59 33.991,60 1750.48,61 24625,62 164.748,63 11958,64 116,65 29.219,66 2.398,67 2.398,68 21.486,69 3.085,70 5.9}
{0 CHEMBL2000429,3 1.491,4 75.951,5 1,6 2.614,8 3.561,9 76,10 1.769,11 8.917,12 24666,13 22.717,14 43034,15 2.974,16 6.267,17 6.267,18 1.335,19 6.39,20 3.776,21 19.361,22 168.974,23 24.457,24 15.376,25 103.056,26 3.443,27 5.209,28 1.187,29 1.793,30 3.614,31 1.537,32 57.481,33 23,34 2.308,35 240.955,36 1.831,37 1.258,38 1.258,39 4.443,40 19.38,41 790,42 14.372,43 19.81,44 7.361,45 36.225,46 375,47 7.175,48 7.175,49 3.416,51 2.176,52 2.854,53 2.176,54 9.727,55 9.727,56 582.568,57 58.565,58 3.825,59 34.152,60 2018.48,61 29837.1,62 178.773,63 14074,64 129,65 30.771,66 2.43,67 2.43,68 23.053,69 3.213,70 5.9}
{0 CHEMBL2000481,2 5,3 1.42,4 142.931,5 8,6 2.279,7 5.349,8 3.531,9 72.5,10 1.748,11 8.761,12 28407,13 23.674,14 52942,15 3.219,16 5.593,17 5.593,18 1.341,19 6.064,20 3.824,21 18.129,22 160.465,23 23.424,24 16.707,25 107.78,26 3.346,27 5.04,28 1.142,29 1.51,30 3.719,31 1.381,32 57.001,33 20.5,34 2.189,35 264.706,36 1.73,37 1.152,38 1.152,39 4.682,40 18.225,41 996,42 15.864,43 19.367,44 7.264,45 36.408,46 463,47 6.905,48 6.905,49 3.264,51 1.963,52 2.638,53 1.963,54 8.751,55 8.751,56 567.871,57 55.62,58 3.814,59 24.473,60 2077.47,61 32064.8,62 177.649,63 15739,64 165,65 31.066,66 2.317,67 2.317,68 22.438,69 3.327,70 5.9}
{0 CHEMBL2000508,3 0.985,4 91.803,6 1.461,8 3.105,9 45,10 1.639,11 7.513,12 7219,13 13.717,14 13526,15 2.687,16 4.008,17 4.008,18 0.359,19 5.725,20 3.768,21 12.732,22 84.239,23 14.234,24 10.387,25 68.812,26 2.841,27 4.409,28 0.208,29 0.343,30 3.306,31 0.983,32 36.756,33 14,34 1.215,35 168.916,36 1,37 0.24,38 0.24,39 3.674,40 11.718,41 361,42 9.211,43 12.209,44 4.556,45 13.986,46 162,47 4.606,48 4.606,49 2.735,51 1.414,52 2.094,53 1.414,54 7.682,55 7.682,56 368.119,57 37.161,58 3.417,59 12.286,60 635.374,61 6513.98,62 92.245,63 3969,64 56,65 20.259,66 1.705,67 1.705,68 15.138,69 2.687,70 5.9}
{0 CHEMBL2000568,2 1,3 0.314,4 83.168,5 1,6 1.406,8 2.961,9 38,10 1.587,11 7.033,12 4573,13 12.535,14 7619,15 2.522,16 2.843,17 2.843,18 -0.495,19 5.808,20 3.378,21 9.997,22 75.059,23 12.535,24 8.737,25 53.909,26 2.77,27 3.715,28 -0.754,29 -0.998,30 3.175,31 0.385,32 31.018,33 11.25,34 1.154,35 118.491,36 0.409,37 -0.754,38 -0.754,39 3.553,40 9.974,41 282,42 7.955,43 10.282,44 3.917,45 10.617,46 130,47 4.091,48 4.091,49 2.675,51 1.225,52 1.804,53 1.225,54 7.811,55 7.811,56 262.802,57 30.793,58 3.497,59 8.416,60 460.808,61 4276.05,62 75.527,63 2730,64 49,65 17.868,66 1.534,67 1.534,68 12.297,69 2.609,70 5.8}
{0 CHEMBL2000724,2 2,3 1.057,4 120.389,5 6,6 2.219,8 3.268,9 53,10 1.68,11 7.979,12 11813,13 17.389,14 21171,15 2.703,16 5.754,17 5.754,18 1,19 5.829,20 3.688,21 14.077,22 112.096,23 17.389,24 12.152,25 75.161,26 3.145,27 5.026,28 0.76,29 1.111,30 3.323,31 1.022,32 45.197,33 15.5,34 2.111,35 171.6,36 1.174,37 0.777,38 0.777,39 3.984,40 13.485,41 579,42 11.008,43 14.47,44 5.472,45 20.576,46 264,47 5.911,48 5.911,49 3.046,51 1.976,52 2.743,53 1.976,54 7.988,55 7.988,56 384.405,57 43.844,58 3.542,59 12.271,60 1038.93,61 12255.7,62 119.768,63 6805,64 88,65 24.069,66 2.062,67 2.062,68 17.295,69 3.01,70 5.5}
{0 CHEMBL2000801,2 5,3 1.429,4 126.548,5 5,6 2.398,8 3.44,9 68.5,10 1.722,11 8.479,12 25221,13 18.286,14 52797,15 2.951,16 6.296,17 6.296,18 1,19 5.783,20 3.846,21 17.269,22 138.452,23 21.303,24 13.141,25 95.403,26 3.381,27 5.203,28 1,29 1.5,30 3.487,31 1.406,32 50.816,33 19,34 2.297,35 230.166,36 1.528,37 1,38 1,39 4.714,40 15.943,41 799,42 12.028,43 17.071,44 6.361,45 30.333,46 368,47 7.093,48 7.093,49 3.148,51 2.138,52 2.707,53 2.138,54 7.933,55 7.933,56 632.713,57 50.949,58 3.661,59 11.08,60 1656.9,61 24181.3,62 156.944,63 12475,64 143,65 28.786,66 2.364,67 2.364,68 20.325,69 3.256,70 6.1}
{0 CHEMBL2000832,2 5,3 1.888,4 182.046,5 9,6 2.804,8 3.616,9 79,10 1.772,11 9.015,12 34895,13 24.363,14 65105,15 3.054,16 7.419,17 7.419,18 1.688,19 6.17,20 3.853,21 20.196,22 186.117,23 25.233,24 17.012,25 109.421,26 3.384,27 5.499,28 1.399,29 1.963,30 3.718,31 1.465,32 62.616,33 23,34 2.494,35 248.346,36 1.983,37 1.426,38 1.426,39 4.646,40 19.263,41 1137,42 15.316,43 21.229,44 7.833,45 49.198,46 521,47 8.019,48 8.019,49 3.223,51 2.449,52 3.167,53 2.449,54 9.086,55 9.086,56 601.855,57 62.116,58 3.822,59 25.042,60 2525.09,61 40774.5,62 198.083,63 19799,64 185,65 33.281,66 2.555,67 2.555,68 24.731,69 3.245,70 6.2}
{0 CHEMBL2000879,2 1,3 -0.665,4 56.509,5 1,6 1.033,8 2.796,9 31,10 1.529,11 6.497,12 2527,13 10.088,14 3779,15 2.184,16 2.305,17 2.305,18 -0.882,19 4.512,20 3.265,21 8.525,22 54.603,23 10.088,24 7.433,25 45.55,26 2.687,27 3.406,28 -0.988,29 -1.242,30 2.889,31 -0.514,32 25.29,33 9,34 1,35 97.58,36 -0.262,37 -1,38 -1,39 3.107,40 8.61,41 212,42 6.422,43 9.22,44 3.306,45 7.36,46 95,47 2.79,48 2.79,49 2.735,51 1,52 1.5,53 1,54 4.624,55 4.624,56 173.034,57 25.365,58 2.828,59 4.131,60 292.676,61 2345.58,62 57.87,63 1699,64 35,65 15.055,66 1.248,67 1.248,68 10.633,69 2.577,70 4.1}
{0 CHEMBL2000894,2 2,3 1.372,4 148.912,5 2,6 2.326,7 5.269,8 3.409,9 63,10 1.729,11 8.463,12 15989,13 20.543,14 28916,15 2.947,16 5.438,17 5.438,18 1.127,19 6.183,20 3.747,21 15.977,22 136.881,23 20.543,24 13.99,25 87.623,26 3.154,27 4.939,28 0.983,29 1.5,30 3.525,31 1.312,32 50.795,33 18.25,34 2.03,35 201.085,36 1.529,37 1,38 1,39 4.548,40 15.586,41 582,42 12.666,43 17.032,44 6.389,45 26.193,46 272,47 6.687,48 6.687,49 3.027,50 1,51 1.904,52 2.675,53 1.904,54 9.165,55 9.165,56 465.758,57 51.019,58 3.84,59 25.74,60 1358.73,61 17619.1,62 143.389,63 9004,64 97,65 26.763,66 2.256,67 2.256,68 19.803,69 3.048,70 5.9}
{0 CHEMBL2001019,2 1,3 1.326,4 65.373,6 1.887,8 3.375,9 61,10 1.709,11 8.297,12 17055,13 18.924,14 30998,15 2.911,16 5.526,17 5.526,18 1.165,19 6.139,20 3.842,21 16.506,22 134.606,23 18.924,24 13.797,25 87.356,26 3.281,27 4.955,28 0.892,29 1.168,30 3.429,31 1.361,32 48.277,33 19.25,34 1.624,35 203.536,36 1.42,37 0.963,38 0.963,39 4.082,40 14.842,41 756,42 12.282,43 16.7,44 6.111,45 27.459,46 337,47 6.731,48 6.731,49 3.216,51 1.829,52 2.614,53 1.829,54 9.077,55 9.077,56 456.271,57 48.87,58 3.796,59 14.036,60 1392.28,61 18370.5,62 141.181,63 10047,64 113,65 26.87,66 2.242,67 2.242,68 20.024,69 3.107,70 5.5}
{0 CHEMBL2001149,3 1.539,4 146.428,5 4,6 2.645,8 3.531,9 70,10 1.743,11 8.73,12 30226,13 22.717,14 56034,15 3.117,16 6.108,17 6.108,18 1.471,19 5.936,20 3.997,21 19.714,22 126.465,23 22.363,24 16.511,25 103.485,26 3.44,27 5.044,28 1.218,29 1.88,30 3.732,31 1.477,32 60.862,33 21.5,34 2.314,35 254.747,36 1.559,37 1.306,38 1.306,39 4.151,40 18.097,41 1166,42 15.832,43 19.023,44 6.944,45 40.937,46 510,47 7.57,48 7.57,49 3.26,51 2.2,52 3.069,53 2.2,54 8.391,55 8.391,56 518.117,57 58.738,58 3.7,59 18.011,60 2150.72,61 34307,62 179.975,63 18090,64 180,65 31.565,66 2.473,67 2.473,68 23.148,69 3.288,70 5.5}
{0 CHEMBL2001224,2 4,3 1.152,4 56.844,5 3,6 2.507,8 3.304,9 56.833,10 1.692,11 8.1,12 14026,13 19.018,14 25052,15 2.933,16 5.36,17 5.36,18 1,19 5.549,20 3.712,21 14.58,22 118.211,23 18.518,24 12.835,25 81.924,26 3.289,27 4.795,28 0.58,29 0.715,30 3.481,31 0.915,32 44.75,33 17.25,34 2.199,35 177.016,36 1.57,37 0.618,38 0.618,39 4.07,40 15.007,41 607,42 11.575,43 15.673,44 5.806,45 24.183,46 286,47 6.496,48 6.496,49 3.024,51 1.909,52 2.429,53 1.909,54 7.481,55 7.481,56 450.868,57 41.968,58 3.492,59 31.131,60 1162.84,61 14815.1,62 128.063,63 7807,64 98,65 25.283,66 2.227,67 2.227,68 17.92,69 3.099,70 5.9}
{0 CHEMBL2001239,2 6,3 1.216,4 110.273,5 4,6 2.511,7 5.514,8 3.441,9 69.833,10 1.736,11 8.551,12 22808,13 19.889,14 48806,15 2.93,16 6.063,17 6.063,18 1.154,19 5.757,20 3.744,21 17.104,22 138.452,23 21.889,24 13.207,25 93.828,26 3.308,27 5.049,28 1,29 1.5,30 3.659,31 1.291,32 49.07,33 20.25,34 2.395,35 214.582,36 1.822,37 1,38 1,39 4.946,40 15.791,41 602,42 12.393,43 16.899,44 6.417,45 30.8,46 291,47 6.401,48 6.401,49 3.003,51 2.197,52 2.825,53 2.197,54 7.944,55 7.944,56 653.484,57 49.746,58 3.615,59 21.755,60 1524.79,61 21556.3,62 153.062,63 10519,64 117,65 28.078,66 2.231,67 2.231,68 20.026,69 3.132,70 5.9}
{0 CHEMBL2001257,1 1,2 8,3 1.813,4 144.535,5 10,6 2.554,7 6.281,8 3.588,9 73.5,10 1.764,11 8.926,12 30062,13 25.139,14 48168,15 3.243,16 6.626,17 6.626,18 1.24,19 5.63,20 3.805,21 19.392,22 169.525,23 24.786,24 17.432,25 109.158,26 3.467,27 5.269,28 1.178,29 1.729,30 3.635,31 1.6,32 57.439,33 21.75,34 2.293,35 242.034,36 1.996,37 1.181,38 1.181,39 4.253,40 21,41 1137,42 15.43,43 20.74,44 7.889,45 51.086,46 536,47 6.774,48 6.774,49 3.334,50 3,51 2.223,52 2.777,53 2.223,54 7.806,55 7.806,56 490.861,57 58.33,58 3.66,59 33.332,60 2435.13,61 40165.4,62 193.362,63 19136,64 185,65 32.929,66 2.429,67 2.429,68 24.352,69 3.382,70 7.3}
{0 CHEMBL2001288,1 1,2 1,3 0.565,4 39.029,5 1,6 1.947,7 5.783,8 3.06,9 45.9,10 1.625,11 7.373,12 6604,13 15.939,14 13142,15 2.603,16 4.666,17 4.666,18 0.093,19 5.963,20 3.718,21 11.895,22 86.439,23 14.439,24 10.407,25 75.634,26 3.028,27 4.772,28 -0.108,29 -0.348,30 3.245,31 0.453,32 34.991,33 14.25,34 1.302,35 217.302,36 1.209,37 -0.289,38 -0.289,39 4.381,40 12.245,41 303,42 9.925,43 12.062,44 4.389,45 12.12,46 143,47 5.375,48 5.375,49 2.787,51 1.587,52 1.76,53 1.587,54 8.101,55 8.101,56 411.144,57 36.812,58 3.33,59 36.444,60 558.062,61 5470.59,62 85.768,63 3223,64 52,65 19.156,66 1.876,67 1.876,68 13.901,69 2.861,70 6}
{0 CHEMBL2001398,2 4,3 1,4 116.304,5 6,6 2.091,7 11.31,8 3.304,9 56,10 1.694,11 8.106,12 11916,13 18.897,14 18727,15 2.815,16 5.414,17 5.414,18 0.845,19 6.14,20 3.648,21 14.111,22 113.457,23 18.897,24 12.243,25 76.429,26 3.204,27 4.939,28 0.748,29 1.014,30 3.39,31 1.058,32 43.652,33 15.75,34 1.84,35 171.088,36 1.254,37 0.771,38 0.771,39 4.303,40 15.297,41 547,42 12.255,43 14.76,44 5.514,45 25.095,46 263,47 6.372,48 6.372,49 3.073,50 2,51 1.867,52 2.625,53 1.867,54 9.024,55 9.024,56 366.339,57 43.792,58 3.84,59 26.262,60 1134.86,61 14184.8,62 126.842,63 7349,64 95,65 24.969,66 2.146,67 2.146,68 16.945,69 3.043,70 5.6}
{0 CHEMBL2001485,1 1,2 9,3 2.004,4 178.265,5 9,6 2.666,7 6.35,8 3.693,9 83.5,10 1.79,11 9.239,12 41774,13 28.035,14 71740,15 3.387,16 6.992,17 6.992,18 1.92,19 6.319,20 3.884,21 21.949,22 196.131,23 27.681,24 19.161,25 121.267,26 3.556,27 5.487,28 1.48,29 2.033,30 3.799,31 1.793,32 67.381,33 25.25,34 2.479,35 289.55,36 2.238,37 1.541,38 1.541,39 4.563,40 22.913,41 1405,42 18.004,43 22.549,44 8.417,45 59.813,46 651,47 7.569,48 7.569,49 3.424,50 3,51 2.388,52 3.059,53 2.388,54 9.423,55 9.423,56 602.422,57 67.935,58 3.793,59 36.871,60 3095.37,61 54424.2,62 221.751,63 25420,64 217,65 35.771,66 2.566,67 2.566,68 26.466,69 3.424,70 5.9}
{0 CHEMBL2001539,3 -1.515,4 27.612,5 2,6 0.618,8 2.606,9 25,10 1.463,11 5.889,12 1445,13 8.32,14 2286,15 1.967,16 1.609,17 1.609,18 -1.618,19 4.743,20 3.087,21 7.338,22 43.02,23 7.966,24 6.404,25 41.192,26 2.404,27 3.33,28 -1.53,29 -2.427,30 2.69,31 -0.867,32 21.337,33 7.5,34 0.423,35 105.12,36 -0.895,37 -1.618,38 -1.618,39 2.66,40 7.318,41 114,42 5.87,43 7.319,44 2.583,45 3.333,46 50,47 2.642,48 2.642,49 2.329,51 0.618,52 0.927,53 0.618,54 4.96,55 4.96,56 185.53,57 21.493,58 2.712,60 144.169,61 1001.08,62 40.003,63 857,64 22,65 11.575,66 1.139,67 1.139,68 8.763,69 1.99,70 4.2}
{0 CHEMBL2001547,3 1.342,4 71.137,5 1,6 2.518,8 3.473,9 69,10 1.746,11 8.649,12 19356,13 20.433,14 34283,15 2.937,16 6.244,17 6.244,18 1.149,19 6.384,20 3.771,21 17.736,22 151.58,23 22.173,24 13.96,25 93.533,26 3.317,27 5.193,28 1.046,29 1.626,30 3.561,31 1.344,32 52.496,33 21,34 2.047,35 221.246,36 1.491,37 1.1,38 1.1,39 4.328,40 17.395,41 666,42 13.194,43 17.895,44 6.653,45 29.798,46 314,47 7.115,48 7.115,49 3.282,51 2.147,52 2.848,53 2.147,54 9.689,55 9.689,56 534.932,57 53.676,58 3.827,59 31.505,60 1618.02,61 22220.4,62 157.7,63 10937,64 109,65 28.422,66 2.39,67 2.39,68 21.026,69 3.131,70 5.9}
{0 CHEMBL2001584,2 6,3 2.161,4 141.042,5 9,6 2.718,8 3.81,9 95.5,10 1.821,11 9.605,12 55220,13 31.432,14 92690,15 3.196,16 7.512,17 7.512,18 2.002,19 6.393,20 3.871,21 24.289,22 227.46,23 31.432,24 21.045,25 132.215,26 3.613,27 5.684,28 1.511,29 2.088,30 3.723,31 1.827,32 76.604,33 28.5,34 2.567,35 298.482,36 2.174,37 1.542,38 1.542,39 4.7,40 25.386,41 1642,42 19.719,43 26.44,44 9.556,45 68.027,46 764,47 8.64,48 8.64,49 3.514,51 2.497,52 3.147,53 2.497,54 9.677,55 9.677,56 659.961,57 74.887,58 3.962,59 45.995,60 4020.71,61 76772.4,62 258.36,63 34322,64 257,65 39.26,66 2.747,67 2.747,68 29.697,69 3.492,70 5.5}
{0 CHEMBL2001613,2 3,3 -1.665,4 34.057,5 2,6 0.268,8 2.529,9 23.75,10 1.431,11 5.622,12 1400,13 8.845,14 2586,15 1.292,16 -0.565,17 -0.565,18 -1.891,19 4.918,20 3.197,21 6.411,22 38.054,23 7.845,24 5.848,25 41.482,26 2.334,27 2.376,28 -1.814,29 -2.841,30 2.756,31 -1.186,32 18.407,33 6.75,34 -0.398,35 102.226,36 -1.205,37 -1.906,38 -1.906,39 2.436,40 7.09,41 99,42 5.713,43 6.058,44 2.389,45 3.405,46 47,47 1.625,48 1.625,49 1.958,51 -0.253,52 -0.316,53 -0.253,54 5.379,55 5.379,56 223.664,57 19.022,58 2.772,60 120.165,61 787.093,62 35.454,63 650,64 19,65 10.65,66 0.708,67 0.708,68 7.57,69 2.115,70 4.3}
{0 CHEMBL2001641,3 -0.414,4 44.95,6 1.248,8 2.961,9 39.5,10 1.584,11 7.022,12 4712,13 12.751,14 7909,15 2.255,16 3.233,17 3.233,18 -0.582,19 5.996,20 3.396,21 10.245,22 73.059,23 12.751,24 8.538,25 54.164,26 2.804,27 4.103,28 -0.857,29 -1,30 3.115,31 0.375,32 30.747,33 11.5,34 0.989,35 131.011,36 0.394,37 -0.913,38 -0.913,39 3.467,40 10.123,41 283,42 8.66,43 10.152,44 3.722,45 11.111,46 131,47 4.224,48 4.224,49 2.778,51 1.195,52 1.705,53 1.195,54 8.56,55 8.56,56 288.612,57 30.806,58 3.596,59 10.399,60 463.267,61 4297.35,62 75.643,63 2741,64 50,65 17.876,66 1.534,67 1.534,68 11.995,69 2.499,70 4.6}
{0 CHEMBL2001751,2 4,3 1.589,4 154.348,5 3,6 2.524,7 6.386,8 3.615,9 77,10 1.771,11 9.017,12 34295,13 24.485,14 60587,15 3.25,16 6.562,17 6.562,18 1.546,19 6.157,20 3.843,21 20.752,22 186.117,23 24.485,24 17.636,25 109.862,26 3.501,27 5.261,28 1.371,29 2.015,30 3.74,31 1.649,32 63.515,33 23.5,34 2.398,35 251.742,36 1.905,37 1.434,38 1.434,39 4.354,40 19.401,41 1208,42 16.017,43 21.495,44 7.75,45 43.676,46 534,47 6.936,48 6.936,49 3.48,50 2,51 2.269,52 2.81,53 2.269,54 9.141,55 9.141,56 532.979,57 62.445,58 3.837,59 26.369,60 2545.19,61 42262.1,62 199.567,63 21307,64 190,65 33.517,66 2.438,67 2.438,68 25.175,69 3.347,70 7.9}
{0 CHEMBL2001920,2 2,3 0.817,4 50.021,5 2,6 2.526,8 2.963,9 38.75,10 1.595,11 7.071,12 5359,13 14.715,14 11349,15 2.692,16 4.595,17 4.595,18 0.746,19 5.427,20 3.869,21 10.775,22 75.059,23 12.861,24 9.833,25 68.663,26 3.145,27 4.649,28 -0.507,29 -0.908,30 3.389,31 -0.096,32 35.488,33 11.5,34 1.912,35 188.145,36 0.876,37 -0.676,38 -0.676,39 3.559,40 11.962,41 244,42 10.379,43 10.448,44 3.806,45 9.778,46 114,47 4.991,48 4.991,49 2.715,51 1.604,52 2.109,53 1.604,54 6.698,55 6.698,56 412.952,57 33.025,58 3.252,59 18.058,60 425.275,61 3889.18,62 73.706,63 2443,64 42,65 17.368,66 1.772,67 1.772,68 12.323,69 2.896,70 6.7}
{0 CHEMBL2001923,2 3,3 2.475,4 204.346,5 7,6 2.848,8 3.934,9 110,10 1.848,11 9.951,12 90641,13 31.581,14 169376,15 3.352,16 8.359,17 8.359,18 2.311,19 6.312,20 3.902,21 29.512,22 268.193,23 34.191,24 23.175,25 153.891,26 3.75,27 5.973,28 1.732,29 2.578,30 3.873,31 2.16,32 89.142,33 33.5,34 2.792,35 366.032,36 2.592,37 1.879,38 1.879,39 4.787,40 26.888,41 2307,42 20.766,43 30.134,44 10.694,45 92.853,46 1023,47 8.995,48 8.995,49 3.74,51 2.493,52 3.255,53 2.493,54 9.32,55 9.32,56 842.252,57 88.032,58 3.92,59 37.216,60 5482.49,61 117780,62 306.747,63 53358,64 343,65 43.794,66 2.777,67 2.777,68 35.132,69 3.565,70 5.5}
{0 CHEMBL2001957,3 1.462,4 76.307,5 1,6 2.64,8 3.589,9 81,10 1.775,11 8.995,12 30663,13 21.847,14 59711,15 2.976,16 6.99,17 6.99,18 1.264,19 6.404,20 3.776,21 20.246,22 168.77,23 25.217,24 15.02,25 106.811,26 3.56,27 5.41,28 1.056,29 1.656,30 3.621,31 1.431,32 58.957,33 24,34 2.354,35 251.438,36 1.559,37 1.129,38 1.129,39 4.957,40 18.844,41 854,42 13.532,43 20.31,44 7.458,45 41.404,46 407,47 8.204,48 8.204,49 3.261,51 2.366,52 3.083,53 2.366,54 9.974,55 9.974,56 693.463,57 59.363,58 3.9,59 30.563,60 2192.45,61 33534.6,62 186.758,63 15638,64 140,65 31.705,66 2.656,67 2.656,68 23.683,69 3.233,70 5.9}
{0 CHEMBL2001987,2 2,3 1.189,4 87.033,5 5,6 2.421,8 3.304,9 62.5,10 1.69,11 8.099,12 16553,13 14.656,14 36635,15 2.68,16 5.17,17 5.17,18 0.851,19 5.74,20 3.507,21 14.862,22 117.457,23 18.897,24 10.22,25 79.757,26 3.235,27 4.756,28 0.197,29 0.285,30 3.362,31 1.16,32 43.382,33 17.5,34 1.845,35 188.669,36 1.294,37 0.227,38 0.227,39 4.902,40 12.734,41 538,42 9.114,43 14.548,44 5.528,45 19.692,46 255,47 6.071,48 6.071,49 2.963,51 1.938,52 2.62,53 1.938,54 7.723,55 7.723,56 620.122,57 43.77,58 3.557,59 7.052,60 1128.31,61 14197.3,62 127.11,63 7453,64 99,65 24.964,66 2.134,67 2.134,68 17.329,69 3.042,70 5.5}
{0 CHEMBL2002099,3 1,4 49.931,5 1,6 1.721,8 3.189,9 49,10 1.66,11 7.757,12 8528,13 15.648,14 13930,15 2.675,16 3.65,17 3.65,18 0.737,19 5.787,20 3.661,21 13.317,22 100.042,23 15.648,24 11.365,25 70.932,26 3.202,27 4.13,28 0.618,29 0.652,30 3.382,31 0.945,32 41.503,33 15.5,34 1.548,35 160.435,36 1.107,37 0.618,38 0.618,39 3.676,40 12.813,41 419,42 9.78,43 14.344,44 5.139,45 17.149,46 189,47 4.488,48 4.488,49 3.035,51 1.548,52 2.077,53 1.548,54 7.9,55 7.9,56 323.385,57 39.513,58 3.498,59 11.964,60 817.862,61 9238.71,62 106.314,63 5381,64 76,65 22.279,66 1.661,67 1.661,68 16.506,69 2.871,70 5.6}
{0 CHEMBL2002165,1 1,2 8,3 1.865,4 162.703,5 9,6 2.535,7 6.286,8 3.615,9 78.5,10 1.77,11 9.008,12 36034,13 24.717,14 66752,15 3.35,16 6.9,17 6.9,18 1.417,19 5.789,20 3.879,21 20.692,22 182.117,23 25.233,24 17.428,25 113.397,26 3.459,27 5.377,28 1.288,29 1.799,30 3.796,31 1.687,32 61.322,33 23.25,34 2.333,35 267.937,36 2.162,37 1.34,38 1.34,39 4.661,40 20.09,41 1198,42 16.155,43 20.87,44 7.75,45 50.25,46 550,47 7.206,48 7.206,49 3.366,50 3,51 2.294,52 2.941,53 2.294,54 7.955,55 7.955,56 600.996,57 62.251,58 3.7,59 27.536,60 2566.87,61 42347.1,62 199.473,63 20516,64 188,65 33.496,66 2.461,67 2.461,68 24.729,69 3.379,70 8.4}
{0 CHEMBL2002202,2 1,3 0.237,4 87.281,5 2,6 1.37,8 2.909,9 35.833,10 1.568,11 6.86,12 4266,13 12.328,14 7745,15 2.414,16 3.155,17 3.155,18 -0.621,19 5.044,20 3.425,21 9.661,22 65.487,23 11.828,24 8.526,25 53.63,26 2.835,27 4.009,28 -0.817,29 -1.146,30 3.128,31 -0.089,32 30.037,33 10.5,34 1.117,35 122.584,36 0.461,37 -0.823,38 -0.823,39 3.608,40 9.791,41 267,42 7.98,43 9.987,44 3.667,45 9.654,46 122,47 4.184,48 4.184,49 2.735,51 1.181,52 1.594,53 1.181,54 6.09,55 6.09,56 283.867,57 29.76,58 3.192,59 8.199,60 402.157,61 3539.54,62 69.502,63 2342,64 44,65 16.926,66 1.491,67 1.491,68 11.684,69 2.687,70 4.1}
{0 CHEMBL2002479,2 4,3 1.521,4 119.07,5 5,6 2.57,7 5.557,8 3.502,9 69.333,10 1.743,11 8.679,12 25317,13 22.579,14 46373,15 3.068,16 6.125,17 6.125,18 1.483,19 6.051,20 3.78,21 18.545,22 156,23 22.079,24 15.89,25 100.712,26 3.494,27 5.081,28 1.207,29 1.635,30 3.616,31 1.547,32 55.757,33 21.25,34 2.27,35 232.943,36 1.818,37 1.245,38 1.245,39 4.33,40 17.908,41 967,42 14.58,43 19.35,44 6.972,45 36.648,46 437,47 6.841,48 6.841,49 3.214,51 2.197,52 2.93,53 2.197,54 8.617,55 8.617,56 528.746,57 55.583,58 3.698,59 25.312,60 1922.27,61 28624.1,62 169.8,63 14641,64 149,65 30.215,66 2.341,67 2.341,68 22.428,69 3.297,70 5.9}
{0 CHEMBL2002586,2 1,3 1.256,4 60.766,5 3,6 2.169,8 3.34,9 57.833,10 1.699,11 8.196,12 14873,13 19.071,14 26144,15 2.927,16 6.015,17 6.015,18 1.142,19 5.578,20 3.746,21 16.736,22 122.382,23 18.217,24 14.002,25 90.479,26 3.488,27 5.11,28 0.925,29 1.103,30 3.594,31 1.013,32 47.204,33 19,34 2.079,35 226.172,36 1.369,37 1,38 1,39 3.932,40 16.315,41 679,42 13.013,43 16.875,44 5.778,45 24.881,46 298,47 6.322,48 6.322,49 3.155,51 1.993,52 2.511,53 1.993,54 7.664,55 7.664,56 442.25,57 47.073,58 3.616,59 21.74,60 1264.69,61 16294.4,62 134.275,63 9167,64 108,65 26.055,66 2.179,67 2.179,68 19.56,69 3.262,70 5.5}
{0 CHEMBL2002599,2 2,3 1.491,4 55.72,5 3,6 2.123,8 3.375,9 61,10 1.711,11 8.309,12 16242,13 18.924,14 28625,15 2.866,16 5.061,17 5.061,18 1.262,19 5.88,20 3.789,21 16.666,22 128.606,23 18.924,24 13.759,25 86.932,26 3.297,27 4.706,28 0.915,29 1.414,30 3.456,31 1.321,32 49.401,33 20,34 1.857,35 200.057,36 1.519,37 1,38 1,39 4.041,40 15.207,41 723,42 12.451,43 17.323,44 6.028,45 26.663,46 320,47 6.445,48 6.445,49 3.081,51 1.857,52 2.586,53 1.857,54 8.149,55 8.149,56 430.519,57 48.333,58 3.575,59 20.374,60 1372.05,61 18081,62 140.714,63 9957,64 109,65 26.833,66 2.207,67 2.207,68 19.966,69 3.018,70 5.5}
{0 CHEMBL2002649,2 1,3 0.59,4 67.435,5 1,6 1.258,8 2.962,9 39.5,10 1.591,11 7.048,12 4720,13 12.535,14 8256,15 2.471,16 2.795,17 2.795,18 -0.195,19 5.302,20 3.424,21 10.255,22 75.059,23 12.535,24 8.775,25 55.706,26 2.842,27 3.69,28 -0.623,29 -0.812,30 3.007,31 0.445,32 31.16,33 12.25,34 1.148,35 124.008,36 0.618,37 -0.627,38 -0.627,39 3.585,40 9.728,41 274,42 7.774,43 10.805,44 4,45 11.432,46 127,47 4.823,48 4.823,49 2.741,51 1.229,52 1.738,53 1.229,54 6.777,55 6.777,56 298.648,57 30.505,58 3.337,59 9.058,60 451.237,61 4179.62,62 75.018,63 2648,64 46,65 17.768,66 1.652,67 1.652,68 12.729,69 2.571,70 5.9}
{0 CHEMBL2002690,2 7,3 1,4 127.864,5 9,6 1.941,8 3.304,9 55.5,10 1.69,11 8.094,12 13710,13 18.286,14 24453,15 2.847,16 4.862,17 4.862,18 1,19 5.476,20 3.675,21 15.033,22 118.211,23 17.933,24 13.112,25 82.683,26 3.319,27 4.642,28 1,29 1.5,30 3.527,31 1.284,32 44.243,33 16.5,34 1.592,35 193.863,36 1.425,37 1,38 1,39 3.953,40 14.456,41 596,42 12.021,43 15.085,44 5.694,45 21.231,46 270,47 5.608,48 5.608,49 3.049,51 1.754,52 2.48,53 1.754,54 7.257,55 7.257,56 417.522,57 44.22,58 3.444,59 16.179,60 1148.94,61 14520.9,62 127.683,63 8011,64 101,65 25.187,66 2,67 2,68 18.23,69 2.925,70 5.5}
{0 CHEMBL2002702,2 2,3 -0.134,4 69.913,5 2,6 1.526,8 2.962,9 38,10 1.59,11 7.049,12 4183,13 12.698,14 6478,15 2.535,16 3.629,17 3.629,18 -0.194,19 5.459,20 3.378,21 10.02,22 75.059,23 12.698,24 8.648,25 53.281,26 2.878,27 4.182,28 -0.622,29 -0.748,30 2.988,31 -0.061,32 31.727,33 11.25,34 1.416,35 123.157,36 0.527,37 -0.624,38 -0.624,39 3.589,40 10.372,41 277,42 8.135,43 10.329,44 3.861,45 10.136,46 128,47 4.897,48 4.897,49 2.83,51 1.354,52 1.97,53 1.354,54 6.675,55 6.675,56 252.542,57 31.924,58 3.181,59 10.798,60 446.832,61 4137.91,62 74.896,63 2625,64 46,65 17.691,66 1.693,67 1.693,68 12.109,69 2.645,70 7.7}
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{0 CHEMBL2002726,2 4,3 1.111,4 105.416,5 4,6 2.012,7 6.214,8 3.339,9 57,10 1.696,11 8.18,12 14739,13 18.64,14 24084,15 2.838,16 5.404,17 5.404,18 1,19 5.492,20 3.794,21 15.279,22 124.382,23 18.64,24 13.187,25 81.725,26 3.299,27 4.792,28 1,29 1.5,30 3.448,31 1.181,32 44.903,33 16.75,34 1.623,35 175.176,36 1.275,37 1,38 1,39 3.905,40 15.222,41 708,42 11.767,43 15.922,44 5.917,45 26.617,46 321,47 5.447,48 5.447,49 3.254,50 3,51 1.878,52 2.357,53 1.878,54 7.41,55 7.41,56 360.498,57 45.31,58 3.615,59 18.622,60 1308.79,61 17472.8,62 136.221,63 9503,64 116,65 26.422,66 2.084,67 2.084,68 18.793,69 2.932,70 5.9}
{0 CHEMBL2002799,2 4,3 0.901,4 110.678,5 2,6 1.618,8 3.229,9 50.5,10 1.669,11 7.87,12 9503,13 16.355,14 15027,15 2.762,16 3.965,17 3.965,18 0.744,19 5.904,20 3.592,21 13.68,22 106.039,23 16.355,24 11.81,25 72.827,26 3.109,27 4.259,28 0.634,29 0.91,30 3.48,31 1.15,32 41.335,33 15.5,34 1.563,35 160.598,36 1.379,37 0.647,38 0.647,39 3.896,40 13.405,41 508,42 10.344,43 14.621,44 5.278,45 18.049,46 228,47 4.429,48 4.429,49 3.018,51 1.598,52 2.256,53 1.598,54 8.183,55 8.183,56 322.697,57 40.537,58 3.576,59 14.973,60 935.183,61 10915.9,62 113.597,63 6283,64 84,65 23.351,66 1.618,67 1.618,68 16.894,69 2.862,70 6}
{0 CHEMBL2002992,2 2,3 0.859,4 38.034,5 5,6 1.548,7 5.952,8 3.103,9 45,10 1.629,11 7.463,12 6588,13 14.82,14 9851,15 2.76,16 3.561,17 3.561,18 0.291,19 5.865,20 3.47,21 11.6,22 86.239,23 14.82,24 10.148,25 63.07,26 3.082,27 4.042,28 -0.173,29 -0.229,30 3.281,31 0.962,32 35.472,33 13.5,34 1.318,35 137.654,36 1,37 -0.18,38 -0.18,39 3.739,40 12.303,41 401,42 9.178,43 12.85,44 4.611,45 14.939,46 186,47 3.882,48 3.882,49 2.976,50 1,51 1.511,52 1.694,53 1.511,54 7.986,55 7.986,56 263.357,57 35.641,58 3.59,59 18.208,60 695.406,61 7410.69,62 95.155,63 4350,64 69,65 20.859,66 1.548,67 1.548,68 14.318,69 2.866,70 5.6}
{0 CHEMBL2003271,2 3,3 1,4 87.388,5 5,6 2.147,7 5.427,8 3.229,9 52,10 1.675,11 7.897,12 11838,13 19.284,14 25064,15 3.038,16 5.663,17 5.663,18 0.857,19 6.014,20 3.91,21 13.806,22 106.039,23 17.43,24 12.654,25 83.74,26 3.402,27 4.997,28 0.11,29 0.229,30 3.508,31 1,32 42.459,33 15,34 2.05,35 224.924,36 1.344,37 0.19,38 0.19,39 4.43,40 14.984,41 448,42 12.52,43 13.37,44 5.194,45 17.271,46 212,47 6.096,48 6.096,49 2.92,50 1,51 1.898,52 2.625,53 1.898,54 8.482,55 8.482,56 537.551,57 42.058,58 3.6,59 13.411,60 893.309,61 10210.3,62 111.842,63 5513,64 73,65 22.899,66 2.14,67 2.14,68 16.14,69 3.272,70 5.9}
{0 CHEMBL2003286,2 3,3 0.545,4 55.515,5 2,6 1.981,8 2.908,9 38.5,10 1.569,11 6.864,12 4792,13 12.767,14 9303,15 2.564,16 3.509,17 3.509,18 0.079,19 5.218,20 3.146,21 9.368,22 69.487,23 12.414,24 8.505,25 55.917,26 2.941,27 4.124,28 -0.775,29 -1.079,30 3.015,31 -0.342,32 30.238,33 10.75,34 1.525,35 130.456,36 0.809,37 -0.82,38 -0.82,39 3.644,40 9.706,41 252,42 8.103,43 9.949,44 3.806,45 10.201,46 123,47 3.838,48 3.838,49 2.629,51 1.265,52 1.676,53 1.265,54 6.508,55 6.508,56 344.625,57 28.243,58 3.18,59 8.526,60 407.317,61 3699.83,62 70.246,63 2278,64 46,65 17.037,66 1.531,67 1.531,68 11.594,69 2.648,70 5.9}
{0 CHEMBL2003341,2 5,3 1.03,4 109.734,5 4,6 2.124,8 3.304,9 55.667,10 1.688,11 8.082,12 14952,13 19.518,14 28370,15 2.903,16 4.77,17 4.77,18 1,19 5.95,20 3.7,21 14.47,22 108.211,23 18.518,24 13.14,25 83.921,26 3.488,27 4.554,28 0.978,29 1.384,30 3.582,31 1,32 42.764,33 16,34 1.716,35 178.392,36 1.129,37 1,38 1,39 4.191,40 15.206,41 610,42 11.948,43 15.244,44 5.833,45 24.544,46 288,47 4.963,48 4.963,49 2.973,51 1.879,52 2.481,53 1.879,54 8.363,55 8.363,56 457.304,57 42.594,58 3.662,59 14.456,60 1177.78,61 15032,62 128.549,63 7974,64 104,65 25.382,66 1.893,67 1.893,68 17.921,69 3.139,70 5.9}
{0 CHEMBL2003420,2 6,3 1.063,4 52.828,5 8,6 1.694,8 3.372,9 61,10 1.697,11 8.242,12 21364,13 19.866,14 35757,15 2.958,16 3.182,17 3.182,18 1.052,19 4.995,20 3.64,21 14.84,22 106.606,23 19.866,24 13.737,25 86.394,26 3.394,27 3.653,28 0.864,29 0.947,30 3.536,31 0.954,32 41.795,33 18,34 1.646,35 146.648,36 1.244,37 0.916,38 0.916,39 4.067,40 15.987,41 958,42 11.072,43 17.397,44 6.583,45 36.49,46 462,47 3.694,48 3.694,49 3.217,51 1.526,52 2.082,53 1.526,54 5.987,55 5.987,56 379.685,57 40.387,58 3.287,59 24.204,60 1588.31,61 25435.4,62 150.584,63 12886,64 168,65 28.72,66 1.824,67 1.824,68 19.545,69 3.162,70 5.9}
{0 CHEMBL2003456,2 3,3 -0.471,4 72.589,5 2,6 1.184,8 2.854,9 34.5,10 1.549,11 6.683,12 3529,13 10.958,14 6094,15 2.332,16 2.686,17 2.686,18 -0.806,19 4.821,20 3.297,21 9.159,22 60,23 10.958,24 7.826,25 48.807,26 2.687,27 3.507,28 -0.954,29 -1.318,30 2.755,31 -0.436,32 28.042,33 10.75,34 1,35 108.712,36 0.546,37 -1,38 -1,39 3.453,40 8.397,41 245,42 7.068,43 9.449,44 3.472,45 8.594,46 111,47 4.141,48 4.141,49 2.651,51 1.143,52 1.684,53 1.143,54 5.393,55 5.393,56 252.513,57 27.43,58 2.996,59 4.874,60 346.721,61 2907.23,62 63.653,63 2005,64 40,65 16.007,66 1.516,67 1.516,68 11.163,69 2.647,70 5.9}
{0 CHEMBL2003482,2 3,3 0.695,4 52.481,5 6,6 1.644,8 3.009,9 40.833,10 1.597,11 7.163,12 6044,13 13.742,14 10638,15 2.605,16 3.549,17 3.549,18 0.314,19 5.223,20 3.531,21 10.8,22 76.711,23 13.242,24 9.509,25 60.391,26 3.091,27 4.098,28 -0.375,29 -0.531,30 3.253,31 0.406,32 32.342,33 12,34 1.021,35 133.526,36 0.887,37 -0.451,38 -0.451,39 3.674,40 11.127,41 364,42 8.803,43 11.325,44 4.139,45 12.188,46 166,47 4.751,48 4.751,49 2.735,51 1.414,52 1.768,53 1.414,54 6.452,55 6.452,56 311.842,57 31.946,58 3.287,59 11.199,60 556.676,61 5551.5,62 83.313,63 3469,64 60,65 19.229,66 1.696,67 1.696,68 13.111,69 2.687,70 5.9}
{0 CHEMBL2003500,2 4,3 1,4 114.966,5 2,6 2.058,8 3.305,9 54,10 1.698,11 8.128,12 11112,13 18.148,14 17396,15 2.827,16 5.477,17 5.477,18 1,19 5.614,20 3.773,21 14.439,22 96.211,23 18.148,24 12.592,25 77.039,26 3.144,27 4.943,28 0.983,29 1.5,30 3.615,31 1,32 44.476,33 15.75,34 1.877,35 177.324,36 1,37 1,38 1,39 3.79,40 15.068,41 530,42 11.554,43 15.269,44 5.653,45 23.154,46 244,47 6.03,48 6.03,49 3.032,51 1.857,52 2.509,53 1.857,54 6.936,55 6.936,56 332.64,57 45.995,58 3.501,59 24.469,60 1093.99,61 13467.8,62 125.432,63 7294,64 83,65 24.777,66 2.161,67 2.161,68 17.731,69 2.889,70 6}
{0 CHEMBL2003514,2 1,3 1,4 87.245,5 1,6 1.717,8 3.266,9 54,10 1.675,11 7.955,12 12618,13 17.648,14 21697,15 2.687,16 3.994,17 3.994,18 1,19 5.925,20 3.681,21 13.765,22 108.096,23 17.648,24 12.169,25 76.523,26 3.086,27 4.287,28 0.876,29 1.187,30 3.369,31 0.983,32 40.926,33 16.25,34 1.619,35 156.978,36 1.125,37 0.882,38 0.882,39 3.962,40 14.009,41 616,42 10.464,43 14.874,44 5.667,45 23.984,46 289,47 4.785,48 4.785,49 2.956,51 1.533,52 2.066,53 1.533,54 8.285,55 8.285,56 383.713,57 40.766,58 3.646,59 15.171,60 1096.32,61 13714.9,62 122.669,63 7430,64 101,65 24.719,66 1.897,67 1.897,68 17.476,69 2.982,70 5.5}
{0 CHEMBL2003638,2 4,3 1.355,4 148.718,5 6,6 2.222,8 3.472,9 67.5,10 1.735,11 8.589,12 23425,13 20.338,14 43156,15 2.914,16 6.063,17 6.063,18 1.202,19 6.046,20 3.868,21 17.756,22 149.58,23 21.209,24 14.759,25 95.198,26 3.359,27 5.046,28 1.13,29 1.673,30 3.725,31 1.336,32 53.651,33 19.75,34 2.005,35 216.059,36 1.563,37 1.157,38 1.157,39 4.325,40 16.288,41 899,42 13.124,43 18.046,44 6.694,45 36.11,46 405,47 6.282,48 6.282,49 3.209,51 2.142,52 2.918,53 2.142,54 8.69,55 8.69,56 516.722,57 53.287,58 3.777,59 15.525,60 1788.41,61 26023.4,62 162.865,63 13576,64 141,65 29.491,66 2.252,67 2.252,68 21.583,69 3.169,70 6.7}
{0 CHEMBL2003689,2 8,3 1.638,4 140.795,5 5,6 2.832,8 3.616,9 78.5,10 1.777,11 9.048,12 31907,13 25.872,14 55974,15 3.276,16 6.314,17 6.314,18 1.618,19 6.493,20 3.749,21 19.622,22 175.362,23 25.872,24 17.13,25 107.352,26 3.524,27 5.202,28 1.259,29 1.777,30 3.561,31 1.618,32 62.167,33 22.25,34 2.732,35 240.763,36 1.844,37 1.266,38 1.266,39 4.761,40 20.317,41 1048,42 16.439,43 20.715,44 7.75,45 44.951,46 493,47 7.132,48 7.132,49 3.418,51 2.215,52 2.725,53 2.215,54 10.13,55 10.13,56 571.232,57 60.767,58 3.921,59 35.652,60 2460.93,61 39584,62 196.888,63 18558,64 166,65 33.044,66 2.492,67 2.492,68 23.856,69 3.378,70 5.5}
{0 CHEMBL2003817,2 2,3 1,4 53.024,5 4,6 1.801,8 3.228,9 56,10 1.667,11 7.854,12 12975,13 14.656,14 27091,15 2.676,16 4.458,17 4.458,18 0.58,19 5.515,20 3.589,21 13.809,22 105.284,23 17.156,24 10.22,25 73.642,26 3.116,27 4.528,28 0.037,29 0.048,30 3.346,31 0.915,32 39.357,33 16.5,34 1.519,35 166.047,36 1.043,37 0.04,38 0.04,39 4.328,40 12.003,41 517,42 9.114,43 13.638,44 5.139,45 21.375,46 244,47 5.163,48 5.163,49 2.918,51 1.648,52 2.376,53 1.648,54 7.458,55 7.458,56 513.307,57 39.253,58 3.556,59 9.252,60 962.087,61 11325.4,62 114.441,63 6195,64 86,65 23.5,66 1.872,67 1.872,68 16.308,69 2.875,70 5.9}
{0 CHEMBL2004025,2 1,3 1.398,4 126.689,5 1,6 2.358,8 3.409,9 66.5,10 1.731,11 8.469,12 17024,13 21.691,14 31463,15 2.89,16 5.534,17 5.534,18 1.308,19 6.215,20 3.721,21 15.38,22 126.881,23 21.441,24 14.728,25 99.38,26 3.312,27 5.049,28 0.468,29 0.566,30 3.328,31 1.204,32 46.78,33 18.5,34 2.099,35 220.666,36 1.462,37 0.523,38 0.523,39 4.55,40 17.369,41 542,42 13.852,43 17.281,44 6.681,45 27.988,46 273,47 6.248,48 6.248,49 3.11,51 1.914,52 2.519,53 1.914,54 9.128,55 9.128,56 560.889,57 46.078,58 3.744,59 45.321,60 1376.8,61 18377.4,62 144.521,63 8628,64 99,65 26.902,66 2.134,67 2.134,68 19.647,69 3.248,70 6.2}
{0 CHEMBL2004118,2 3,3 1.157,4 61.664,5 4,6 2.169,8 3.267,9 53.833,10 1.677,11 7.967,12 11723,13 17.725,14 19912,15 2.866,16 5.245,17 5.245,18 0.968,19 5.571,20 3.59,21 14.851,22 112.096,23 17.225,24 12.53,25 79.878,26 3.311,27 4.836,28 0.847,29 1,30 3.42,31 1.001,32 42.218,33 17.5,34 2.036,35 184.961,36 1.256,37 0.887,38 0.887,39 3.86,40 14.806,41 571,42 11.185,43 15.436,44 5.528,45 21.526,46 258,47 6.216,48 6.216,49 3.068,51 1.862,52 2.24,53 1.862,54 7.63,55 7.63,56 391.883,57 42.742,58 3.466,59 16.031,60 1055.83,61 12819.5,62 120.986,63 7213,64 95,65 24.357,66 2.084,67 2.084,68 17.935,69 3.125,70 5.5}
{0 CHEMBL2004159,2 1,3 1,4 87.245,5 1,6 1.715,8 3.227,9 52,10 1.662,11 7.827,12 11880,13 16.778,14 20812,15 2.687,16 3.643,17 3.643,18 1,19 5.584,20 3.68,21 13.272,22 102.039,23 16.778,24 11.758,25 74.105,26 3.072,27 4.117,28 0.448,29 0.564,30 3.306,31 0.983,32 39.267,33 15.75,34 1.432,35 148.812,36 1.048,37 0.47,38 0.47,39 3.962,40 13.139,41 595,42 9.934,43 14.35,44 5.472,45 23.389,46 278,47 4.748,48 4.748,49 2.952,51 1.478,52 2.04,53 1.478,54 7.676,55 7.676,56 377.192,57 38.665,58 3.626,59 11.555,60 1011.26,61 12461.2,62 116.83,63 6899,64 98,65 24.034,66 1.896,67 1.896,68 16.97,69 2.881,70 5.5}
{0 CHEMBL2004290,1 1,2 9,3 1.885,4 169.708,5 8,6 2.627,7 6.33,8 3.668,9 82,10 1.783,11 9.159,12 40245,13 27.217,14 70526,15 3.386,16 7.111,17 7.111,18 1.431,19 6.342,20 3.882,21 21.679,22 189.421,23 26.863,24 18.651,25 118.541,26 3.509,27 5.405,28 1.324,29 1.923,30 3.795,31 1.793,32 64.778,33 24.5,34 2.41,35 281.184,36 2.242,37 1.37,38 1.37,39 4.563,40 22.043,41 1378,42 18.082,43 22.033,44 8.125,45 56.817,46 635,47 7.636,48 7.636,49 3.463,50 3,51 2.415,52 3.049,53 2.415,54 9.634,55 9.634,56 595.605,57 65.111,58 3.84,59 30.912,60 2934.72,61 50960.5,62 214.88,63 24085,64 211,65 35.115,66 2.596,67 2.596,68 25.947,69 3.413,70 7.8}
{0 CHEMBL2004311,2 7,3 1.716,4 122.079,5 12,6 2.283,8 3.408,9 61.5,10 1.715,11 8.389,12 17463,13 20.543,14 28884,15 2.987,16 5.772,17 5.772,18 1.275,19 5.721,20 3.79,21 15.983,22 134.881,23 20.543,24 13.902,25 85.837,26 3.273,27 4.981,28 1.145,29 1.633,30 3.411,31 1.528,32 50.338,33 18,34 2.147,35 193.15,36 1.801,37 1.157,38 1.157,39 4.047,40 16.72,41 751,42 13.157,43 16.744,44 6.222,45 28.785,46 345,47 6.355,48 6.355,49 3.165,51 1.938,52 2.55,53 1.938,54 8.099,55 8.099,56 411.941,57 50.418,58 3.778,59 20.001,60 1516.83,61 21015.1,62 148.87,63 10974,64 129,65 27.795,66 2.193,67 2.193,68 19.385,69 3.067,70 5.9}
{0 CHEMBL2004419,2 4,3 1.442,4 135.965,5 2,6 2.326,7 6.082,8 3.442,9 65.5,10 1.736,11 8.554,12 17693,13 19.604,14 31960,15 2.911,16 6.042,17 6.042,18 1.326,19 5.998,20 3.847,21 17.974,22 139.207,23 20.991,24 14.068,25 94.966,26 3.399,27 5.046,28 1,29 1.5,30 3.562,31 1.318,32 53.622,33 20.25,34 2.148,35 245.862,36 1.486,37 1.097,38 1.097,39 4.226,40 17.25,41 660,42 13.317,43 17.197,44 6.333,45 25.102,46 300,47 7.393,48 7.393,49 3.271,50 4,51 2.174,52 2.89,53 2.174,54 8.453,55 8.453,56 524.564,57 54.93,58 3.604,59 25.763,60 1483.97,61 19562.6,62 150.196,63 10145,64 105,65 27.506,66 2.31,67 2.31,68 20.759,69 3.202,70 5.9}
{0 CHEMBL2004438,2 7,3 1.322,4 149.762,5 9,6 2.408,7 6.236,8 3.471,9 70,10 1.73,11 8.569,12 26440,13 19.51,14 52644,15 2.977,16 5.663,17 5.663,18 1.189,19 6.078,20 3.805,21 17.656,22 144.825,23 22.01,24 13.597,25 93.693,26 3.337,27 5.056,28 1.078,29 1.6,30 3.462,31 1.382,32 51.968,33 20.25,34 1.948,35 214.88,36 1.601,37 1.111,38 1.111,39 4.749,40 15.942,41 900,42 12.304,43 17.648,44 6.611,45 33.101,46 416,47 7.023,48 7.023,49 3.137,50 2,51 2.004,52 2.713,53 2.004,54 8.751,55 8.751,56 586.047,57 52.297,58 3.709,59 13.975,60 1814.98,61 27113,62 164.333,63 13776,64 153,65 29.673,66 2.388,67 2.388,68 20.973,69 3.225,70 6.3}
{0 CHEMBL2004447,2 2,3 1.193,4 85.57,5 4,6 2.569,7 5.859,8 3.191,9 50.5,10 1.672,11 7.82,12 7621,13 15.905,14 12807,15 2.798,16 4.11,17 4.11,18 0.577,19 6.076,20 3.575,21 12.733,22 99.287,23 16.776,24 10.431,25 68.282,26 2.912,27 4.578,28 -0.108,29 -0.161,30 3.325,31 0.996,32 42.025,33 14.25,34 1.722,35 166.945,36 1.317,37 -0.122,38 -0.122,39 4.099,40 13.145,41 312,42 10.148,43 13.196,44 4.944,45 13.69,46 150,47 5.939,48 5.939,49 2.822,50 1,51 1.414,52 2.017,53 1.414,54 8.637,55 8.637,56 380.98,57 41.105,58 3.63,59 23.471,60 714.561,61 7929.43,62 102.611,63 4308,64 58,65 21.363,66 1.96,67 1.96,68 15.234,69 2.884,70 5.9}
{0 CHEMBL2004637,2 11,3 1.618,4 136.54,5 9,6 2.413,7 5.683,8 3.642,9 79,10 1.786,11 9.146,12 29779,13 26.579,14 46960,15 3.245,16 6.582,17 6.582,18 1.481,19 6.51,20 3.789,21 20.152,22 185.995,23 26.579,24 17.706,25 110.082,26 3.492,27 5.296,28 1.275,29 1.81,30 3.556,31 1.618,32 62.239,33 23.25,34 2.245,35 245.309,36 1.801,37 1.302,38 1.302,39 4.354,40 21.785,41 1017,42 16.437,43 21.918,44 8.167,45 41.92,46 480,47 7.11,48 7.11,49 3.41,50 2,51 2.229,52 2.874,53 2.229,54 10.209,55 10.209,56 505.959,57 62.455,58 4.008,59 44.748,60 2550.31,61 41459.9,62 202.805,63 19189,64 168,65 33.497,66 2.423,67 2.423,68 24.977,69 3.366,70 6.1}
{0 CHEMBL2004716,1 2,2 10,3 1.816,4 149.239,5 11,6 2.702,7 6.286,8 3.692,9 83,10 1.79,11 9.234,12 42149,13 28.131,14 68020,15 3.38,16 6.655,17 6.655,18 1.559,19 5.63,20 3.806,21 21.392,22 194.131,23 27.777,24 19.326,25 121.552,26 3.548,27 5.275,28 1.18,29 1.731,30 3.678,31 1.741,32 63.231,33 24.5,34 2.427,35 264.222,36 2.136,37 1.218,38 1.218,39 4.349,40 23.27,41 1427,42 17.113,43 23.348,44 8.806,45 66.447,46 678,47 6.783,48 6.783,49 3.464,50 3,51 2.331,52 2.871,53 2.331,54 7.806,55 7.806,56 554.365,57 64.128,58 3.663,59 35.675,60 3170.5,61 58247.5,62 224.351,63 26571,64 231,65 36.223,66 2.455,67 2.455,68 26.959,69 3.424,70 5.9}
{0 CHEMBL2004771,2 5,3 1.327,4 129.279,5 6,6 1.962,8 3.304,9 55.5,10 1.684,11 8.063,12 14026,13 17.51,14 25115,15 2.776,16 5.132,17 5.132,18 1.086,19 6.044,20 3.757,21 15.082,22 118.211,23 17.51,24 12.776,25 79.32,26 3.255,27 4.839,28 1,29 1.5,30 3.331,31 1.345,32 46.634,33 17.25,34 1.728,35 188.363,36 1.41,37 1,38 1,39 3.965,40 13.822,41 657,42 11.636,43 15.46,44 5.556,45 22.769,46 287,47 5.776,48 5.776,49 3.151,51 1.705,52 2.368,53 1.705,54 8.583,55 8.583,56 399.093,57 46.372,58 3.696,59 11.521,60 1173.81,61 14843.8,62 128.323,63 8543,64 109,65 25.344,66 1.984,67 1.984,68 18.249,69 2.942,70 5.9}
{0 CHEMBL2004871,3 0.817,4 75.106,6 1.513,8 3.148,9 48,10 1.653,11 7.646,12 7978,13 14.493,14 14086,15 2.687,16 3.175,17 3.175,18 0.593,19 5.243,20 3.635,21 12.395,22 90.107,23 15.364,24 10.398,25 67.854,26 2.881,27 3.88,28 0.246,29 0.296,30 3.342,31 0.983,32 35.851,33 14.25,34 1.371,35 141.596,36 1,37 0.273,38 0.273,39 3.765,40 11.984,41 387,42 8.517,43 13.244,44 5.028,45 17.76,46 183,47 4.013,48 4.013,49 2.758,51 1.414,52 1.868,53 1.414,54 6.394,55 6.394,56 343.338,57 36.508,58 3.24,59 19.789,60 730.903,61 7937,62 99.497,63 4467,64 62,65 21.345,66 1.603,67 1.603,68 15.598,69 2.687,70 5.9}
{0 CHEMBL2004872,2 2,3 1,4 115.674,5 3,6 1.717,8 3.266,9 53.5,10 1.675,11 7.955,12 12450,13 17.648,14 21171,15 2.687,16 3.994,17 3.994,18 1,19 5.925,20 3.673,21 13.689,22 110.096,23 17.648,24 12.169,25 76.069,26 3.098,27 4.287,28 0.88,29 1.187,30 3.383,31 1,32 40.926,33 15.75,34 1.619,35 154.813,36 1.125,37 0.882,38 0.882,39 3.918,40 14.139,41 616,42 10.464,43 14.874,44 5.667,45 23.984,46 289,47 4.785,48 4.785,49 2.982,51 1.533,52 2.066,53 1.533,54 8.285,55 8.285,56 366.535,57 40.766,58 3.644,59 16.696,60 1096.32,61 13714.9,62 122.669,63 7430,64 101,65 24.719,66 1.897,67 1.897,68 17.432,69 2.988,70 5.9}
{0 CHEMBL2004892,2 4,3 0.684,4 122.594,5 4,6 1.536,7 5.798,8 3.103,9 46,10 1.627,11 7.45,12 8137,13 15.285,14 15055,15 2.64,16 4.268,17 4.268,18 0.07,19 6.088,20 3.788,21 11.716,22 86.239,23 15.035,24 10.848,25 71.375,26 2.916,27 4.4,28 -0.415,29 -0.55,30 3.278,31 0.659,32 36.396,33 13,34 1.21,35 179.659,36 0.786,37 -0.432,38 -0.432,39 3.832,40 12.107,41 398,42 11.48,43 11.399,44 4.375,45 16.726,46 186,47 5.416,48 5.416,49 2.868,50 2,51 1.498,52 2.192,53 1.498,54 8.846,55 8.846,56 366.172,57 35.703,58 3.737,59 12.224,60 698.57,61 7450.5,62 95.269,63 4355,64 70,65 20.863,66 1.883,67 1.883,68 13.823,69 2.687,70 5.9}
{0 CHEMBL2004934,2 2,3 1.099,4 127.981,5 2,6 1.907,8 3.304,9 56.5,10 1.688,11 8.078,12 13742,13 17.648,14 23862,15 2.801,16 4.067,17 4.067,18 1,19 5.935,20 3.693,21 14.17,22 118.211,23 18.518,24 12.169,25 78.945,26 3.111,27 4.338,28 0.887,29 1.188,30 3.397,31 1.053,32 42.754,33 16,34 1.646,35 164.474,36 1.15,37 0.884,38 0.884,39 4.109,40 14.57,41 637,42 10.464,43 15.321,44 5.861,45 24.533,46 300,47 5.782,48 5.782,49 2.982,51 1.537,52 2.114,53 1.537,54 8.326,55 8.326,56 411.274,57 42.736,58 3.652,59 18.147,60 1184.61,61 15065.8,62 128.602,63 7989,64 105,65 25.397,66 2.087,67 2.087,68 17.917,69 2.993,70 5.9}
{0 CHEMBL2005186,2 5,3 1.534,4 129.747,5 3,6 2.447,8 3.561,9 73,10 1.762,11 8.879,12 26798,13 23.493,14 45886,15 3.213,16 6.422,17 6.422,18 1.431,19 6.108,20 3.818,21 19.484,22 170.974,23 23.493,24 16.547,25 103.354,26 3.398,27 5.158,28 1.316,29 1.936,30 3.608,31 1.507,32 58.097,33 22.25,34 2.24,35 230.388,36 1.691,37 1.347,38 1.347,39 4.307,40 18.871,41 980,42 15.171,43 19.976,44 7.361,45 40.298,46 446,47 6.932,48 6.932,49 3.28,51 2.28,52 2.851,53 2.28,54 8.953,55 8.953,56 508.397,57 57.633,58 3.75,59 27.075,60 2162.02,61 33286.3,62 182.674,63 16500,64 154,65 31.553,66 2.342,67 2.342,68 23.579,69 3.283,70 5.9}
{0 CHEMBL2005375,3 1.809,4 76.512,5 3,6 2.543,8 3.642,9 80,10 1.781,11 9.117,12 29623,13 25.941,14 45464,15 3.178,16 6.896,17 6.896,18 1.647,19 6.218,20 3.721,21 20.906,22 184.75,23 25.941,24 17.995,25 113.039,26 3.506,27 5.336,28 1.202,29 1.596,30 3.664,31 1.503,32 63.274,33 25,34 2.461,35 260.685,36 1.941,37 1.222,38 1.222,39 4.286,40 22.126,41 1098,42 15.873,43 23.781,44 8.25,45 42.97,46 502,47 8.235,48 8.235,49 3.429,51 2.361,52 2.698,53 2.361,54 9.008,55 9.008,56 504.215,57 64.046,58 3.673,59 44.465,60 2602.16,61 42145.8,62 203.531,63 20206,64 181,65 33.68,66 2.54,67 2.54,68 25.926,69 3.316,70 5.9}
{0 CHEMBL2005449,2 1,3 0.765,4 74.919,5 6,6 1.827,8 3.146,9 47.333,10 1.643,11 7.6,12 9004,13 15.864,14 15634,15 2.687,16 4.573,17 4.573,18 0.219,19 5.339,20 3.822,21 12.746,22 94.107,23 15.364,24 10.975,25 69.883,26 3.115,27 4.496,28 -0.078,29 -0.103,30 3.356,31 0.717,32 35.154,33 14.75,34 1.582,35 147.027,36 0.829,37 -0.084,38 -0.084,39 3.712,40 12.724,41 473,42 10.054,43 12.749,44 4.833,45 19,46 220,47 5.314,48 5.314,49 2.918,51 1.631,52 2.163,53 1.631,54 6.966,55 6.966,56 359.734,57 35.502,58 3.488,59 14.847,60 797.391,61 9036.37,62 102.586,63 5200,64 78,65 22.044,66 1.957,67 1.957,68 15.376,69 2.871,70 6.1}
{0 CHEMBL2005475,2 2,3 1.001,4 71.436,5 5,6 1.605,8 3.228,9 50.5,10 1.665,11 7.842,12 10012,13 16.709,14 15420,15 2.866,16 3.824,17 3.824,18 1,19 5.636,20 3.747,21 13.813,22 102.039,23 16.355,24 12.218,25 76.88,26 3.228,27 4.193,28 0.906,29 1,30 3.453,31 1,32 41.52,33 14.75,34 1.577,35 183.567,36 1.061,37 0.962,38 0.962,39 3.674,40 14.364,41 572,42 10.996,43 14.927,44 5.278,45 22.382,46 258,47 4.599,48 4.599,49 3.092,51 1.545,52 2.04,53 1.545,54 7.328,55 7.328,56 331.955,57 41.015,58 3.502,59 19.19,60 978.895,61 11629.6,62 115.093,63 6679,64 90,65 23.708,66 1.722,67 1.722,68 16.971,69 2.941,70 6}
{0 CHEMBL2005478,2 2,3 0.789,4 84.761,5 1,6 1.779,8 3.148,9 46.75,10 1.648,11 7.628,12 8138,13 16.267,14 14687,15 2.828,16 4.978,17 4.978,18 0.606,19 5.821,20 3.937,21 13.299,22 98.107,23 15.267,24 11.23,25 75.33,26 3.151,27 4.861,28 0.388,29 0.51,30 3.429,31 0.748,32 39.111,33 15.25,34 1.53,35 192.105,36 1.02,37 0.448,38 0.448,39 3.755,40 13.678,41 413,42 10.778,43 12.715,44 4.722,45 15.479,46 187,47 5.847,48 5.847,49 2.903,51 1.638,52 2.322,53 1.638,54 7.801,55 7.801,56 383.296,57 40.112,58 3.379,59 16.988,60 733.361,61 7742.32,62 99.114,63 4581,64 65,65 21.196,66 2.063,67 2.063,68 15.618,69 2.929,70 6.2}
{0 CHEMBL2005528,2 2,3 0.369,4 54.17,5 2,6 1.789,8 3.012,9 42,10 1.605,11 7.195,12 5273,13 13.405,14 8994,15 2.636,16 3.532,17 3.532,18 0.221,19 5.819,20 3.395,21 10.636,22 80.711,23 13.405,24 9.203,25 58.142,26 3.008,27 4.158,28 -0.512,29 -0.6,30 3.141,31 0.496,32 33.892,33 12.5,34 1.559,35 134.223,36 0.983,37 -0.535,38 -0.535,39 3.719,40 10.578,41 316,42 8.235,43 11.625,44 4.222,45 12.964,46 147,47 4.102,48 4.102,49 2.864,51 1.388,52 1.718,53 1.388,54 7.75,55 7.75,56 312.414,57 33.33,58 3.4,59 9.121,60 520.707,61 4928.69,62 80.876,63 3004,64 52,65 18.597,66 1.591,67 1.591,68 13.221,69 2.848,70 5.9}
{0 CHEMBL2005699,2 10,3 1.618,4 140.795,5 5,6 2.801,8 3.589,9 76.5,10 1.771,11 8.973,12 29365,13 25.165,14 52093,15 3.272,16 6.332,17 6.332,18 1.504,19 6.493,20 3.749,21 19.111,22 168.77,23 25.165,24 16.63,25 104.352,26 3.467,27 5.208,28 1.259,29 1.777,30 3.561,31 1.618,32 60.961,33 21.75,34 2.728,35 237.316,36 1.844,37 1.265,38 1.265,39 4.753,40 19.61,41 963,42 16.086,43 20.008,44 7.5,45 40.682,46 452,47 7.15,48 7.15,49 3.369,51 2.187,52 2.745,53 2.187,54 10.13,55 10.13,56 567.428,57 59.402,58 3.921,59 33.123,60 2276.93,61 35586.3,62 189.019,63 16875,64 155,65 32.148,66 2.505,67 2.505,68 23.131,69 3.366,70 5.5}
{0 CHEMBL2005792,3 1.199,4 87.19,5 1,6 2.349,8 3.473,9 68.5,10 1.744,11 8.641,12 19579,13 21.14,14 34231,15 2.966,16 6.012,17 6.012,18 1.173,19 6.258,20 3.775,21 17.648,22 147.58,23 22.01,24 14.52,25 94.89,26 3.269,27 5.049,28 1,29 1.5,30 3.611,31 1.217,32 52.629,33 21.25,34 2.033,35 218.799,36 1.411,37 1,38 1,39 4.304,40 17.503,41 713,42 13.151,43 18.371,44 6.833,45 31.27,46 335,47 6.974,48 6.974,49 3.122,51 2.138,52 2.833,53 2.138,54 9.292,55 9.292,56 509.687,57 53.362,58 3.698,59 29.58,60 1647.61,61 22829.4,62 158.562,63 11264,64 113,65 28.592,66 2.367,67 2.367,68 21.532,69 3.065,70 5.5}
{0 CHEMBL2005828,1 1,2 8,3 1,4 144.694,5 7,6 2.24,7 5.941,8 3.339,9 58.5,10 1.694,11 8.167,12 16109,13 18.803,14 28508,15 2.884,16 5.677,17 5.677,18 1,19 5.577,20 3.779,21 15.206,22 120.382,23 18.803,24 13.097,25 82.083,26 3.223,27 4.959,28 1,29 1.5,30 3.394,31 1.026,32 45.967,33 18,34 2.058,35 182.808,36 1.088,37 1,38 1,39 4.058,40 14.562,41 739,42 11.97,43 15.515,44 5.861,45 26.623,46 336,47 5.879,48 5.879,49 3.068,50 2,51 1.992,52 2.797,53 1.992,54 7.625,55 7.625,56 425.987,57 46.359,58 3.593,59 14.456,60 1316.74,61 17509.3,62 136.301,63 9501,64 120,65 26.416,66 2.146,67 2.146,68 18.56,69 2.967,70 6.8}
{0 CHEMBL2005886,2 5,3 1.689,4 91.692,5 6,6 2.668,8 3.561,9 73.833,10 1.761,11 8.877,12 27261,13 24.156,14 48569,15 3.175,16 5.94,17 5.94,18 1.542,19 6.074,20 3.799,21 19.837,22 168.974,23 23.656,24 16.78,25 106.577,26 3.468,27 5.056,28 1.149,29 1.685,30 3.629,31 1.611,32 59.224,33 23,34 2.314,35 246.921,36 1.888,37 1.231,38 1.231,39 4.312,40 19.524,41 969,42 15.503,43 20.683,44 7.361,45 38.308,46 441,47 6.346,48 6.346,49 3.267,51 2.115,52 2.729,53 2.115,54 8.798,55 8.798,56 539.493,57 59.119,58 3.799,59 33.691,60 2147.57,61 32615.5,62 182.048,63 16234,64 151,65 31.454,66 2.244,67 2.244,68 23.721,69 3.274,70 8.5}
{0 CHEMBL2005899,2 3,3 1,4 34.304,6 2.158,8 3.189,9 50.5,10 1.667,11 7.791,12 7987,13 17.361,14 12477,15 2.687,16 4,17 4,18 0.423,19 6.346,20 3.617,21 12.081,22 95.287,23 17.361,24 10.642,25 66.991,26 3,27 4.701,28 -0.271,29 -0.351,30 3.374,31 0.983,32 39.392,33 14.5,34 1.691,35 155.888,36 1.05,37 -0.291,38 -0.291,39 3.975,40 13.992,41 364,42 10.682,43 12.908,44 4.944,45 16.284,46 182,47 5.202,48 5.202,49 3.029,51 1.465,52 2.016,53 1.465,54 9.419,55 9.419,56 362.133,57 39.494,58 3.762,59 20.946,60 791.186,61 8912.34,62 105.358,63 4646,64 67,65 21.966,66 1.746,67 1.746,68 14.543,69 2.702,70 5.9}
{0 CHEMBL2005936,2 2,3 1.354,4 142.782,5 6,6 2.166,8 3.532,9 70,10 1.758,11 8.814,12 22524,13 22.623,14 37412,15 3.049,16 5.957,17 5.957,18 1.351,19 5.854,20 3.801,21 18.608,22 158.465,23 22.623,24 16.225,25 100.725,26 3.555,27 5.074,28 1.136,29 1.654,30 3.649,31 1.412,32 56.055,33 20.5,34 1.993,35 224.483,36 1.442,37 1.166,38 1.166,39 4.107,40 18.324,41 879,42 14.181,43 19.725,44 7.333,45 35.796,46 401,47 6.62,48 6.62,49 3.484,51 2.109,52 2.876,53 2.109,54 8.075,55 8.075,56 470.691,57 56.562,58 3.549,59 29.587,60 1945.56,61 28469.8,62 173.368,63 14205,64 134,65 30.373,66 2.333,67 2.333,68 23.195,69 3.276,70 5.9}
{0 CHEMBL2006188,1 1,2 4,3 1.151,4 121.616,5 5,6 1.885,7 5.629,8 3.44,9 64,10 1.733,11 8.53,12 17872,13 21.347,14 28630,15 3,16 4.417,17 4.417,18 1.125,19 6.046,20 3.708,21 16.173,22 143.207,23 21.347,24 14.618,25 91.115,26 3.381,27 4.427,28 0.983,29 1.5,30 3.469,31 1.226,32 47.693,33 18.5,34 1.727,35 180.313,36 1.452,37 1,38 1,39 4.118,40 17.391,41 731,42 12.282,43 18.365,44 6.944,45 32.667,46 349,47 5.782,48 5.782,49 3.31,51 1.815,52 2.385,53 1.815,54 8.697,55 8.697,56 395.839,57 48.057,58 3.703,59 34.496,60 1599.73,61 22723.5,62 154.704,63 11190,64 122,65 28.44,66 2.026,67 2.026,68 20.939,69 3.098,70 5.9}
{0 CHEMBL2006237,2 2,3 1.274,4 77.616,5 4,6 2.376,7 5.456,8 3.407,9 62.5,10 1.714,11 8.377,12 18077,13 20.217,14 28677,15 3.027,16 5.695,17 5.695,18 1.146,19 5.561,20 3.727,21 16.554,22 136.881,23 20.217,24 14.097,25 88.438,26 3.362,27 4.889,28 0.965,29 1.425,30 3.438,31 1.327,32 48.275,33 20,34 1.8,35 192.955,36 1.474,37 1,38 1,39 4.133,40 16.688,41 843,42 12.697,43 17.789,44 6.361,45 32.961,46 387,47 6.535,48 6.535,49 3.235,50 1,51 2.104,52 2.265,53 2.104,54 7.195,55 7.195,56 396.279,57 48.799,58 3.54,59 23.321,60 1571.25,61 22424.4,62 150.728,63 11712,64 135,65 28.186,66 2.169,67 2.169,68 20.163,69 3.166,70 5.9}
{0 CHEMBL2006263,3 0.54,4 106.295,5 2,6 1.819,7 5.581,8 3.188,9 50,10 1.656,11 7.732,12 9422,13 16.863,14 16225,15 2.74,16 4.888,17 4.888,18 0.321,19 5.724,20 3.717,21 12.859,22 98.042,23 16.613,24 11.669,25 75.786,26 2.952,27 4.659,28 -0.163,29 -0.213,30 3.463,31 1,32 38.999,33 14.5,34 1.625,35 201.28,36 1,37 -0.173,38 -0.173,39 4.149,40 13.554,41 488,42 12.075,43 12.467,44 4.847,45 17.467,46 229,47 6.142,48 6.142,49 2.925,51 1.719,52 2.5,53 1.719,54 7.541,55 7.541,56 393.144,57 39.383,58 3.494,59 15.7,60 859.408,61 9634.06,62 107.332,63 5384,64 79,65 22.478,66 2.075,67 2.075,68 15.163,69 2.819,70 5.9}
{0 CHEMBL2006276,3 1.228,4 113.61,5 6,6 2.128,8 3.268,9 54,10 1.683,11 7.995,12 11180,13 17.225,14 19649,15 2.826,16 5.313,17 5.313,18 1,19 5.587,20 3.72,21 14.314,22 112.096,23 17.225,24 12.242,25 76.867,26 3.063,27 4.857,28 0.604,29 0.768,30 3.299,31 1.142,32 42.758,33 16.75,34 1.626,35 172.06,36 1.35,37 0.683,38 0.683,39 3.91,40 13.537,41 521,42 10.815,43 14.998,44 5.528,45 20.848,46 237,47 5.988,48 5.988,49 2.972,51 1.847,52 2.353,53 1.847,54 7.679,55 7.679,56 387.224,57 42.677,58 3.571,59 14.843,60 1008.34,61 11833,62 118.845,63 6602,64 84,65 23.932,66 2.03,67 2.03,68 17.7,69 2.949,70 5.9}
{0 CHEMBL2006299,2 2,3 1,4 128.336,5 3,6 1.715,8 3.227,9 51,10 1.662,11 7.827,12 11412,13 16.778,14 19284,15 2.687,16 3.643,17 3.643,18 1,19 5.584,20 3.687,21 13.09,22 102.039,23 16.778,24 11.758,25 73.197,26 3.077,27 4.117,28 0.45,29 0.564,30 3.327,31 1,32 39.267,33 14.75,34 1.432,35 144.815,36 1.048,37 0.47,38 0.47,39 3.782,40 13.399,41 595,42 9.934,43 14.35,44 5.472,45 23.389,46 278,47 4.748,48 4.748,49 2.971,51 1.478,52 2.04,53 1.478,54 7.676,55 7.676,56 342.7,57 38.665,58 3.628,59 12.191,60 1011.26,61 12461.2,62 116.83,63 6899,64 98,65 24.034,66 1.896,67 1.896,68 16.86,69 2.887,70 5.5}
{0 CHEMBL2006439,2 1,3 1,4 46.306,5 6,6 1.547,8 3.189,9 48.833,10 1.659,11 7.75,12 8708,13 16.148,14 14170,15 2.866,16 4.234,17 4.234,18 0.495,19 5.528,20 3.711,21 13.707,22 100.042,23 15.648,24 11.582,25 73.065,26 3.229,27 4.502,28 0.457,29 0.721,30 3.352,31 1,32 39.02,33 15.75,34 1.501,35 165.584,36 1.035,37 0.488,38 0.488,39 3.766,40 13.475,41 473,42 10.536,43 14.104,44 5,45 17.361,46 212,47 5.198,48 5.198,49 3.018,51 1.547,52 2.314,53 1.547,54 7.367,55 7.367,56 346.982,57 39.279,58 3.448,59 20.14,60 839.316,61 9385.84,62 106.676,63 5496,64 75,65 22.408,66 1.902,67 1.902,68 16.397,69 2.983,70 6.8}
{0 CHEMBL2006450,2 2,3 0.741,4 66.001,5 7,6 1.565,8 3.188,9 49.333,10 1.659,11 7.744,12 9206,13 16.734,14 15438,15 2.81,16 4.229,17 4.229,18 0.498,19 5.449,20 3.608,21 12.978,22 104.042,23 16.234,24 11.458,25 72.492,26 3.276,27 4.5,28 0.241,29 0.254,30 3.374,31 0.988,32 37.816,33 15,34 1.547,35 155.913,36 1.039,37 0.245,38 0.245,39 3.944,40 13.522,41 486,42 10.279,43 13.665,44 5.167,45 19.085,46 228,47 4.979,48 4.979,49 3.149,51 1.547,52 2.319,53 1.547,54 7.071,55 7.071,56 371.439,57 38.091,58 3.377,59 17.105,60 858.609,61 9703.3,62 107.374,63 5372,64 77,65 22.513,66 1.846,67 1.846,68 16.024,69 3.128,70 5.5}
{0 CHEMBL2006564,2 2,3 1,4 52.595,6 2.117,8 3.304,9 56.5,10 1.689,11 8.085,12 12930,13 18.096,14 21365,15 2.893,16 6.006,17 6.006,18 0.894,19 5.573,20 3.722,21 15.031,22 116.211,23 18.096,24 12.635,25 79.468,26 3.267,27 5.084,28 0.748,29 1.103,30 3.519,31 1.01,32 43.988,33 18.5,34 2.045,35 182.76,36 1.143,37 0.818,38 0.818,39 3.974,40 14.783,41 598,42 11.464,43 15.754,44 5.694,45 24.568,46 273,47 6.121,48 6.121,49 3.12,51 1.985,52 2.512,53 1.985,54 7.642,55 7.642,56 387.039,57 44.829,58 3.617,59 15.735,60 1160.81,61 14755,62 128.049,63 8075,64 103,65 25.237,66 2.133,67 2.133,68 18.233,69 3.104,70 6}
{0 CHEMBL2006674,2 2,3 1.342,4 40.252,5 3,6 2.158,8 3.409,9 63,10 1.727,11 8.449,12 15370,13 20.217,14 24769,15 3.062,16 5.318,17 5.318,18 1.304,19 5.728,20 3.74,21 16.457,22 140.881,23 20.217,24 14.19,25 89.514,26 3.278,27 4.758,28 0.933,29 1.132,30 3.412,31 1.202,32 48.032,33 19.5,34 1.709,35 198.477,36 1.359,37 1,38 1,39 4.121,40 16.79,41 630,42 12.277,43 18.122,44 6.556,45 27.608,46 293,47 6.268,48 6.268,49 3.282,51 1.964,52 2.457,53 1.964,54 7.707,55 7.707,56 402.599,57 49.168,58 3.629,59 38.121,60 1412.83,61 18942,62 145.562,63 9716,64 107,65 27.167,66 2.081,67 2.081,68 20.527,69 3.192,70 5.5}
{0 CHEMBL2006715,2 1,3 2.257,4 175.461,5 5,6 2.707,8 3.81,9 96.5,10 1.824,11 9.625,12 59235,13 28.821,14 113709,15 3.341,16 7.454,17 7.454,18 2.031,19 6.465,20 3.913,21 26.043,22 234.215,23 30.208,24 21.073,25 139.234,26 3.763,27 5.558,28 1.678,29 2.405,30 3.832,31 1.85,32 78.361,33 30,34 2.666,35 340.497,36 2.405,37 1.797,38 1.797,39 4.725,40 23.815,41 1509,42 19.212,43 26.044,44 9.444,45 60.645,46 676,47 8.159,48 8.159,49 3.625,51 2.451,52 3.142,53 2.451,54 10.009,55 10.009,56 785.56,57 78.093,58 3.983,59 33.69,60 3885.7,61 72120.8,62 255.632,63 33575,64 236,65 38.795,66 2.677,67 2.677,68 30.936,69 3.614,70 5.9}
{0 CHEMBL2006765,2 1,3 1.089,4 71.977,5 4,6 2.218,8 3.374,9 64.5,10 1.709,11 8.294,12 18707,13 17.648,14 35067,15 2.941,16 5.978,17 5.978,18 1,19 6.03,20 3.587,21 15.891,22 125.851,23 20.148,24 12.207,25 85.535,26 3.315,27 5.018,28 0.858,29 1.203,30 3.501,31 1.07,32 45.247,33 19,34 1.822,35 187.004,36 1.224,37 0.938,38 0.938,39 4.479,40 15.022,41 729,42 10.377,43 16.527,44 6.125,45 31.061,46 349,47 6.313,48 6.313,49 3.159,51 2.036,52 2.778,53 2.036,54 8.597,55 8.597,56 531.381,57 45.342,58 3.825,59 21.662,60 1419.71,61 19325.8,62 142.55,63 9747,64 119,65 27.07,66 2.105,67 2.105,68 19.079,69 3.144,70 6}
{0 CHEMBL2006785,2 3,3 1,4 98.97,5 4,6 2.198,8 3.189,9 48.667,10 1.662,11 7.765,12 9840,13 17.914,14 18788,15 2.851,16 5.244,17 5.244,18 0.857,19 5.914,20 3.873,21 13.065,22 100.042,23 16.56,24 11.993,25 77.816,26 3.328,27 4.904,28 0.088,29 0.191,30 3.417,31 0.884,32 42.269,33 14,34 2.096,35 204.112,36 1.605,37 0.15,38 0.15,39 4.006,40 14.312,41 429,42 11.398,43 13.086,44 5.083,45 15.928,46 202,47 5.995,48 5.995,49 2.923,51 1.78,52 2.502,53 1.78,54 8.07,55 8.07,56 462.014,57 40.051,58 3.461,59 11.291,60 817.882,61 9077.18,62 105.85,63 5019,64 70,65 22.143,66 1.998,67 1.998,68 15.711,69 3.158,70 5.9}
{0 CHEMBL2007002,2 4,3 1.159,4 138.915,5 4,6 1.983,8 3.34,9 58.5,10 1.702,11 8.207,12 14627,13 18.803,14 25938,15 2.813,16 4.334,17 4.334,18 1,19 5.904,20 3.813,21 15.141,22 124.382,23 18.803,24 13.152,25 82.5,26 3.165,27 4.49,28 1,29 1.5,30 3.391,31 1.332,32 46.374,33 17,34 1.742,35 184.415,36 1.519,37 1,38 1,39 4.187,40 14.562,41 631,42 11.674,43 15.838,44 5.972,45 25.306,46 291,47 6.558,48 6.558,49 3.001,51 1.546,52 2.22,53 1.546,54 8.159,55 8.159,56 425.884,57 46.333,58 3.597,59 18.233,60 1251.51,61 15937.9,62 133.595,63 8537,64 102,65 25.87,66 2.19,67 2.19,68 18.83,69 3.022,70 7.6}
{0 CHEMBL2007064,2 3,3 0.921,4 64.532,5 4,6 1.974,8 3.189,9 50,10 1.659,11 7.747,12 9156,13 16.56,14 15846,15 2.766,16 4.945,17 4.945,18 0.671,19 5.552,20 3.491,21 12.454,22 104.042,23 16.56,24 10.969,25 68.364,26 2.991,27 4.698,28 -0.004,29 -0.004,30 3.371,31 0.905,32 39.759,33 14.25,34 1.819,35 153.981,36 1.253,37 -0.004,38 -0.004,39 3.887,40 13.065,41 453,42 10.288,43 13.215,44 5,45 17.947,46 214,47 5.144,48 5.144,49 3.023,51 1.695,52 2.184,53 1.695,54 7.045,55 7.045,56 354.134,57 39.985,58 3.272,59 18.06,60 844.44,61 9467.38,62 106.838,63 5232,64 76,65 22.357,66 1.975,67 1.975,68 15.232,69 2.912,70 7.3}
{0 CHEMBL2007097,3 -1.522,4 26.915,5 1,6 0.484,7 5.477,8 2.529,9 24.5,10 1.433,11 5.632,12 1364,13 8.198,14 2421,15 1.464,16 -0.825,17 -0.825,18 -1.745,19 5.014,20 3.018,21 6.425,22 38.054,23 7.845,24 5.725,25 37.849,26 2.32,27 2.652,28 -1.766,29 -2.542,30 2.492,31 -1.381,32 18.695,33 7.5,34 0.013,35 92.863,36 -1.029,37 -1.916,38 -1.916,39 2.628,40 6.312,41 95,42 5.492,43 6.319,44 2.389,45 3.372,46 45,47 1.889,48 1.889,49 2.131,51 -0.316,52 -0.355,53 -0.316,54 5.748,55 5.748,56 220.374,57 18.744,58 2.861,60 116.946,61 777.189,62 35.309,63 642,64 20,65 10.602,66 0.734,67 0.734,68 7.615,69 1.912,70 4.3}
{0 CHEMBL2007124,2 6,3 1.097,4 99.432,5 8,6 2.474,8 3.339,9 62.5,10 1.694,11 8.167,12 19364,13 16.941,14 40151,15 2.709,16 5.262,17 5.262,18 1,19 5.578,20 3.667,21 15.006,22 119.627,23 19.441,24 11.597,25 81.982,26 3.26,27 4.74,28 0.982,29 1.338,30 3.435,31 1.078,32 44.366,33 17.25,34 1.844,35 180.264,36 1.189,37 1,38 1,39 4.713,40 13.671,41 715,42 10.515,43 15.528,44 5.778,45 27.893,46 339,47 6.086,48 6.086,49 2.987,51 1.942,52 2.575,53 1.942,54 7.673,55 7.673,56 554.601,57 44.034,58 3.61,59 10.893,60 1333.06,61 18049.7,62 137.138,63 9414,64 122,65 26.536,66 2.263,67 2.263,68 17.967,69 2.959,70 6.6}
{0 CHEMBL2007266,1 1,2 11,3 1.801,4 195.986,5 10,6 2.589,7 6.197,8 3.642,9 80.5,10 1.777,11 9.083,12 38485,13 24.907,14 67731,15 3.237,16 6.942,17 6.942,18 1.537,19 6.077,20 3.877,21 21.048,22 184.75,23 25.777,24 17.564,25 112.824,26 3.401,27 5.352,28 1.331,29 1.883,30 3.799,31 1.535,32 62.525,33 24,34 2.42,35 250.395,36 1.853,37 1.368,38 1.368,39 4.649,40 20.293,41 1298,42 15.727,43 21.694,44 8.083,45 56.995,46 595,47 7,48 7,49 3.36,50 3,51 2.313,52 3.056,53 2.313,54 8.747,55 8.747,56 571.108,57 62.445,58 3.694,59 26.926,60 2774.21,61 48085.7,62 208.366,63 23218,64 206,65 34.592,66 2.478,67 2.478,68 25.638,69 3.393,70 6.5}
{0 CHEMBL2007296,2 2,3 1.12,4 117.453,5 3,6 1.791,8 3.339,9 57,10 1.696,11 8.177,12 14612,13 19.062,14 23159,15 2.819,16 4.027,17 4.027,18 1,19 5.925,20 3.688,21 14.661,22 120.382,23 19.062,24 13.169,25 81.408,26 3.335,27 4.293,28 0.983,29 1.428,30 3.433,31 1.06,32 43.395,33 16.25,34 1.714,35 161.646,36 1.134,37 1,38 1,39 3.915,40 15.683,41 738,42 11.198,43 16.288,44 6.167,45 29.235,46 348,47 4.791,48 4.791,49 3.296,51 1.588,52 2.071,53 1.588,54 8.292,55 8.292,56 357.161,57 43.36,58 3.652,59 21.768,60 1331.12,61 17857.5,62 136.738,63 9312,64 118,65 26.526,66 1.9,67 1.9,68 18.739,69 3.052,70 5.9}
{0 CHEMBL2007375,2 4,3 1.189,4 81.453,5 6,6 2.113,8 3.34,9 61.5,10 1.7,11 8.205,12 16977,13 16.941,14 33402,15 2.878,16 5.238,17 5.238,18 1.063,19 5.536,20 3.551,21 15.159,22 123.627,23 19.441,24 11.652,25 81.687,26 3.271,27 4.775,28 0.878,29 1.297,30 3.427,31 1.098,32 44.153,33 17.5,34 1.91,35 181.421,36 1.444,37 0.901,38 0.901,39 4.742,40 14.055,41 623,42 10.297,43 15.176,44 5.889,45 23.202,46 297,47 6.367,48 6.367,49 3.112,51 1.859,52 2.554,53 1.859,54 7.535,55 7.535,56 538.813,57 44.192,58 3.545,59 10.951,60 1264.89,61 16492,62 134.599,63 8492,64 108,65 25.975,66 2.165,67 2.165,68 18.254,69 3.14,70 5.5}
{0 CHEMBL2007421,2 4,3 1,4 48.193,5 1,6 2.395,8 3.339,9 60.333,10 1.699,11 8.19,12 16552,13 19.018,14 30379,15 2.82,16 5.864,17 5.864,18 0.798,19 5.65,20 3.828,21 15.593,22 126.382,23 19.389,24 12.797,25 85.311,26 3.404,27 4.987,28 0.715,29 1.069,30 3.421,31 1.156,32 43.869,33 18.5,34 2.008,35 190.03,36 1.446,37 0.735,38 0.735,39 4.072,40 15.75,41 690,42 11.809,43 15.635,44 5.889,45 27.169,46 328,47 6.003,48 6.003,49 3.271,51 2.071,52 2.478,53 2.071,54 7.86,55 7.86,56 493.831,57 44.337,58 3.608,59 20.487,60 1308.45,61 17371,62 135.951,63 8977,64 113,65 26.317,66 2.206,67 2.206,68 18.471,69 3.145,70 8.801}
{0 CHEMBL2007479,2 3,3 -0.177,4 92.284,5 2,6 1.324,7 5.822,8 3.009,9 40.5,10 1.602,11 7.172,12 5288,13 14.018,14 7934,15 2.687,16 2.965,17 2.965,18 -0.287,19 5.108,20 3.49,21 10.376,22 76.711,23 13.665,24 9.628,25 61.128,26 2.949,27 3.596,28 -0.572,29 -0.773,30 3.136,31 0.508,32 30.293,33 11.5,34 1.185,35 136.483,36 0.831,37 -0.651,38 -0.651,39 3.674,40 11.666,41 353,42 8.374,43 11.479,44 4.417,45 15.202,46 172,47 3.047,48 3.047,49 2.892,50 2,51 1.221,52 1.615,53 1.221,54 6.019,55 6.019,56 279.161,57 30.428,58 3.011,59 11.626,60 559.716,61 5544.11,62 83.095,63 3222,64 57,65 19.211,66 1.539,67 1.539,68 13.206,69 2.876,70 5.5}
{0 CHEMBL2007559,2 1,3 1.089,4 68.751,5 5,6 2.218,8 3.374,9 64,10 1.709,11 8.294,12 19066,13 18.002,14 36329,15 2.97,16 5.978,17 5.978,18 1,19 6.03,20 3.609,21 16.103,22 125.851,23 20.148,24 12.661,25 89.623,26 3.405,27 5.018,28 0.833,29 1.203,30 3.519,31 1,32 45.247,33 18.5,34 1.822,35 206.05,36 1.224,37 0.938,38 0.938,39 4.356,40 15.747,41 729,42 10.934,43 16.527,44 6.125,45 31.061,46 349,47 6.313,48 6.313,49 3.172,51 2.036,52 2.778,53 2.036,54 8.597,55 8.597,56 552.467,57 45.342,58 3.824,59 23.744,60 1419.71,61 19325.8,62 142.55,63 9747,64 119,65 27.07,66 2.105,67 2.105,68 19.208,69 3.158,70 5.5}
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{0 CHEMBL211378,1 1,2 6,3 1.088,4 129.769,5 8,6 2.136,7 5.902,8 3.339,9 59,10 1.694,11 8.171,12 16307,13 18.803,14 29388,15 2.9,16 5.674,17 5.674,18 1,19 5.617,20 3.779,21 15.271,22 122.382,23 18.803,24 13.097,25 82.537,26 3.19,27 4.901,28 1,29 1.5,30 3.386,31 1.178,32 45.843,33 18.25,34 2.058,35 185.166,36 1.24,37 1,38 1,39 4.04,40 14.432,41 703,42 11.982,43 15.515,44 5.861,45 26.123,46 320,47 5.716,48 5.716,49 3.015,50 2,51 1.99,52 2.741,53 1.99,54 7.758,55 7.758,56 444.258,57 46.346,58 3.608,59 13.649,60 1304.95,61 17354.7,62 136.072,63 9415,64 119,65 26.359,66 2.095,67 2.095,68 18.591,69 2.966,70 5.9}
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{0 CHEMBL220057,1 1,2 10,3 1.185,4 163.527,5 12,6 2.136,7 5.986,8 3.339,9 57.5,10 1.695,11 8.174,12 15187,13 18.803,14 25854,15 2.912,16 5.401,17 5.401,18 1,19 5.618,20 3.791,21 15.127,22 122.382,23 18.803,24 13.097,25 81.175,26 3.266,27 4.9,28 1,29 1.5,30 3.394,31 1.178,32 45.905,33 17,34 1.983,35 179.265,36 1.24,37 1,38 1,39 4.032,40 14.784,41 675,42 11.982,43 15.515,44 5.861,45 25.783,46 307,47 5.724,48 5.724,49 3.151,50 3,51 1.913,52 2.702,53 1.913,54 7.772,55 7.772,56 387.803,57 46.374,58 3.623,59 14.632,60 1294.26,61 17230.3,62 135.876,63 9347,64 118,65 26.316,66 2.101,67 2.101,68 18.502,69 2.985,70 7.3}
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{0 CHEMBL230011,1 1,2 1,3 1.091,4 150.303,5 2,6 2.164,7 11.587,8 3.306,9 57,10 1.701,11 8.154,12 12062,13 18.259,14 22132,15 2.819,16 5.823,17 5.823,18 1.031,19 5.838,20 3.793,21 14.991,22 112.211,23 18.259,24 12.508,25 78.413,26 3.003,27 5.002,28 0.932,29 1.441,30 3.336,31 1.208,32 43.771,33 17.5,34 1.989,35 183.285,36 1.285,37 1,38 1,39 4.555,40 13.457,41 444,42 11.841,43 14.631,44 5.556,45 19.941,46 205,47 5.993,48 5.993,49 2.81,50 1,51 2.03,52 2.787,53 2.03,54 8.121,55 8.121,56 431.088,57 45.569,58 3.636,59 18.861,60 1022,61 12426.2,62 123.35,63 6705,64 80,65 24.278,66 2.109,67 2.109,68 17.75,69 2.846,70 5}
{0 CHEMBL2309006,2 5,3 1.703,4 105.754,5 3,6 2.622,8 3.535,9 71.5,10 1.769,11 8.884,12 17519,13 22.275,14 30965,15 3.026,16 8.432,17 8.432,18 1.513,19 7.068,20 3.791,21 20.376,22 166.465,23 22.275,24 15.983,25 99.877,26 3.371,27 6.05,28 1.405,29 1.976,30 3.654,31 1.667,32 66.741,33 23.25,34 2.507,35 307.921,36 1.989,37 1.433,38 1.433,39 4.426,40 17.923,41 598,42 15.933,43 20.109,44 6.715,45 22.498,46 255,47 9.099,48 9.099,49 3.277,51 2.392,52 3.086,53 2.392,54 12.128,55 12.128,56 518.616,57 68.402,58 4.173,59 40.317,60 1577.92,61 20584.4,62 162.632,63 11023,64 101,65 28.323,66 2.428,67 2.428,68 23.145,69 3.208,70 7.854}
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{0 CHEMBL234085,3 1.046,4 56.252,6 2.038,8 3.189,9 50,10 1.662,11 7.766,12 8585,13 16.397,14 14465,15 2.761,16 3.807,17 3.807,18 1,19 5.963,20 3.517,21 12.86,22 104.042,23 16.397,24 11.113,25 70.171,26 3.103,27 4.211,28 0.364,29 0.523,30 3.296,31 0.869,32 41.043,33 16,34 1.614,35 157.178,36 1.512,37 0.392,38 0.392,39 3.811,40 13.359,41 426,42 9.789,43 14.091,44 5.167,45 16.253,46 200,47 4.315,48 4.315,49 2.993,51 1.543,52 1.92,53 1.543,54 8.302,55 8.302,56 343.07,57 39.434,58 3.58,59 21.112,60 819.495,61 9094.07,62 105.892,63 5032,64 71,65 22.155,66 1.554,67 1.554,68 15.944,69 3.067,70 5.5}
{0 CHEMBL235157,2 4,3 1.008,4 154.514,5 4,6 2.189,7 12.258,8 3.269,9 54,10 1.689,11 8.029,12 9657,13 17.715,14 16149,15 2.912,16 5.841,17 5.841,18 0.831,19 6.203,20 3.551,21 14.249,22 114.096,23 17.715,24 12.045,25 75.942,26 3.102,27 5.153,28 0.335,29 0.435,30 3.195,31 1.152,32 43.567,33 16.5,34 1.918,35 186.418,36 1.441,37 0.388,38 0.388,39 4.052,40 14.252,41 456,42 11.005,43 14.504,44 5.5,45 17.392,46 211,47 7.035,48 7.035,49 3.012,50 4,51 1.902,52 2.72,53 1.902,54 9.126,55 9.126,56 386.552,57 45.802,58 3.72,59 19.614,60 940.163,61 10614.9,62 116.049,63 5796,64 73,65 23.211,66 2.192,67 2.192,68 17.453,69 3.007,70 5.5}
{0 CHEMBL242865,2 1,3 1.197,4 99.98,5 4,6 2.109,8 3.303,9 58.5,10 1.688,11 8.08,12 15873,13 18.518,14 31428,15 2.808,16 4.819,17 4.819,18 1,19 5.675,20 3.745,21 14.345,22 116.211,23 18.518,24 12.525,25 79.882,26 3.226,27 4.681,28 0.994,29 1.475,30 3.459,31 1.098,32 43.158,33 17.25,34 1.814,35 167.968,36 1.31,37 1,38 1,39 4.674,40 13.287,41 608,42 11.347,43 14.714,44 5.75,45 24.485,46 289,47 5.705,48 5.705,49 3.023,51 1.8,52 2.496,53 1.8,54 7.911,55 7.911,56 481.383,57 42.656,58 3.605,59 13.398,60 1185.92,61 15262.5,62 128.946,63 8027,64 107,65 25.397,66 2.016,67 2.016,68 17.67,69 2.975,70 5.5}
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{0 CHEMBL24828,2 1,3 1.47,4 96.981,5 1,6 2.419,8 3.44,9 65.25,10 1.728,11 8.504,12 19846,13 21.217,14 34433,15 3.022,16 5.707,17 5.707,18 1.099,19 5.997,20 3.771,21 17.491,22 143.207,23 21.087,24 14.696,25 100.45,26 3.435,27 4.937,28 0.983,29 1,30 3.741,31 1.323,32 49.994,33 20,34 2.205,35 232.1,36 1.708,37 1,38 1,39 4.12,40 18.577,41 819,42 13.396,43 18.245,44 6.611,45 33.431,46 379,47 6.281,48 6.281,49 3.11,51 2.096,52 2.613,53 2.096,54 8.482,55 8.482,56 505.9,57 50.647,58 3.611,59 30.973,60 1632.89,61 22764.7,62 154.829,63 11623,64 129,65 28.486,66 2.153,67 2.153,68 21.132,69 3.183,70 5.25}
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{0 CHEMBL255863,2 2,3 1.829,4 120.051,5 5,6 2.59,8 3.693,9 87,10 1.794,11 9.274,12 43633,13 25.07,14 83160,15 3.234,16 7.021,17 7.021,18 1.804,19 6.194,20 3.859,21 22.486,22 201.376,23 27.57,24 17.441,25 117.947,26 3.615,27 5.369,28 1.387,29 1.972,30 3.74,31 1.698,32 66.191,33 26.25,34 2.418,35 271.652,36 1.888,37 1.441,38 1.441,39 4.84,40 20.861,41 1254,42 16.067,43 22.293,44 8.278,45 46.154,46 576,47 8.158,48 8.158,49 3.506,51 2.389,52 3.207,53 2.389,54 9.271,55 9.271,56 710.72,57 65.954,58 3.853,59 23.789,60 2972.38,61 51240.4,62 219.503,63 24093,64 204,65 35.356,66 2.624,67 2.624,68 26.516,69 3.407,70 6.222}
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{0 CHEMBL260135,2 6,3 1,4 139.789,5 2,6 1.551,7 6.076,8 3.149,9 46.5,10 1.656,11 7.673,12 7049,13 14.941,14 11859,15 2.687,16 3.655,17 3.655,18 0.729,19 5.721,20 3.757,21 12.625,22 90.107,23 14.941,24 10.843,25 67.165,26 2.867,27 4.237,28 0.685,29 1.015,30 3.246,31 1,32 37.703,33 13.75,34 1.185,35 154.242,36 1,37 0.702,38 0.702,39 3.674,40 11.692,41 348,42 9.507,43 12.818,44 4.833,45 13.636,46 157,47 4.875,48 4.875,49 2.736,50 3,51 1.537,52 2.168,53 1.537,54 7.638,55 7.638,56 321.585,57 38.513,58 3.479,59 16.063,60 673.922,61 7212.2,62 97.435,63 4278,64 56,65 20.896,66 1.843,67 1.843,68 15.56,69 2.688,70 5.9}
{0 CHEMBL261849,2 3,3 1.014,4 181.509,5 2,6 2.168,7 11.445,8 3.339,9 59,10 1.697,11 8.178,12 15682,13 19.225,14 26932,15 2.9,16 5.633,17 5.633,18 1,19 5.48,20 3.762,21 15.025,22 124.382,23 19.225,24 13.084,25 83.083,26 3.129,27 4.915,28 0.493,29 0.639,30 3.23,31 1,32 43.138,33 17.5,34 2.109,35 171.074,36 1.311,37 0.562,38 0.562,39 4.347,40 15.307,41 729,42 11.371,43 16.066,44 6.139,45 28.571,46 345,47 6.253,48 6.253,49 3.021,50 3,51 1.993,52 2.655,53 1.993,54 7.336,55 7.336,56 410.493,57 43.819,58 3.614,59 21.488,60 1326.57,61 17729,62 136.523,63 9211,64 117,65 26.462,66 2.17,67 2.17,68 18.986,69 3.007,70 6.711}
{0 CHEMBL271381,1 1,2 7,3 1.274,4 172.739,5 9,6 2.354,7 5.989,8 3.408,9 62.75,10 1.714,11 8.383,12 20324,13 21.38,14 38544,15 3.064,16 5.715,17 5.715,18 1.106,19 5.631,20 3.827,21 16.48,22 134.881,23 20.38,24 14.623,25 96.808,26 3.36,27 4.902,28 1,29 1.5,30 3.738,31 1.277,32 49.105,33 18.75,34 2.279,35 226.06,36 1.531,37 1,38 1,39 4.246,40 16.987,41 787,42 13.517,43 16.893,44 6.389,45 29.857,46 362,47 6.87,48 6.87,49 3.153,50 3,51 2.1,52 2.758,53 2.1,54 7.804,55 7.804,56 509.137,57 49.956,58 3.633,59 17.073,60 1533.16,61 21375.8,62 149.347,63 11144,64 132,65 27.897,66 2.299,67 2.299,68 20.172,69 3.308,70 8.3}
{0 CHEMBL278041,2 2,3 1,4 116.197,5 5,6 1.832,8 3.268,9 54,10 1.687,11 8.015,12 11639,13 16.355,14 21419,15 2.687,16 4.826,17 4.826,18 1,19 5.772,20 3.772,21 14.339,22 104.096,23 17.225,24 11.81,25 75.981,26 2.918,27 4.657,28 0.983,29 1.5,30 3.545,31 1,32 42.412,33 16,34 1.445,35 168.927,36 1,37 1,38 1,39 3.777,40 13.148,41 501,42 10.375,43 14.445,44 5.444,45 21.28,46 229,47 5.992,48 5.992,49 2.822,51 1.764,52 2.485,53 1.764,54 7.837,55 7.837,56 402.495,57 43.082,58 3.554,59 18.786,60 991.396,61 11822,62 118.685,63 6547,64 81,65 23.908,66 2.192,67 2.192,68 17.429,69 2.768,70 5.3}
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{0 CHEMBL340384,2 1,3 1.39,4 116.452,5 2,6 2.407,7 5.404,8 3.376,9 60.833,10 1.72,11 8.359,12 15447,13 20.336,14 29619,15 3.011,16 5.389,17 5.389,18 1.127,19 6.175,20 3.762,21 15.76,22 130.606,23 19.836,24 13.741,25 86.948,26 3.326,27 4.919,28 0.983,29 1.5,30 3.506,31 1.208,32 49.58,33 18,34 2.141,35 206.512,36 1.6,37 1,38 1,39 4.635,40 15.22,41 559,42 12.896,43 16.11,44 6.056,45 24.286,46 260,47 6.656,48 6.656,49 2.914,50 1,51 1.882,52 2.66,53 1.882,54 9.141,55 9.141,56 501.971,57 49.338,58 3.834,59 21.677,60 1251.84,61 15798,62 136.74,63 8221,64 92,65 25.97,66 2.25,67 2.25,68 18.976,69 3.087,70 6.5}
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{0 CHEMBL394619,1 1,2 7,3 1.088,4 150.825,5 10,6 2.136,7 6.049,8 3.339,9 57,10 1.694,11 8.171,12 15615,13 19.156,14 27102,15 2.943,16 5.674,17 5.674,18 1,19 5.617,20 3.802,21 15.403,22 122.382,23 18.803,24 13.551,25 85.262,26 3.381,27 4.901,28 0.993,29 1.5,30 3.453,31 1.178,32 45.843,33 17,34 2.058,35 197.032,36 1.24,37 1,38 1,39 4.018,40 15.508,41 703,42 12.533,43 15.515,44 5.861,45 26.123,46 320,47 5.716,48 5.716,49 3.133,50 2,51 1.99,52 2.741,53 1.99,54 7.758,55 7.758,56 408.539,57 46.346,58 3.606,59 16.132,60 1304.95,61 17354.7,62 136.072,63 9415,64 119,65 26.359,66 2.095,67 2.095,68 18.668,69 3.022,70 7.1}
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{0 CHEMBL491473,3 1.581,4 97.977,6 2.323,8 3.532,9 72.5,10 1.751,11 8.77,12 24894,13 21.916,14 41140,15 3.013,16 6.151,17 6.151,18 1.47,19 6.051,20 3.729,21 19.42,22 162.465,23 22.786,24 15.691,25 102.346,26 3.39,27 5.183,28 1.206,29 1.522,30 3.504,31 1.561,32 56.457,33 22.5,34 2.283,35 235.833,36 1.863,37 1.332,38 1.332,39 4.322,40 18.858,41 993,42 13.961,43 20.254,44 7.25,45 40.777,46 448,47 6.997,48 6.997,49 3.351,51 2.018,52 2.545,53 2.018,54 8.715,55 8.715,56 521.051,57 56.473,58 3.597,59 25.697,60 2060.66,61 31239.1,62 176.565,63 15867,64 154,65 31.049,66 2.453,67 2.453,68 23.51,69 3.286,70 5.3}
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{0 CHEMBL513909,3 1.938,4 84.909,5 2,6 2.803,8 3.668,9 82.5,10 1.787,11 9.189,12 32586,13 26.811,14 50645,15 3.181,16 7.057,17 7.057,18 1.808,19 6.218,20 3.73,21 21.543,22 191.421,23 26.811,24 18.389,25 116.099,26 3.507,27 5.392,28 1.27,29 1.692,30 3.665,31 1.857,32 64.991,33 26.25,34 2.464,35 269.849,36 2.176,37 1.272,38 1.272,39 4.311,40 22.866,41 1181,42 16.495,43 24.229,44 8.417,45 45.526,46 541,47 8.238,48 8.238,49 3.429,51 2.453,52 2.7,53 2.453,54 9.008,55 9.008,56 527.84,57 66.159,58 3.685,59 46.069,60 2790.61,61 46312.4,62 211.289,63 21931,64 193,65 34.488,66 2.565,67 2.565,68 26.489,69 3.332,70 5}
{0 CHEMBL519697,2 2,3 1.754,4 120.41,5 4,6 2.493,8 3.472,9 66.5,10 1.734,11 8.585,12 21082,13 21.957,14 34910,15 2.956,16 6.494,17 6.494,18 1.382,19 6.049,20 3.778,21 17.082,22 145.58,23 21.957,24 14.974,25 93.41,26 3.352,27 5.274,28 1,29 1.321,30 3.519,31 1.322,32 55.867,33 20.25,34 2.223,35 210.337,36 1.868,37 1,38 1,39 4.226,40 17.76,41 902,42 13.37,43 18.768,44 6.861,45 35.347,46 419,47 6.832,48 6.832,49 3.202,51 2.047,52 2.572,53 2.047,54 8.671,55 8.671,56 458.155,57 53.443,58 3.815,59 26.529,60 1791.62,61 25893.7,62 162.693,63 13054,64 142,65 29.443,66 2.369,67 2.369,68 21.218,69 3.178,70 5.9}
{0 CHEMBL521851,3 1.551,4 60.554,5 1,6 2.465,8 3.589,9 76.5,10 1.771,11 8.972,12 29135,13 24.597,14 53154,15 3.2,16 7.244,17 7.244,18 1.547,19 6.634,20 4.056,21 21.261,22 169.525,23 23.993,24 18.256,25 120.258,26 3.591,27 5.474,28 1.331,29 1.679,30 3.665,31 1.529,32 62.698,33 24.5,34 2.312,35 325.557,36 1.945,37 1.442,38 1.442,39 4.336,40 21.108,41 945,42 18.353,43 21.272,44 7.333,45 39.378,46 421,47 7.774,48 7.774,49 3.47,51 2.379,52 2.698,53 2.379,54 10.64,55 10.64,56 594.77,57 61.602,58 4.021,59 41.626,60 2240.01,61 34343.3,62 187.789,63 17221,64 156,65 31.943,66 2.479,67 2.479,68 24.654,69 3.417,70 5}
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{0 CHEMBL525191,2 3,3 1.126,4 75.113,5 3,6 2.061,8 3.268,9 54,10 1.686,11 8.007,12 11139,13 17.225,14 19534,15 2.687,16 4.321,17 4.321,18 1,19 5.762,20 3.67,21 14.159,22 112.096,23 17.225,24 12.296,25 77.271,26 3.154,27 4.533,28 0.752,29 1.052,30 3.361,31 0.983,32 44.605,33 16,34 1.757,35 171.596,36 1.473,37 0.789,38 0.789,39 3.788,40 13.631,41 510,42 10.595,43 15.205,44 5.639,45 21.267,46 234,47 5.756,48 5.756,49 3.099,51 1.675,52 2.302,53 1.675,54 7.804,55 7.804,56 373.572,57 43.423,58 3.454,59 22.914,60 1002.81,61 11865.8,62 118.82,63 6548,64 81,65 23.89,66 1.897,67 1.897,68 17.81,69 2.935,70 5}
{0 CHEMBL526133,2 3,3 1,4 93.931,5 4,6 1.653,8 3.148,9 47,10 1.647,11 7.624,12 8179,13 14.941,14 14496,15 2.687,16 4.226,17 4.226,18 0.672,19 5.941,20 3.644,21 12.635,22 94.107,23 14.941,24 10.793,25 67.105,26 2.971,27 4.359,28 0.396,29 0.604,30 3.245,31 1,32 38.813,33 14.25,34 1.534,35 151.238,36 1.065,37 0.409,38 0.409,39 3.734,40 11.576,41 424,42 9.755,43 12.908,44 4.75,45 15.521,46 189,47 4.365,48 4.365,49 2.853,51 1.534,52 2.301,53 1.534,54 8.372,55 8.372,56 341.637,57 37.819,58 3.559,59 9.464,60 747.001,61 8027.79,62 99.962,63 4829,64 68,65 21.468,66 1.734,67 1.734,68 15.395,69 2.844,70 5.9}
{0 CHEMBL535,2 5,3 1.546,4 67.972,5 3,6 2.546,8 3.408,9 63.5,10 1.719,11 8.406,12 16865,13 20.259,14 26966,15 2.998,16 5.734,17 5.734,18 0.941,19 5.705,20 3.619,21 15.616,22 136.881,23 21.129,24 13.456,25 87.002,26 3.311,27 4.966,28 0.771,29 1.057,30 3.44,31 1.355,32 48.507,33 18.5,34 2.205,35 193.084,36 1.567,37 0.787,38 0.787,39 4.045,40 17.28,41 707,42 11.821,43 17.408,44 6.528,45 30.19,46 338,47 6.623,48 6.623,49 3.205,51 1.936,52 2.442,53 1.936,54 7.519,55 7.519,56 440.779,57 49.823,58 3.416,59 29.772,60 1503.13,61 20612.1,62 148.127,63 10241,64 121,65 27.641,66 2.267,67 2.267,68 19.62,69 3.04,70 5.292}
{0 CHEMBL539474,3 0.952,4 77.294,5 2,6 1.999,8 3.104,9 45.5,10 1.63,11 7.472,12 7001,13 14.397,14 11979,15 2.67,16 3.405,17 3.405,18 0.509,19 5.95,20 3.623,21 12.181,22 92.239,23 14.397,24 10.22,25 63.997,26 2.961,27 4.064,28 0.028,29 0.034,30 3.208,31 0.882,32 38.254,33 14.5,34 1.593,35 155.59,36 1.038,37 0.028,38 0.028,39 3.689,40 11.503,41 380,42 9.479,43 12.873,44 4.472,45 14.98,46 169,47 6.043,48 6.043,49 2.932,51 1.332,52 1.909,53 1.332,54 8.265,55 8.265,56 325.024,57 37.474,58 3.563,59 10.289,60 668.459,61 6919.53,62 93.695,63 4264,64 66,65 20.557,66 2.042,67 2.042,68 14.582,69 2.78,70 5.9}
{0 CHEMBL546797,3 0.8,4 82.855,5 2,6 1.532,8 3.105,9 45.5,10 1.634,11 7.49,12 7138,13 14.234,14 12551,15 2.79,16 4.312,17 4.312,18 0.347,19 6.022,20 3.487,21 12.29,22 74.239,23 14.234,24 10.348,25 64.984,26 2.949,27 4.414,28 0.328,29 0.521,30 3.209,31 0.943,32 38.71,33 14.5,34 1.532,35 152.597,36 1.305,37 0.347,38 0.347,39 3.852,40 10.908,41 374,42 9.144,43 12.153,44 4.611,45 14.408,46 166,47 4.312,48 4.312,49 2.782,51 1.532,52 2.298,53 1.532,54 8.566,55 8.566,56 337.961,57 37.256,58 3.555,59 10.847,60 660.836,61 6830.43,62 93.376,63 4208,64 61,65 20.511,66 1.532,67 1.532,68 15.028,69 2.791,70 5.5}
{0 CHEMBL550418,2 6,3 1.328,4 123.944,5 8,6 2.179,8 3.305,9 57,10 1.693,11 8.112,12 12620,13 18.259,14 22984,15 2.841,16 5.173,17 5.173,18 0.941,19 6.2,20 3.696,21 14.674,22 122.211,23 18.259,24 12.563,25 79.041,26 3.057,27 4.874,28 0.464,29 0.615,30 3.278,31 1.329,32 45.185,33 16.75,34 1.983,35 184.826,36 1.414,37 0.531,38 0.531,39 4.297,40 13.907,41 534,42 11.497,43 15.277,44 5.667,45 20.426,46 245,47 6.395,48 6.395,49 2.954,51 1.8,52 2.379,53 1.8,54 9.162,55 9.162,56 425.438,57 45.71,58 3.767,59 16.024,60 1094.38,61 13133.1,62 124.966,63 7141,64 90,65 24.584,66 2.129,67 2.129,68 17.928,69 2.975,70 5.5}
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