@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2938

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL102858,CHEMBL102991,CHEMBL103055,CHEMBL103091,CHEMBL103506,CHEMBL103628,CHEMBL103667,CHEMBL105477,CHEMBL106384,CHEMBL1082440,CHEMBL1084546,CHEMBL1090356,CHEMBL1090360,CHEMBL109834,CHEMBL109977,CHEMBL116070,CHEMBL1164265,CHEMBL1173055,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230122,CHEMBL1236126,CHEMBL1241473,CHEMBL1242373,CHEMBL124660,CHEMBL1256416,CHEMBL1258117,CHEMBL1258348,CHEMBL1258349,CHEMBL127898,CHEMBL130774,CHEMBL131035,CHEMBL131254,CHEMBL132223,CHEMBL1336,CHEMBL1375418,CHEMBL1375640,CHEMBL1381197,CHEMBL1419458,CHEMBL1421,CHEMBL1461728,CHEMBL146846,CHEMBL146847,CHEMBL148745,CHEMBL149313,CHEMBL149604,CHEMBL149873,CHEMBL150264,CHEMBL150422,CHEMBL1516890,CHEMBL151731,CHEMBL151800,CHEMBL151822,CHEMBL151823,CHEMBL1614705,CHEMBL162,CHEMBL1624529,CHEMBL1682341,CHEMBL1682345,CHEMBL1682346,CHEMBL1682357,CHEMBL1682359,CHEMBL1682360,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682558,CHEMBL1727312,CHEMBL173348,CHEMBL17370,CHEMBL175845,CHEMBL177308,CHEMBL177635,CHEMBL177688,CHEMBL1782082,CHEMBL178737,CHEMBL178945,CHEMBL1794808,CHEMBL1807163,CHEMBL1825138,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1890036,CHEMBL1929238,CHEMBL1958401,CHEMBL196363,CHEMBL1964290,CHEMBL1964307,CHEMBL1964399,CHEMBL1964413,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964777,CHEMBL1964804,CHEMBL1964937,CHEMBL1965131,CHEMBL1965351,CHEMBL1965423,CHEMBL1965495,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965631,CHEMBL1965660,CHEMBL1965836,CHEMBL1965845,CHEMBL1965910,CHEMBL1965988,CHEMBL1966035,CHEMBL1966069,CHEMBL1966087,CHEMBL1966279,CHEMBL1966343,CHEMBL1966425,CHEMBL1966514,CHEMBL1966524,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1967094,CHEMBL1967116,CHEMBL1967302,CHEMBL1967531,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1968070,CHEMBL1968127,CHEMBL1968151,CHEMBL1968245,CHEMBL1968380,CHEMBL1968406,CHEMBL1968590,CHEMBL1968705,CHEMBL1968791,CHEMBL1968850,CHEMBL1968926,CHEMBL1969042,CHEMBL1969049,CHEMBL1969102,CHEMBL1969126,CHEMBL1969190,CHEMBL1969264,CHEMBL1969301,CHEMBL1969372,CHEMBL1969502,CHEMBL1969506,CHEMBL1969523,CHEMBL1969537,CHEMBL1969561,CHEMBL1969588,CHEMBL1969664,CHEMBL1969735,CHEMBL1969755,CHEMBL1969843,CHEMBL1969879,CHEMBL1970006,CHEMBL1970074,CHEMBL1970083,CHEMBL1970104,CHEMBL1970142,CHEMBL1970189,CHEMBL1970203,CHEMBL1970217,CHEMBL1970314,CHEMBL1970317,CHEMBL1970340,CHEMBL1970369,CHEMBL1970522,CHEMBL1970709,CHEMBL1970735,CHEMBL1970806,CHEMBL1970879,CHEMBL1970903,CHEMBL1970913,CHEMBL1971017,CHEMBL1971021,CHEMBL1971029,CHEMBL1971141,CHEMBL1971149,CHEMBL1971186,CHEMBL1971245,CHEMBL1971430,CHEMBL1971649,CHEMBL1971694,CHEMBL1971801,CHEMBL1971943,CHEMBL1971947,CHEMBL1972119,CHEMBL1972125,CHEMBL1972142,CHEMBL1972152,CHEMBL1972158,CHEMBL1972183,CHEMBL1972221,CHEMBL1972250,CHEMBL1972258,CHEMBL1972276,CHEMBL1972362,CHEMBL1972489,CHEMBL1972568,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972820,CHEMBL1972840,CHEMBL1972849,CHEMBL1972937,CHEMBL1973098,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973395,CHEMBL1973483,CHEMBL1973540,CHEMBL1973711,CHEMBL1973808,CHEMBL1973860,CHEMBL1973893,CHEMBL1973937,CHEMBL1973961,CHEMBL1974157,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974457,CHEMBL1974664,CHEMBL1974702,CHEMBL1974803,CHEMBL1974870,CHEMBL1974935,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975208,CHEMBL1975233,CHEMBL1975256,CHEMBL1975357,CHEMBL1975418,CHEMBL1975490,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1975787,CHEMBL1975900,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976220,CHEMBL1976240,CHEMBL1976328,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1977041,CHEMBL1977135,CHEMBL1977148,CHEMBL1977223,CHEMBL1977294,CHEMBL1977346,CHEMBL1977374,CHEMBL1977604,CHEMBL1977681,CHEMBL1977713,CHEMBL1978014,CHEMBL1978099,CHEMBL1978200,CHEMBL1978448,CHEMBL1978656,CHEMBL1979057,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979318,CHEMBL1979357,CHEMBL1979516,CHEMBL1979554,CHEMBL1979577,CHEMBL1979718,CHEMBL1979855,CHEMBL1979883,CHEMBL1979970,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980297,CHEMBL1980391,CHEMBL1980489,CHEMBL1980540,CHEMBL1980704,CHEMBL1980715,CHEMBL1980802,CHEMBL1980896,CHEMBL1980995,CHEMBL1981045,CHEMBL1981047,CHEMBL1981079,CHEMBL1981107,CHEMBL1981410,CHEMBL1981720,CHEMBL1981725,CHEMBL1981782,CHEMBL1982122,CHEMBL1982135,CHEMBL1982167,CHEMBL1982361,CHEMBL1982383,CHEMBL1982465,CHEMBL1982466,CHEMBL1982476,CHEMBL1982506,CHEMBL1982541,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982711,CHEMBL1982866,CHEMBL1982874,CHEMBL1982880,CHEMBL1982924,CHEMBL1982957,CHEMBL1982980,CHEMBL1982992,CHEMBL1983006,CHEMBL1983025,CHEMBL1983111,CHEMBL1983195,CHEMBL1983268,CHEMBL1983309,CHEMBL1983449,CHEMBL1983534,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1984038,CHEMBL1984039,CHEMBL1984044,CHEMBL1984162,CHEMBL1984191,CHEMBL1984206,CHEMBL1984274,CHEMBL1984363,CHEMBL1984367,CHEMBL1984432,CHEMBL1984541,CHEMBL1984586,CHEMBL1984633,CHEMBL1984700,CHEMBL1984711,CHEMBL1984788,CHEMBL1984842,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985311,CHEMBL1985406,CHEMBL1985566,CHEMBL1985580,CHEMBL1986139,CHEMBL1986186,CHEMBL1986263,CHEMBL1986328,CHEMBL1986499,CHEMBL1986530,CHEMBL1986597,CHEMBL1986603,CHEMBL1986781,CHEMBL1986869,CHEMBL1986943,CHEMBL1986970,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987054,CHEMBL1987359,CHEMBL1987533,CHEMBL1987648,CHEMBL1987679,CHEMBL1987756,CHEMBL1987793,CHEMBL1987910,CHEMBL1987982,CHEMBL1988075,CHEMBL1988153,CHEMBL1988163,CHEMBL1988173,CHEMBL1988300,CHEMBL1988370,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988594,CHEMBL1988608,CHEMBL1988717,CHEMBL1988838,CHEMBL1988995,CHEMBL1989029,CHEMBL1989265,CHEMBL1989474,CHEMBL1989518,CHEMBL1989646,CHEMBL1989708,CHEMBL1989805,CHEMBL1989957,CHEMBL1990212,CHEMBL1990254,CHEMBL1990288,CHEMBL1990346,CHEMBL1990415,CHEMBL1990482,CHEMBL1990496,CHEMBL1990583,CHEMBL1990635,CHEMBL1990821,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991063,CHEMBL1991078,CHEMBL1991138,CHEMBL1991143,CHEMBL1991180,CHEMBL1991188,CHEMBL1991285,CHEMBL1991356,CHEMBL1991395,CHEMBL1991429,CHEMBL1991434,CHEMBL1991577,CHEMBL1991640,CHEMBL1991674,CHEMBL1991678,CHEMBL1991725,CHEMBL1991728,CHEMBL1991800,CHEMBL1991846,CHEMBL1992242,CHEMBL1992306,CHEMBL1992323,CHEMBL1992342,CHEMBL1992536,CHEMBL1992555,CHEMBL1992634,CHEMBL1992644,CHEMBL1992645,CHEMBL1992732,CHEMBL1992740,CHEMBL1992796,CHEMBL1992922,CHEMBL1992937,CHEMBL199299,CHEMBL1993166,CHEMBL1993243,CHEMBL1993424,CHEMBL1993548,CHEMBL1993584,CHEMBL1993661,CHEMBL1993722,CHEMBL1993781,CHEMBL1993941,CHEMBL1994040,CHEMBL1994074,CHEMBL1994241,CHEMBL1994321,CHEMBL1994361,CHEMBL1994526,CHEMBL1994538,CHEMBL1994693,CHEMBL1994830,CHEMBL1994864,CHEMBL1994938,CHEMBL1995172,CHEMBL1995391,CHEMBL1995448,CHEMBL1995592,CHEMBL1995736,CHEMBL1995740,CHEMBL1995813,CHEMBL1995832,CHEMBL1995927,CHEMBL1996048,CHEMBL1996066,CHEMBL1996111,CHEMBL1996155,CHEMBL1996208,CHEMBL1996234,CHEMBL1996390,CHEMBL1996500,CHEMBL1996543,CHEMBL1996587,CHEMBL1996780,CHEMBL1996791,CHEMBL1996817,CHEMBL1996831,CHEMBL1996923,CHEMBL1996931,CHEMBL1996979,CHEMBL1997023,CHEMBL1997025,CHEMBL1997129,CHEMBL1997340,CHEMBL1997349,CHEMBL1997503,CHEMBL1997534,CHEMBL1997597,CHEMBL1997617,CHEMBL1997623,CHEMBL1997759,CHEMBL1997764,CHEMBL1997822,CHEMBL1997846,CHEMBL1997872,CHEMBL1998112,CHEMBL1998121,CHEMBL1998193,CHEMBL1998414,CHEMBL1998435,CHEMBL1998545,CHEMBL1998551,CHEMBL1998585,CHEMBL1998611,CHEMBL1998829,CHEMBL1999112,CHEMBL1999126,CHEMBL1999321,CHEMBL1999428,CHEMBL1999496,CHEMBL1999556,CHEMBL1999590,CHEMBL1999714,CHEMBL1999718,CHEMBL1999749,CHEMBL1999774,CHEMBL1999811,CHEMBL1999918,CHEMBL1999931,CHEMBL2000071,CHEMBL2000104,CHEMBL2000114,CHEMBL2000271,CHEMBL2000335,CHEMBL2000345,CHEMBL2000354,CHEMBL2000393,CHEMBL2000408,CHEMBL2000429,CHEMBL2000433,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000685,CHEMBL2000801,CHEMBL2000832,CHEMBL2000894,CHEMBL2001224,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001485,CHEMBL2001547,CHEMBL2001668,CHEMBL2001751,CHEMBL2001920,CHEMBL2001923,CHEMBL2001957,CHEMBL2001998,CHEMBL2002165,CHEMBL2002240,CHEMBL2002322,CHEMBL2002323,CHEMBL2002373,CHEMBL2002407,CHEMBL2002446,CHEMBL2002479,CHEMBL2002553,CHEMBL2002649,CHEMBL2002682,CHEMBL2002702,CHEMBL2002726,CHEMBL2002992,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003524,CHEMBL2003638,CHEMBL2003657,CHEMBL2003768,CHEMBL2003817,CHEMBL2004072,CHEMBL2004290,CHEMBL2004311,CHEMBL2004355,CHEMBL2004365,CHEMBL2004419,CHEMBL2004438,CHEMBL2004447,CHEMBL2004513,CHEMBL2004544,CHEMBL2004615,CHEMBL2004647,CHEMBL2004692,CHEMBL2004716,CHEMBL2004771,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2004934,CHEMBL2005112,CHEMBL2005186,CHEMBL2005375,CHEMBL2005475,CHEMBL2005528,CHEMBL2005548,CHEMBL2005631,CHEMBL2005792,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006010,CHEMBL2006156,CHEMBL2006188,CHEMBL2006237,CHEMBL2006263,CHEMBL2006276,CHEMBL2006439,CHEMBL2006481,CHEMBL2006493,CHEMBL2006580,CHEMBL2006581,CHEMBL2006631,CHEMBL2006715,CHEMBL2006778,CHEMBL2006785,CHEMBL2006836,CHEMBL2006933,CHEMBL2007002,CHEMBL2007044,CHEMBL2007064,CHEMBL2007138,CHEMBL2007151,CHEMBL2007296,CHEMBL2007372,CHEMBL2007592,CHEMBL202635,CHEMBL202930,CHEMBL206866,CHEMBL207253,CHEMBL207400,CHEMBL207544,CHEMBL207995,CHEMBL208637,CHEMBL209534,CHEMBL210032,CHEMBL210390,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL213505,CHEMBL2148106,CHEMBL2148107,CHEMBL2148108,CHEMBL215152,CHEMBL215803,CHEMBL219722,CHEMBL220057,CHEMBL220241,CHEMBL223257,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL225519,CHEMBL226403,CHEMBL226471,CHEMBL2310935,CHEMBL231209,CHEMBL23254,CHEMBL2326002,CHEMBL23327,CHEMBL2333365,CHEMBL234085,CHEMBL242753,CHEMBL243088,CHEMBL244378,CHEMBL246970,CHEMBL248757,CHEMBL249282,CHEMBL253969,CHEMBL256835,CHEMBL259084,CHEMBL259850,CHEMBL259922,CHEMBL260092,CHEMBL260135,CHEMBL261387,CHEMBL262433,CHEMBL262980,CHEMBL263910,CHEMBL264406,CHEMBL265559,CHEMBL265998,CHEMBL267144,CHEMBL271381,CHEMBL271403,CHEMBL272453,CHEMBL27266,CHEMBL274064,CHEMBL27768,CHEMBL279115,CHEMBL28205,CHEMBL285801,CHEMBL291975,CHEMBL292495,CHEMBL293500,CHEMBL293805,CHEMBL294037,CHEMBL294303,CHEMBL295806,CHEMBL296468,CHEMBL296586,CHEMBL296682,CHEMBL300138,CHEMBL300422,CHEMBL300549,CHEMBL301860,CHEMBL302449,CHEMBL302998,CHEMBL303205,CHEMBL304549,CHEMBL305667,CHEMBL305718,CHEMBL306170,CHEMBL306373,CHEMBL306380,CHEMBL306427,CHEMBL306580,CHEMBL306623,CHEMBL306883,CHEMBL306884,CHEMBL307708,CHEMBL307747,CHEMBL308263,CHEMBL309034,CHEMBL309078,CHEMBL311399,CHEMBL311543,CHEMBL312067,CHEMBL315357,CHEMBL315389,CHEMBL316239,CHEMBL316264,CHEMBL318971,CHEMBL321315,CHEMBL321529,CHEMBL326208,CHEMBL326282,CHEMBL326688,CHEMBL326971,CHEMBL328229,CHEMBL332575,CHEMBL334555,CHEMBL336179,CHEMBL336961,CHEMBL337642,CHEMBL337834,CHEMBL340259,CHEMBL340384,CHEMBL340776,CHEMBL340921,CHEMBL340935,CHEMBL345767,CHEMBL358264,CHEMBL359486,CHEMBL359808,CHEMBL360304,CHEMBL362558,CHEMBL363648,CHEMBL366266,CHEMBL366668,CHEMBL367106,CHEMBL367107,CHEMBL367127,CHEMBL367162,CHEMBL367457,CHEMBL367488,CHEMBL368193,CHEMBL368416,CHEMBL368720,CHEMBL368895,CHEMBL371206,CHEMBL373598,CHEMBL375284,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL378963,CHEMBL379218,CHEMBL379835,CHEMBL383264,CHEMBL383541,CHEMBL38380,CHEMBL387971,CHEMBL389745,CHEMBL392642,CHEMBL394619,CHEMBL394790,CHEMBL395080,CHEMBL396523,CHEMBL398951,CHEMBL399981,CHEMBL401369,CHEMBL402846,CHEMBL404367,CHEMBL411903,CHEMBL412142,CHEMBL413779,CHEMBL417051,CHEMBL41783,CHEMBL419866,CHEMBL421217,CHEMBL421790,CHEMBL421866,CHEMBL422056,CHEMBL422897,CHEMBL423323,CHEMBL424872,CHEMBL426587,CHEMBL427118,CHEMBL431955,CHEMBL432130,CHEMBL432168,CHEMBL433101,CHEMBL437747,CHEMBL438485,CHEMBL439996,CHEMBL440201,CHEMBL441802,CHEMBL441897,CHEMBL443962,CHEMBL444877,CHEMBL45053,CHEMBL451964,CHEMBL458997,CHEMBL46053,CHEMBL461876,CHEMBL462120,CHEMBL46252,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL475816,CHEMBL481491,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL484390,CHEMBL48546,CHEMBL485556,CHEMBL48636,CHEMBL48665,CHEMBL489520,CHEMBL48988,CHEMBL491473,CHEMBL491758,CHEMBL492118,CHEMBL49354,CHEMBL497151,CHEMBL502585,CHEMBL504950,CHEMBL507936,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL509553,CHEMBL513846,CHEMBL514499,CHEMBL519697,CHEMBL522428,CHEMBL522892,CHEMBL523155,CHEMBL523823,CHEMBL52387,CHEMBL52529,CHEMBL526133,CHEMBL52654,CHEMBL535331,CHEMBL53596,CHEMBL536151,CHEMBL539474,CHEMBL54382,CHEMBL553,CHEMBL55394,CHEMBL554,CHEMBL55788,CHEMBL560813,CHEMBL565612,CHEMBL572878,CHEMBL573339,CHEMBL578061,CHEMBL583144,CHEMBL590109,CHEMBL592030,CHEMBL59451,CHEMBL59677,CHEMBL59687,CHEMBL59828,CHEMBL60254,CHEMBL60455,CHEMBL63262,CHEMBL6453,CHEMBL67290,CHEMBL67442,CHEMBL67716,CHEMBL67788,CHEMBL70078,CHEMBL7064,CHEMBL71331,CHEMBL72480,CHEMBL7463,CHEMBL75004,CHEMBL75661,CHEMBL75680,CHEMBL76537,CHEMBL76920,CHEMBL77399,CHEMBL77970,CHEMBL78129,CHEMBL80525,CHEMBL91829,CHEMBL91959,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute Br.095 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.010 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.013 numeric
@attribute C.014 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 numeric
@attribute C.020 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.036 numeric
@attribute C.037 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DD numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_DP numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_02_PP numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DN numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_06_PP numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_08_PP numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CATS2D_09_PP numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute Cl.090 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr04 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr11 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.dm. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.dm. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.dm. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.dm. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.dm. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.083 numeric
@attribute F.084 numeric
@attribute F.085 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute H.054 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.50 numeric
@attribute Hypnotic.80 numeric
@attribute I.099 numeric
@attribute I.100 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.067 numeric
@attribute N.068 numeric
@attribute N.069 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute N.076 numeric
@attribute N.078 numeric
@attribute n124.Triazines numeric
@attribute n135.Triazines numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCHO numeric
@attribute nArCN numeric
@attribute nArC.N numeric
@attribute nArCNO numeric
@attribute nArCO numeric
@attribute nArCONH2 numeric
@attribute nArCONHR numeric
@attribute nArCONR2 numeric
@attribute nArCOOH numeric
@attribute nArCOOR numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNO2 numeric
@attribute nArNR2 numeric
@attribute nArOCON numeric
@attribute nArOH numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nAzetidines numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBR numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCconjX numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nC.N.N. numeric
@attribute nC..N.N2 numeric
@attribute nCONN numeric
@attribute nCp numeric
@attribute nCq numeric
@attribute nCrq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCRX3 numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nCXr. numeric
@attribute nDB numeric
@attribute NdCH2 numeric
@attribute NddsN numeric
@attribute NddssS numeric
@attribute NdNH numeric
@attribute NdO numeric
@attribute NdS numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute NdssS numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nFuranes numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nI numeric
@attribute nImidazoles numeric
@attribute nIsothiazoles numeric
@attribute nIsoxazoles numeric
@attribute nN numeric
@attribute nN.C.N. numeric
@attribute nN.CO.2 numeric
@attribute nN.N numeric
@attribute nN.N.1 numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHp numeric
@attribute nOHs numeric
@attribute nOHt numeric
@attribute nOxazoles numeric
@attribute nOxolanes numeric
@attribute nPyrazines numeric
@attribute nPyrazoles numeric
@attribute nPyridazines numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nPyrroles numeric
@attribute nPyrrolidines numeric
@attribute nR03 numeric
@attribute nR04 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR08 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nR11 numeric
@attribute nR12 numeric
@attribute nR.C. numeric
@attribute nR.CH.X numeric
@attribute nRCN numeric
@attribute nRC.N numeric
@attribute nRCO numeric
@attribute nRCONH2 numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOH numeric
@attribute nRCOOR numeric
@attribute nR.Cp numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nRNH2 numeric
@attribute nRNHR numeric
@attribute nRNR2 numeric
@attribute nROCON numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nRSR numeric
@attribute nS numeric
@attribute NsBr numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute NsI numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nSO numeric
@attribute nS..O.2 numeric
@attribute nSO2N numeric
@attribute nSO2OH numeric
@attribute nSO3OH numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NsSH numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nTB numeric
@attribute NtCH numeric
@attribute nThiazoles numeric
@attribute nThiophenes numeric
@attribute NtN numeric
@attribute nTriazoles numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute O.061 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_0d numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_0d numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_1d numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute Psychotic.50 numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_m_5 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_4 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_p_4 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute P_VSA_v_4 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.106 numeric
@attribute S.107 numeric
@attribute S.108 numeric
@attribute S.109 numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaaO numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdCH2 numeric
@attribute SddsN numeric
@attribute SddssS numeric
@attribute SdNH numeric
@attribute SdO numeric
@attribute SdS numeric
@attribute SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute SdssS numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW03 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsBr numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsI numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SsSH numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute StCH numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.682,2 10.037,3 3.884,4 15.085,5 105.742,6 8.778,7 0.767,8 3.876,9 3.969,10 3.685,11 3.557,12 5.067,13 3.514,14 4.342,15 4.468,16 3.966,17 3.915,18 5.557,19 3.863,20 4.56,21 4.722,22 3.994,23 3.994,24 5.781,25 3.931,26 4.58,27 4.762,28 3.908,29 3.95,30 5.751,31 3.886,32 4.601,33 4.819,34 3.857,35 3.946,36 5.646,37 3.871,38 4.499,39 4.692,40 3.898,41 3.935,42 5.602,43 3.856,44 4.493,45 4.659,46 3.897,47 3.953,48 5.719,49 3.858,50 4.594,51 4.821,52 3.718,53 3.862,54 5.71,55 3.742,56 0.057,57 0.666,58 7.483,59 3.94,60 8.578,61 4.237,62 0.115,63 1.074,64 14.667,65 6.738,66 15.682,67 7.342,68 0.247,69 1.318,70 18.974,71 8.268,72 43.026,73 8.97,74 0.275,75 1.334,76 19.434,77 7.928,78 40.885,79 8.824,80 0.302,81 1.29,82 19.997,83 7.981,84 39.294,85 9.967,86 0.252,87 1.223,88 17.439,89 7.486,90 31.067,91 9.636,92 0.242,93 1.216,94 16.215,95 7.987,96 27.859,97 9.813,98 0.261,99 1.31,100 21.198,101 8.944,102 39.575,103 10.966,104 11,105 42,106 0.287,107 0.569,108 0.703,109 0.795,110 0.81,111 0.81,112 3.341,113 0.988,114 -4.92,115 -4.83,116 -4.53,119 48.8,124 1,142 10,143 3,144 2,145 2,146 1,152 1,161 1,172 10,175 4,178 1,180 2,183 9,188 8,193 5,196 5,200 8,205 4,208 6,213 1,216 1,218 2,221 14,224 1,225 1,233 18,237 1,238 3,241 1,246 12,250 4,258 4,263 4,275 1123,276 18.361,277 18.361,278 18.361,279 18.361,280 18.361,281 15.561,282 4.368,283 10.837,284 18.876,285 14.814,286 14.814,287 14.814,288 14.814,289 14.814,290 10.659,291 2.498,292 5.164,293 15.642,294 3.744,295 2.087,296 1.302,297 0.762,298 0.669,299 0.669,300 4.038,303 1,304 1,305 1,306 587,307 2.646,310 74.848,311 265.59,318 1.451,319 27.251,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 58,331 271,332 4.568,333 4.698,334 6.747,335 4.172,336 3.204,337 4.301,338 2.95,339 11.08,340 3.103,341 4.196,342 3.207,343 6.1,344 3.769,345 2.819,346 3.802,348 8.88,349 2.706,350 3.986,351 2.897,352 5.879,353 3.558,354 2.592,355 3.578,357 8.043,358 2.526,359 3.913,360 2.729,361 5.772,362 3.479,363 2.553,364 3.377,366 7.837,367 2.294,368 3.621,369 2.51,370 5.054,371 3.176,372 2.229,373 3.038,375 6.071,376 2.091,377 3.253,378 2.432,379 4.69,380 2.752,381 1.805,382 2.55,384 4.948,385 1.696,386 2.997,387 1.854,388 4.272,389 2.455,390 1.527,391 2.177,393 3.75,394 1.403,395 2.727,396 1.488,397 3.913,398 2.169,399 1.23,400 1.772,402 3.032,403 1.139,404 2.5,405 1.172,406 3.711,407 2,408 1,409 1.5,411 2.575,412 1,413 2.5,414 1,415 3.456,416 2,417 1,418 1.5,420 2.275,421 1,422 2.5,423 1,424 3.414,425 1.984,426 1,427 1.5,429 2.275,430 0.983,431 2.44,432 1,433 3.414,434 1.892,435 0.945,436 1.382,438 2.192,439 0.886,440 2.277,441 0.826,442 3.247,443 1.716,444 0.792,445 1.169,447 2.136,448 0.73,449 1.137,450 0.62,451 2.605,452 0.725,453 -0.188,454 -0.236,456 -0.422,457 -0.166,458 0.965,459 0.301,460 2.512,461 0.504,462 -0.453,463 -0.594,465 -1.096,466 -0.422,467 13.152,468 0.487,469 0.644,470 0.024,471 40.5,472 1.5,473 23.5,474 0.87,475 17,476 0.63,477 17.941,478 0.664,479 27.048,480 0.629,481 29.792,482 1.103,483 8.054,484 0.298,485 5.06,486 0.187,487 0.085,489 0.367,491 1,493 0.545,494 0.959,495 0.724,496 0.931,497 0.569,498 0.805,499 0.683,500 1.023,501 1.025,502 1.087,503 0.581,504 0.931,505 1.117,506 1.081,507 1.027,508 1.01,509 1.067,510 1.008,511 1.059,512 1.04,513 1.039,514 0.992,515 0.909,516 1.052,517 0.717,518 0.694,519 0.72,520 0.677,521 0.564,522 0.839,523 0.446,524 0.776,525 0.686,526 0.856,527 0.416,528 0.929,529 0.461,530 0.996,531 0.879,532 1.094,533 0.567,534 1.166,535 0.905,536 0.972,537 0.883,538 0.948,539 0.88,540 1.093,541 5,542 0.136,543 3.333,544 1.41,545 1.466,546 1.202,547 0.457,548 0.28,549 0.357,550 0.275,551 8549,552 27336,553 2.12,554 37.2,556 13,558 2,559 1,564 1.706,565 2,566 3.291,567 -0.346,569 1,574 72.336,575 1.682,576 3.339,577 4.125,578 4.665,579 4.758,580 4.758,581 2.75,582 4.236,583 4.72,584 3.463,585 1215.67,586 8.228,587 15393.9,589 1,591 1,592 233.329,593 1.352,594 4.694,595 0.167,596 0.008,597 0.079,598 0.034,599 0.038,600 0.032,601 0.012,602 0.008,603 0.012,604 0.013,605 0.402,606 0.17,607 1,608 0.704,609 132.502,610 0.018,611 -0.04,612 0.116,613 0.009,614 -0.084,615 0.039,616 -0.009,617 -0.086,618 -0.1,619 -0.115,620 0.026,621 -0.044,622 -0.151,623 -0.103,624 -0.141,625 -0.081,626 -0.09,627 -0.096,628 -0.175,629 -0.093,630 -0.202,631 -0.121,632 -0.112,633 -0.148,634 -0.066,635 0.122,636 0.04,637 0.143,638 -0.04,639 0.12,640 0.137,641 0.077,642 0.099,643 0.015,644 0.074,645 0.039,646 0.218,647 -0.104,648 -0.058,649 -0.179,650 0.091,651 -0.209,652 -0.055,653 -0.064,654 -0.005,655 -0.034,656 -0.053,657 -0.071,658 2.25,659 5.338,660 0.852,661 25.295,662 1.009,663 1.113,664 3.69,665 13.619,666 0.73,667 3.434,668 3.761,669 4.043,670 4.304,671 4.575,672 4.718,673 4.875,674 4.99,675 5.165,676 5.231,677 6.08,678 0.699,679 377.47,680 3.434,681 4.977,682 5.832,683 6.711,684 7.588,685 8.477,686 9.365,687 10.26,688 11.154,689 12.053,690 7,698 1,700 2,706 12,707 2,708 1,711 8,713 23,731 1,732 43,734 24,735 2,736 30,738 46,739 21,740 20,741 4,742 8,745 4,746 4,759 20,760 1,763 1,768 1,773 1,775 1,776 1,778 16,779 4,780 1,781 6,782 1,784 1,787 3,792 1,793 1,802 1,808 1,809 3,835 4,837 1,839 1,841 1,843 27,845 1,866 1,867 2.3,870 1,874 13.5,875 8.126,876 5.889,877 2.38,878 3.419,879 1.461,880 1.04,881 4.763,882 10.831,883 3.773,884 4.404,885 5.025,886 5.633,887 6.205,888 6.579,889 7.074,890 7.513,891 8.009,892 8.403,893 0.857,894 42,895 9.975,897 4.309,898 7.872,899 18.812,901 15.524,903 2.372,904 64.056,907 1,908 176.567,909 167.25,910 50.357,912 22.156,913 14.96,914 19.133,915 148.118,916 198.723,917 65.317,918 7.19,920 113.895,921 81.598,922 57.866,923 17.717,924 153.024,926 176.567,927 198.474,928 37.117,929 19.133,931 191.527,932 22.156,935 39.965,936 124.938,937 33.571,938 19.133,939 191.527,940 72.513,941 167.25,944 195.699,945 28.07,946 120.048,947 16.786,948 70.688,949 176.567,950 87.473,951 167.25,953 0.583,954 0.337,955 0.176,956 0.102,957 21,958 9,959 0.087,960 4,962 1,963 3.869,964 237.009,966 23,967 116.382,971 1,973 17.477,974 7.358,975 3.635,977 70.688,978 20.936,979 8.82,980 3.368,983 5.372,985 16.786,986 431.29,987 42.5,992 11.6,997 -1.028,998 43.407,999 47.87,1000 0.31,1001 0.615,1002 0.76,1003 0.86,1004 0.877,1005 0.877,1006 4.989,1007 1.23,1008 5.814,1009 3.75,1010 4.443,1011 5.091,1012 2.913,1013 6.624,1014 4.347,1015 6.21,1016 1,1017 7.372,1018 3.032,1019 4.007,1020 4.796,1022 7.529,1023 3.829,1024 7.516,1025 1,1026 9.031,1027 2.575,1028 6.033,1029 7.299,1030 5.027,1031 10.63,1032 5.859,1033 8.859,1034 1,1035 10.75,1036 2.275,1037 6.431,1038 7.837,1040 12.386,1041 6.185,1042 10.233,1043 0.945,1044 12.509,1045 2.275,1046 7.917,1047 9.773,1048 7.185,1049 15.002,1050 7.672,1051 11.63,1052 0.792,1053 14.294,1054 2.192,1055 8.694,1056 10.716,1058 17.109,1059 8.392,1060 13.044,1061 -0.188,1062 16.099,1063 2.136,1064 9.961,1065 12.395,1066 9.348,1067 19.567,1068 9.652,1069 3.204,1070 -0.453,1071 17.918,1072 -0.422,1073 10.922,1074 13.557,1076 21.832,1077 10.569,1078 2.819,1079 11.08,1080 19.749,1081 -1.096,1082 12.102,1083 15.108,1084 11.511,1085 24.24,1086 11.733,1087 2.592,1088 8.88,1089 21.589,1090 4.301,1091 13.154,1092 16.393,1094 26.576,1095 12.749,1096 2.553,1097 8.043,1098 23.437,1099 3.802,1100 14.303,1101 17.883,1102 13.675,1103 28.972,1104 13.876,1105 2.229,1106 7.837,1107 25.291,1108 3.578,1109 15.401,1110 19.238,1112 31.342,1113 14.942,1114 1.805,1115 6.071,1116 27.151,1117 3.377,1118 16.542,1119 20.7,1120 15.838,1121 33.738,1122 16.059,1123 1.527,1124 4.948,1125 29.017,1126 3.038,1127 17.665,1128 22.095,1130 36.124,1131 17.151,1132 8183,1133 14750,1134 20.285,1135 31.387,1136 46.121,1137 48.057,1138 46.538,1139 45.542,1140 45.393,1141 63.291,1142 5.9,1143 130.187,1144 43.112,1145 5.267,1146 6.698,1147 6.549,1148 5.207,1149 5.204,1150 7.301,1151 5.9,1152 18.235,1153 5.103,1154 12.043,1155 1.537,1156 1.602,1157 1.551,1158 1.518,1159 1.513,1160 2.11,1161 0.197,1162 4.34,1163 1.437,1164 4.093,1165 4.128,1166 4.34,1167 4.01,1168 8.201,1169 4.007,1170 3.902,1171 3.916,1172 4.036,1173 3.882,1174 7.398,1175 3.847,1176 3.833,1177 3.867,1178 3.785,1179 3.747,1180 5.032,1181 3.748,1182 3.636,1183 3.679,1184 3.708,1185 3.526,1186 4.839,1187 3.494,1188 3.381,1189 3.405,1190 3.463,1191 3.301,1192 4.641,1193 3.239,1194 2.895,1195 2.942,1196 2.853,1197 2.748,1198 4.503,1199 2.755,1200 2.854,1201 2.925,1202 2.687,1203 2.735,1204 3.792,1205 2.715,1206 2.854,1207 2.925,1208 2.687,1209 2.735,1210 3.716,1211 2.715,1212 0.152,1213 0.157,1214 0.225,1215 0.139,1216 0.107,1217 4.568,1218 0.143,1219 4.698,1220 0.098,1221 6.747,1222 0.369,1223 4.172,1224 0.103,1225 3.204,1226 4.301,1227 2.95,1228 11.08,1229 3.103,1230 1.93,1231 1.915,1232 2.012,1233 2.02,1234 1.154,1235 2.022,1236 1.925,1237 1.902,1238 1.992,1239 1.994,1240 1.117,1241 2.009,1242 1.814,1243 1.782,1244 1.921,1245 1.923,1246 0.975,1247 1.928,1248 1.429,1249 1.415,1250 1.552,1251 1.597,1252 0.766,1253 1.633,1254 1.267,1255 1.221,1256 1.409,1257 1.469,1258 0.462,1259 1.481,1260 1.149,1261 1.086,1262 1.259,1263 1.358,1264 0.336,1265 1.335,1266 0.886,1267 0.821,1268 1.181,1269 1.062,1270 0.218,1271 1.107,1272 0.886,1273 0.821,1274 1.181,1275 1.062,1276 0.218,1277 1.107,1278 4.111,1280 5.434,1281 2.398,1282 6.952,1283 4.727,1284 8.551,1285 6.862,1286 10.193,1288 1.649,1290 13.338,1305 30.037,1306 72.336,1307 143.581,1308 177.355,1309 200.574,1310 204.574,1311 204.574,1312 45.154,1313 7.412,1314 58.64,1315 77.85,1316 23,1317 12.577,1318 4.644,1319 3.755,1320 39.954,1321 97,1322 102,1323 0.203,1324 187.143,1325 316.15,1326 448.389,1327 14504,1328 2.3,1329 18.803,1330 0.696,1331 0.568,1332 18.221,1333 15.334,1334 13.114,1335 0.437,1336 0.329,1337 8.367,1338 12.075,1339 8.007,1340 6.652,1341 13.464,1342 9.876,1343 11.896,1344 0.283,1345 0.176,1346 12.132,1347 7.41,1348 10.047,1349 0.179,1350 0.093,1351 10.274,1352 5.186,1353 8.173,1354 0.112,1355 0.046,1356 8.451,1357 3.378,1358 6.78,1359 0.071,1360 0.024,1361 6.866,1362 2.284,1363 0.312,1364 88.885,1365 0.222,1366 25.663,1367 0.579,1368 144,1369 466.33,1370 180.557,1371 455.817,1372 618.46,1373 424,1374 170,1375 436.236,1376 204.305,1377 462.651,1378 666.94,1379 434,1380 5.1}
{0 CHEMBL101253,1 1.496,2 10.4,3 4.705,4 22.138,5 100.976,6 8.671,7 0.821,8 3.803,9 3.913,10 3.514,11 3.464,12 4.975,13 3.437,14 4.262,15 4.398,16 3.86,17 3.837,18 5.382,19 3.788,20 4.511,21 4.697,22 3.901,23 3.938,24 5.564,25 3.861,26 4.515,27 4.732,28 3.756,29 3.84,30 5.52,31 3.754,32 4.451,33 4.676,34 3.759,35 3.782,36 5.493,37 3.723,38 4.382,39 4.579,40 3.717,41 3.806,42 5.456,43 3.734,44 4.37,45 4.573,46 3.668,47 3.781,48 5.403,49 3.675,50 4.285,51 4.512,52 3.486,53 3.609,54 5.255,55 3.465,56 0.036,57 0.569,58 5.871,59 3.065,60 6.797,61 3.852,62 0.051,63 0.892,64 10.545,65 5.141,66 10.565,67 6.527,68 0.15,69 1.134,70 18.583,71 7.031,72 22.023,73 8.915,74 0.152,75 1.147,76 19.99,77 7.228,78 24.391,79 9.299,80 0.206,81 1.11,82 17.499,83 6.324,84 25.7,85 8.142,86 0.186,87 1.026,88 15.521,89 5.816,90 22.825,91 7.282,92 0.139,93 0.952,94 15.408,95 6.574,96 20.483,97 8.757,98 0.115,99 0.837,100 16.149,101 6.477,102 20.375,103 8.711,104 2,105 38,106 0.259,107 0.558,108 0.709,109 0.819,110 0.836,111 0.845,112 3.267,113 0.893,114 -5.43,115 -5.31,116 -4.96,119 50,121 1,142 10,143 3,144 2,145 2,146 1,147 1,166 1,172 11,175 5,178 1,180 3,183 14,188 7,191 1,193 4,196 10,200 10,205 2,208 8,213 8,218 3,221 13,224 1,225 3,230 1,233 13,237 1,238 3,243 2,246 11,250 3,258 8,263 1,266 1,271 8,275 911,276 17.361,277 17.361,278 17.361,279 17.361,280 17.361,281 14.555,282 18.364,283 10.512,284 17.698,285 13.875,286 13.875,287 13.875,288 13.875,289 13.875,290 9.836,291 28.435,292 5.06,293 14.462,294 3.826,295 2.106,296 1.23,297 0.6,298 0.5,299 0.45,300 3.972,301 1,304 1,305 1,306 572,307 2.345,311 266.179,315 101.355,318 1.856,319 13.492,321 1,322 0.75,323 1,324 1,325 0.6,327 1,328 1,329 0.76,330 52.333,331 260,332 4.596,333 3.258,334 6.707,335 4.135,336 3.153,337 4.543,338 0.68,339 10.902,340 3.096,341 4.03,342 2.961,343 5.8,344 3.622,345 2.659,346 3.625,347 0.4,348 8.069,349 2.567,350 3.92,351 2.823,352 5.423,353 3.508,354 2.531,355 3.467,357 7.166,358 2.46,359 3.64,360 2.533,361 5.255,362 3.188,363 2.251,364 3.075,366 6.536,367 2.109,368 3.404,369 2.184,370 4.905,371 2.943,372 2.007,373 2.76,375 5.669,376 1.851,377 3.274,378 1.907,379 4.658,380 2.783,381 1.831,382 2.591,384 4.855,385 1.673,386 2.887,387 1.516,388 3.792,389 2.382,390 1.44,391 2.053,393 3.102,394 1.355,395 2.777,396 1.288,397 3.598,398 2.267,399 1.281,400 1.913,402 2.852,403 1.26,404 2.5,405 1.076,406 3.562,407 2,408 1.013,409 1.5,411 2.575,412 1,413 2.5,414 1,415 3.414,416 1.994,417 1,418 1.5,420 2.275,421 0.99,422 2.465,423 1,424 3.247,425 1.984,426 1,427 1.449,429 2.136,430 0.983,431 1.729,432 0.741,433 3.101,434 1.405,435 0.449,436 0.552,438 1.119,439 0.42,440 1.313,441 0.426,442 2.764,443 0.935,444 0.02,445 0.025,447 0.048,448 0.016,449 1.014,450 -0.044,451 2.445,452 0.595,453 -0.34,454 -0.435,456 -0.814,457 -0.291,458 0.889,459 -0.429,460 2.304,461 0.391,462 -0.583,463 -0.833,465 -1.455,466 -0.561,467 12.314,468 0.493,469 0.465,470 0.019,471 38.25,472 1.53,473 22.5,474 0.9,475 15.75,476 0.63,477 15.877,478 0.635,479 24.286,480 0.607,481 25.535,482 1.021,483 7.668,484 0.307,485 4.625,486 0.185,487 0.058,489 0.284,493 0.647,494 1,495 0.571,496 0.8,497 0.649,498 0.771,499 0.742,500 1.154,501 0.711,502 0.975,503 0.732,504 0.954,505 1.087,506 1.111,507 1.012,508 1.045,509 1.037,510 1.035,511 1.127,512 1.198,513 0.96,514 1.059,515 1.031,516 1.042,517 1.034,518 1.003,519 0.653,520 0.784,521 0.874,522 0.81,523 1.183,524 0.863,525 0.903,526 0.846,527 1.108,528 0.925,529 0.58,530 0.996,531 0.789,532 1.07,533 0.729,534 1.098,535 0.655,536 1.086,537 0.906,538 1.158,539 0.779,540 1.175,541 4,542 0.029,543 2.222,544 1.188,545 1.24,546 0.542,547 0.405,548 0.302,549 0.2,550 0.117,551 7458,552 21561,553 2.179,554 37.5,556 10,558 2,559 1,560 2,564 1.681,565 2.113,566 3.346,567 -0.356,574 59.835,575 1.496,576 3.216,577 4.091,578 4.722,579 4.822,580 4.872,581 2.953,582 4.324,583 4.61,584 3.486,585 1045.76,586 7.983,587 12517.9,589 1,592 212.877,593 1.078,594 4.606,595 0.143,596 0.002,597 0.058,598 0.031,599 0.038,600 0.016,601 0.012,602 0.01,603 0.01,604 0.008,605 0.329,606 0.33,607 1,608 0.372,609 120.213,610 0.065,611 0.037,612 0.023,613 0.023,614 0.004,615 0.028,616 0.025,617 -0.141,618 -0.022,619 -0.113,620 -0.008,621 -0.107,622 -0.096,623 -0.099,624 -0.117,625 -0.119,626 -0.114,627 -0.118,628 -0.129,629 -0.181,630 -0.088,631 -0.115,632 -0.092,633 -0.086,634 -0.048,635 0.071,636 0.077,637 0.126,638 0.049,639 0.126,640 -0.21,641 0.2,642 -0.136,643 0.051,644 -0.184,645 -0.025,646 0.141,647 -0.049,648 0.001,649 -0.109,650 0.062,651 -0.117,652 0.138,653 -0.184,654 0.054,655 -0.132,656 0.083,657 -0.126,658 0.964,659 1.836,660 0.88,661 23.142,662 1.001,663 1.111,664 4.196,665 17.604,666 0.736,667 3.367,668 3.664,669 3.932,670 4.205,671 4.489,672 4.489,673 4.654,674 4.812,675 4.927,676 4.934,677 6.034,678 0.702,679 346.84,680 3.367,681 4.89,682 5.733,683 6.6,684 7.462,685 8.336,686 9.208,687 10.087,688 10.964,689 11.846,690 10,698 1,700 3,705 2,706 12,707 3,711 5,713 23,725 1,731 1,732 40,734 23,735 2,736 28,738 43,739 20,740 19,741 4,742 8,745 4,746 5,747 1,757 1,759 19,760 1,778 15,779 4,780 1,781 5,782 1,787 4,792 0.75,801 1,802 1,809 4,813 1,835 3,840 1,843 25,851 1,853 1,866 1,874 11.833,875 7.243,876 5.5,877 2.316,878 3.948,879 1.535,880 1.037,881 4.384,882 11.331,883 3.701,884 4.337,885 4.951,886 5.564,887 6.178,888 6.381,889 6.84,890 7.327,891 7.786,892 8.027,893 1,894 38,895 9.15,897 3.847,898 7.611,899 17.582,901 14.353,903 2.111,904 52.778,907 1,908 164.795,909 135.065,910 68.122,911 39.149,915 135.065,916 203.944,917 68.122,919 2.535,920 94.762,921 73.654,922 53.451,923 2.328,924 141.253,925 39.149,926 164.795,927 203.188,929 39.149,931 164.795,935 41.397,936 111.679,937 89.26,939 164.795,940 68.122,941 174.214,944 164.795,945 22.208,946 112.857,947 18.011,948 89.26,949 164.795,950 68.122,951 174.214,953 0.572,954 0.329,955 0.183,956 0.108,957 19,958 7,959 0.093,960 4,961 1,962 1.091,963 3.806,964 209.623,965 0.091,966 22,967 108.096,973 15.707,974 6.978,975 3.506,976 2.127,977 68.122,978 23.267,979 12.929,983 4.465,985 18.011,986 407.132,987 39.5,998 40.033,999 44.428,1000 0.281,1001 0.604,1002 0.769,1003 0.887,1004 0.906,1005 0.915,1006 4.896,1007 1.281,1008 5.687,1009 3.102,1010 4.344,1011 5.024,1012 0.809,1013 6.46,1014 4.269,1015 6.102,1016 1.013,1017 7.212,1018 2.852,1019 3.761,1020 4.691,1022 7.273,1023 3.613,1024 7.397,1025 1,1026 8.838,1027 2.575,1028 5.889,1029 7.267,1030 0.391,1031 10.395,1032 5.76,1033 8.73,1034 1,1035 10.528,1036 2.275,1037 6.155,1038 7.805,1040 12.104,1041 5.979,1042 10.095,1043 0.449,1044 12.262,1045 2.136,1046 7.713,1047 9.802,1048 0.187,1049 14.736,1050 7.545,1051 11.486,1052 0.02,1053 14.028,1054 1.119,1055 8.404,1056 10.798,1058 16.832,1059 8.209,1060 12.897,1061 -0.34,1062 15.817,1063 0.048,1064 9.711,1065 12.527,1066 0.089,1067 19.301,1068 9.512,1069 3.153,1070 -0.583,1071 17.626,1072 -0.814,1073 10.624,1074 13.773,1076 21.565,1077 10.407,1078 2.659,1079 10.902,1080 19.45,1081 -1.455,1082 11.821,1083 15.376,1084 0.042,1085 23.98,1086 11.595,1087 2.531,1088 8.069,1089 21.287,1090 4.543,1091 12.848,1092 16.755,1094 26.315,1095 12.606,1096 2.251,1097 7.166,1098 23.134,1099 3.625,1100 14.002,1101 18.301,1102 0.019,1103 28.712,1104 13.748,1105 2.007,1106 6.536,1107 24.99,1108 3.467,1109 15.085,1110 19.747,1112 31.076,1113 14.816,1114 1.831,1115 5.669,1116 26.854,1117 3.075,1118 16.224,1119 21.27,1120 0.009,1121 33.468,1122 15.942,1123 1.44,1124 4.855,1125 28.724,1126 2.76,1127 17.336,1128 22.75,1130 35.845,1131 17.039,1132 7000,1133 12027,1134 19.474,1135 29.449,1136 41.584,1137 41.973,1138 41.88,1139 41.449,1140 41.266,1141 58.109,1142 2.16,1143 114.607,1144 39.561,1145 5.378,1146 5.258,1147 6.509,1148 5.178,1149 5.153,1150 7.543,1151 1.36,1152 18.155,1153 5.096,1154 6.696,1155 1.485,1156 1.499,1157 1.496,1158 1.48,1159 1.474,1160 2.075,1161 0.077,1162 4.093,1163 1.413,1164 4.095,1165 4.126,1166 4.071,1167 4.02,1168 5.089,1169 4.025,1170 3.883,1171 3.913,1172 3.966,1173 3.826,1174 4.932,1175 3.818,1176 3.846,1177 3.882,1178 3.787,1179 3.757,1180 4.886,1181 3.758,1182 3.406,1183 3.47,1184 3.412,1185 3.24,1186 4.544,1187 3.253,1188 3.224,1189 3.285,1190 3.292,1191 3.077,1192 4.375,1193 3.085,1194 2.89,1195 2.946,1196 3.047,1197 2.785,1198 3.996,1199 2.771,1200 2.854,1201 2.925,1202 2.709,1203 2.735,1204 3.775,1205 2.715,1206 2.854,1207 2.925,1208 2.687,1209 2.735,1210 3.674,1211 2.715,1212 0.164,1213 0.116,1214 0.24,1215 0.148,1216 0.113,1217 4.596,1218 0.162,1219 3.258,1220 0.024,1221 6.707,1222 0.389,1223 4.135,1224 0.111,1225 3.153,1226 4.543,1227 0.68,1228 10.902,1229 3.096,1230 2.047,1231 2.023,1232 2.119,1233 2.141,1234 1.278,1235 2.135,1236 1.872,1237 1.847,1238 1.969,1239 1.966,1240 1.07,1241 1.974,1242 1.827,1243 1.793,1244 1.943,1245 1.929,1246 1.033,1247 1.939,1248 1.354,1249 1.298,1250 1.52,1251 1.553,1252 0.604,1253 1.544,1254 1.18,1255 1.127,1256 1.344,1257 1.376,1258 0.418,1259 1.378,1260 0.886,1261 0.821,1262 1.181,1263 1.062,1264 0.218,1265 1.107,1266 0.886,1267 0.821,1268 1.181,1269 1.062,1270 0.218,1271 1.107,1272 0.845,1273 0.803,1274 1.122,1275 1.044,1276 0.202,1277 1.066,1278 4.043,1280 5.342,1282 6.851,1284 8.455,1286 10.108,1289 5.947,1294 0.72,1296 3.323,1305 28.074,1306 59.835,1307 128.638,1308 163.658,1309 188.877,1310 192.877,1311 194.877,1312 28.938,1313 7.383,1314 50.7,1315 50.7,1316 24,1317 12.382,1318 4.585,1319 3.644,1320 35.852,1321 89,1322 97,1323 0.197,1324 176.352,1325 291.69,1326 422.06,1327 15672,1328 2.5,1329 17.062,1330 0.682,1331 0.564,1332 17.562,1333 14.111,1334 12.293,1335 0.439,1336 0.298,1337 7.92,1338 11.714,1339 7.714,1340 6.399,1341 12.582,1342 8.33,1343 10.811,1344 0.285,1345 0.162,1346 11.219,1347 6.141,1348 9.126,1349 0.183,1350 0.085,1351 9.415,1352 4.244,1353 7.644,1354 0.116,1355 0.044,1356 7.811,1357 2.872,1358 6.731,1359 0.076,1360 0.023,1361 6.967,1362 2.061,1363 0.306,1364 78.749,1365 0.227,1366 24.261,1367 0.551,1368 132,1369 355.472,1370 154.458,1371 388.218,1372 533.19,1373 364,1374 154,1375 381.691,1376 171.363,1377 400.645,1378 578.74,1379 378,1380 5.1}
{0 CHEMBL102858,1 1.265,2 13.517,3 7.289,4 53.132,5 120.627,6 5.767,7 0.2,8 4.273,9 4.412,10 3.592,11 3.763,12 5.163,13 3.685,14 4.889,15 5.108,16 3.901,17 4.167,18 5.694,19 4.047,20 5.223,21 5.478,22 4.088,23 4.39,24 6.016,25 4.247,26 5.351,27 5.616,28 4.161,29 4.47,30 6.193,31 4.329,32 5.384,33 5.633,34 4.061,35 4.471,36 6.325,37 4.312,38 5.337,39 5.624,40 3.906,41 4.417,42 6.074,43 4.215,44 5.273,45 5.572,46 3.715,47 4.305,48 5.992,49 4.078,50 5.212,51 5.531,52 3.457,53 4.138,54 5.893,55 3.891,56 0.084,57 0.919,58 17.63,59 7.388,60 10.311,61 10.387,62 0.326,63 1.488,64 31.295,65 11.907,66 29.688,67 17.271,68 0.555,69 1.925,70 42.757,71 15.686,72 45.97,73 22.928,74 0.415,75 2.122,76 48.169,77 17.186,78 55.222,79 25.253,80 0.683,81 2.108,82 50.37,83 17.624,84 101.575,85 25.471,86 0.409,87 2.033,88 45.847,89 17.44,90 50.925,91 25.485,92 0.315,93 1.854,94 42.391,95 16.108,96 46.804,97 23.642,98 0.421,99 1.61,100 39.332,101 14.044,102 52.323,103 20.764,104 54,105 39,106 0.203,107 0.445,108 0.682,109 0.778,110 0.83,111 0.862,112 3.407,113 1.163,114 -6.39,115 -6.22,116 -5.78,119 35.7,120 3,121 10,122 1,124 1,125 1,127 2,142 3,143 2,144 1,158 1,172 17,174 1,175 4,183 17,187 2,188 8,191 1,193 1,196 15,200 8,205 1,208 14,213 5,216 1,218 1,221 18,225 4,228 1,230 3,233 18,238 4,243 3,246 14,250 3,255 1,258 11,263 3,268 1,271 10,275 1555,276 19.466,277 19.466,278 19.466,279 19.466,280 19.466,281 18.636,282 15.893,283 12.023,284 19.681,285 14.712,286 14.712,287 14.712,288 14.712,289 14.712,290 13.328,291 17.671,292 5.621,293 15.076,294 4.864,295 3.357,296 1.879,297 1.286,298 0.957,299 0.757,300 4.075,305 1,306 795,307 4.062,311 73.574,313 105.363,317 157.03,318 2.05,319 24.78,322 0.75,323 0.67,324 0.67,325 0.9,326 1,327 0.67,328 0.5,329 0.74,330 61.5,331 392,332 4.416,333 3.901,334 6.842,335 4.172,336 3.211,337 3.975,338 2.473,339 11.21,340 3.084,341 4.021,342 3.208,343 6.211,344 3.762,345 2.768,346 3.238,347 0.841,348 9.102,349 2.745,350 3.584,351 2.873,352 5.482,353 3.416,354 2.474,355 2.862,356 0.297,357 7.276,358 2.349,359 3.486,360 2.63,361 5.268,362 3.25,363 2.271,364 2.541,366 6.67,367 2.188,368 2.935,369 2.299,370 4.77,371 2.894,372 1.894,373 2.019,375 4.758,376 1.893,377 2.912,378 1.949,379 4.546,380 2.765,381 1.779,382 1.91,384 4.246,385 1.747,386 2.886,387 1.896,388 3.933,389 2.624,390 1.63,391 1.888,393 3.78,394 1.618,395 2.628,396 1.613,397 3.892,398 2.573,399 1.583,400 1.629,402 3.175,403 1.553,404 2.309,405 1.232,406 3.617,407 2.196,408 1.197,409 1.26,411 2.66,412 1.196,413 2.226,414 1.2,415 3.251,416 1.982,417 1.008,418 1.221,420 2.295,421 0.977,422 1.766,423 1.159,424 3.131,425 1.715,426 0.717,427 0.74,429 1.369,430 0.715,431 1.513,432 0.82,433 2.855,434 1.374,435 0.435,436 0.455,438 0.809,439 0.399,440 1.353,441 0.635,442 2.723,443 1.194,444 0.287,445 0.3,447 0.532,448 0.26,449 1.139,450 0.569,451 2.457,452 1.069,453 0.087,454 0.09,456 0.17,457 0.085,458 1.021,459 0.213,460 2.338,461 0.764,462 -0.228,463 -0.25,465 -0.481,466 -0.222,467 13.9,468 0.479,469 0.613,470 0.021,471 24.75,472 0.853,473 8,474 0.276,475 16.75,476 0.578,477 37.55,478 1.295,479 35.3,480 0.504,481 17.073,482 0.589,483 3.781,484 0.13,485 10.191,486 0.351,487 0.192,489 0.281,493 0.827,494 1.468,495 1.093,496 1.366,497 0.765,498 1.273,499 0.83,500 1.224,501 1.049,502 1.163,503 0.633,504 1.129,505 0.84,506 1.077,507 0.954,508 1.025,509 0.714,510 1.005,511 1.067,512 1.044,513 0.956,514 1.017,515 0.972,516 0.973,517 1.611,518 1.045,519 1.229,520 1.053,521 1.67,522 1.096,523 0.729,524 1.052,525 0.995,526 1.075,527 0.763,528 1.064,529 0.674,530 1.11,531 1,532 1.133,533 0.742,534 1.105,535 1.08,536 0.867,537 0.988,538 0.887,539 1.198,540 0.925,541 5,542 0.124,543 2.444,544 2.313,545 1.533,546 1.181,547 0.772,548 0.354,549 0.189,550 0.151,551 10110,552 18154,553 1.938,554 58.6,555 27,556 10,559 1,561 3,564 1.717,565 1.794,566 3.577,567 -0.439,574 88.539,575 1.265,576 2.772,577 4.25,578 4.843,579 5.172,580 5.372,581 3.073,582 4.72,583 4.814,584 3.817,585 1549.58,586 8.382,587 21709.3,592 429.05,593 1.475,594 4.773,595 0.167,596 0.007,597 0.063,598 0.05,599 0.031,600 0.028,601 0.021,602 0.013,603 0.009,604 0.008,605 0.396,606 0.33,607 0.75,608 2.317,609 149.534,610 -0.003,611 -0.101,612 0.03,613 -0.038,614 -0.046,615 -0.007,616 0.103,617 -0.042,618 0.011,619 -0.028,620 0.062,621 -0.019,622 0.17,623 0.002,624 0.074,625 0.026,626 0.052,627 0.035,628 -0.005,629 0.012,630 0.07,631 0.002,632 0.056,633 0.042,634 -0.108,635 -0.019,636 -0.155,637 -0.039,638 -0.028,639 -0.094,640 0.028,641 -0.043,642 -0.032,643 -0.062,644 0.028,645 -0.055,646 0.014,647 -0.131,648 -0.059,649 -0.138,650 0.038,651 -0.109,652 -0.083,653 0.028,654 -0.039,655 0.028,656 -0.104,657 0.003,658 1.902,659 5.646,660 0.414,661 35.486,662 0.982,663 1.135,664 5.16,665 26.625,666 0.609,667 3.434,668 3.689,669 3.912,670 4.143,671 4.304,672 4.454,673 4.595,674 4.635,675 4.644,676 4.585,677 7.529,678 0.553,679 403.67,680 3.434,681 4.934,682 5.753,683 6.608,684 7.454,685 8.326,686 9.188,687 10.07,688 10.941,689 11.83,690 1.4,696 1,706 3,711 3,713 6,727 1,732 70,734 7,735 1,736 30,738 71,739 25,740 6,741 3,742 3,745 2,746 3,751 4,754 3,757 12,759 7,760 18,761 1,763 1,768 1,772 1,778 41,779 4,780 1,781 4,787 1,792 0.5,793 3,794 1,809 1,811 1,815 1,825 1,833 1,835 1,839 4,843 29,850 1,851 11,854 1,856 3,857 1,867 4.3,868 1,870 1,872 1,874 16.167,875 13.233,876 6.806,877 5.007,878 1.296,879 1.181,880 0.888,881 10.342,882 8.465,883 3.555,884 3.961,885 4.373,886 4.831,887 5.262,888 5.473,889 5.748,890 5.932,891 6.102,892 6.12,893 0.889,894 46,895 10.882,897 4.425,898 7.557,899 21.656,901 17.689,903 2.057,904 59.667,908 470.844,909 104.965,910 3.124,912 78.828,915 104.965,916 549.672,917 3.124,918 34.872,919 25.345,920 71.112,921 32.336,922 23.252,924 470.844,926 470.844,927 108.09,928 78.828,931 435.531,932 71.458,933 42.683,935 51.821,936 56.269,939 470.844,940 81.952,941 104.965,944 470.844,945 41.665,946 66.425,948 78.828,949 470.844,950 81.952,951 104.965,953 0.556,954 0.321,955 0.174,956 0.089,957 14,958 8,959 0.155,960 11,961 1,962 1.167,963 3.96,964 234.486,965 0.167,966 12,967 138.881,973 24.052,974 12.469,975 7.203,977 81.952,978 6.611,983 3.582,985 42.683,986 657.762,987 34,992 12.646,996 -0.235,998 68.756,999 79.431,1000 0.206,1001 0.452,1002 0.693,1003 0.79,1004 0.844,1005 0.876,1006 4.783,1007 1.583,1008 5.714,1009 3.78,1010 4.369,1011 4.644,1012 2.529,1013 6.497,1014 4.318,1015 5.906,1016 1.197,1017 7.256,1018 3.175,1019 3.892,1020 4.35,1021 2.283,1022 7.405,1023 3.801,1024 7.167,1025 1.008,1026 8.91,1027 2.66,1028 5.916,1029 6.588,1030 3.911,1031 10.534,1032 5.803,1033 8.464,1034 0.717,1035 10.631,1036 2.295,1037 6.293,1038 7.144,1039 4.328,1040 12.314,1041 6.128,1042 9.801,1043 0.435,1044 12.398,1045 1.369,1046 7.771,1047 8.897,1048 5.562,1049 14.969,1050 7.588,1051 11.164,1052 0.287,1053 14.196,1054 0.809,1055 8.558,1056 9.844,1057 6.245,1058 17.104,1059 8.322,1060 12.548,1061 0.087,1062 16.018,1063 0.532,1064 9.822,1065 11.407,1066 7.305,1067 19.599,1068 9.562,1069 3.211,1070 -0.228,1071 17.858,1072 0.17,1073 10.805,1074 12.547,1075 8.104,1076 21.886,1077 10.495,1078 2.768,1079 11.21,1080 19.711,1081 -0.481,1082 11.987,1083 14.022,1084 9.084,1085 24.324,1086 11.648,1087 2.474,1088 9.102,1089 21.575,1090 3.975,1091 13.061,1092 15.266,1093 9.938,1094 26.678,1095 12.674,1096 2.271,1097 7.276,1098 23.449,1099 3.238,1100 14.218,1101 16.697,1102 10.88,1103 29.097,1104 13.795,1105 1.894,1106 6.67,1107 25.329,1108 2.862,1109 15.334,1110 17.997,1111 11.76,1112 31.482,1113 14.866,1114 1.779,1115 4.758,1116 27.215,1117 2.541,1118 16.485,1119 19.405,1120 12.683,1121 33.895,1122 15.978,1123 1.63,1124 4.246,1125 29.106,1126 2.019,1127 17.622,1128 20.738,1129 13.576,1130 36.295,1131 17.071,1132 10417,1133 14260,1134 19.186,1135 42.597,1136 42.619,1137 44.297,1138 45.443,1139 42.624,1140 42.683,1141 48.257,1142 7.222,1143 116.103,1144 41.619,1145 5.381,1146 5.901,1147 6.818,1148 5.262,1149 5.211,1150 6.975,1151 4.215,1152 18.662,1153 5.084,1154 17.461,1155 1.421,1156 1.477,1157 1.515,1158 1.421,1159 1.423,1160 1.609,1161 0.241,1162 3.87,1163 1.387,1164 4.025,1165 4.058,1166 3.961,1167 3.942,1168 7.432,1169 3.941,1170 3.797,1171 3.859,1172 3.663,1173 3.676,1174 6.456,1175 3.657,1176 3.747,1177 3.794,1178 3.616,1179 3.617,1180 4.734,1181 3.614,1182 3.631,1183 3.696,1184 3.47,1185 3.503,1186 4.385,1187 3.484,1188 3.564,1189 3.613,1190 3.412,1191 3.394,1192 4.231,1193 3.39,1194 3.394,1195 3.474,1196 3.202,1197 3.231,1198 4.216,1199 3.214,1200 3.308,1201 3.394,1202 3.126,1203 3.091,1204 4.083,1205 3.088,1206 3.155,1207 3.224,1208 3.002,1209 2.972,1210 3.988,1211 2.96,1212 0.147,1213 0.13,1214 0.228,1215 0.139,1216 0.107,1217 4.416,1218 0.132,1219 3.901,1220 0.082,1221 6.842,1222 0.374,1223 4.172,1224 0.103,1225 3.211,1226 3.975,1227 2.473,1228 11.21,1229 3.084,1230 1.98,1231 1.952,1232 2.106,1233 2.088,1234 1.432,1235 2.092,1236 1.81,1237 1.75,1238 2.05,1239 1.967,1240 1.346,1241 2,1242 1.734,1243 1.683,1244 1.966,1245 1.894,1246 1.272,1247 1.92,1248 1.655,1249 1.592,1250 1.917,1251 1.822,1252 1.201,1253 1.858,1254 1.541,1255 1.491,1256 1.792,1257 1.75,1258 1.087,1259 1.761,1260 1.408,1261 1.336,1262 1.699,1263 1.621,1264 0.935,1265 1.655,1266 1.296,1267 1.209,1268 1.624,1269 1.549,1270 0.774,1271 1.58,1272 1.162,1273 1.086,1274 1.505,1275 1.387,1276 0.69,1277 1.431,1278 4.111,1280 5.38,1282 6.836,1284 8.397,1286 10.024,1288 8.337,1293 9.64,1294 12.101,1297 5.568,1299 -0.662,1300 2.077,1305 38.702,1306 88.539,1307 194.035,1308 297.501,1309 339.011,1310 362.03,1311 376.03,1312 86.019,1313 7.169,1314 49.77,1315 49.77,1316 14,1317 12.364,1318 3,1319 2.322,1320 65.922,1321 125,1322 186,1323 0.253,1324 242.866,1325 432.25,1326 584.352,1327 12225,1329 21.225,1330 0.732,1331 0.654,1332 21.225,1333 18.953,1334 13.973,1335 0.466,1336 0.388,1337 11.538,1338 13.606,1339 11.121,1340 9.407,1341 13.973,1342 11.635,1343 11.77,1344 0.302,1345 0.229,1346 11.77,1347 8.933,1348 9.251,1349 0.189,1350 0.124,1351 9.251,1352 6.073,1353 7.733,1354 0.125,1355 0.071,1356 7.733,1357 4.379,1358 5.532,1359 0.076,1360 0.038,1361 5.532,1362 2.794,1363 0.405,1364 86.56,1365 0.228,1366 28.014,1367 0.671,1368 138,1369 323.266,1370 148.386,1371 306.976,1372 413.15,1373 288,1374 157,1375 292.332,1376 167.86,1377 296.138,1378 433.38,1379 278,1380 5.627}
{0 CHEMBL102991,1 1.265,2 13.241,3 7.219,4 52.118,5 120.257,6 5.767,7 0.2,8 4.273,9 4.412,10 3.592,11 3.763,12 5.157,13 3.685,14 4.889,15 5.106,16 3.889,17 4.161,18 5.694,19 4.037,20 5.239,21 5.504,22 4.072,23 4.37,24 6.006,25 4.225,26 5.34,27 5.606,28 4.172,29 4.459,30 6.155,31 4.326,32 5.399,33 5.64,34 4.153,35 4.516,36 6.335,37 4.37,38 5.437,39 5.713,40 4.023,41 4.515,42 6.216,43 4.322,44 5.414,45 5.716,46 3.757,47 4.399,48 6.142,49 4.162,50 5.296,51 5.63,52 3.461,53 4.178,54 5.94,55 3.917,56 0.084,57 0.919,58 17.63,59 7.388,60 10.003,61 10.387,62 0.321,63 1.49,64 31.349,65 11.856,66 29.782,67 17.254,68 0.578,69 1.925,70 43.235,71 15.348,72 46.157,73 22.724,74 0.432,75 2.105,76 47.813,77 16.726,78 48.82,79 24.725,80 0.667,81 2.181,82 51.49,83 18.209,84 95.342,85 26.213,86 0.487,87 2.239,88 51.3,89 19.167,90 61.49,91 27.9,92 0.427,93 2.068,94 48.768,95 18.012,96 60.448,97 26.482,98 0.45,99 1.706,100 42.156,101 14.978,102 55.277,103 22.273,104 44,105 38,106 0.203,107 0.444,108 0.66,109 0.757,110 0.814,111 0.856,112 3.408,113 1.174,114 -6.39,115 -6.22,116 -5.78,119 35.7,120 3,121 10,122 1,125 2,127 2,142 4,143 1,144 1,158 1,172 16,174 1,175 5,183 14,187 2,188 9,191 1,193 1,196 11,200 8,205 1,208 12,213 7,216 1,218 1,221 20,225 6,228 1,230 3,233 20,238 4,243 3,246 14,250 3,255 1,258 11,263 3,268 1,271 10,275 1656,276 19.725,277 19.725,278 19.725,279 19.725,280 19.725,281 18.868,282 13.836,283 12.427,284 19.941,285 14.749,286 14.749,287 14.749,288 14.749,289 14.749,290 13.427,291 16.051,292 5.816,293 15.131,294 4.864,295 3.363,296 2.018,297 1.417,298 1.061,299 0.797,300 4.078,305 1,306 781,307 4.123,311 74.363,313 102.443,317 154.5,318 1.681,319 25.28,322 0.75,323 0.67,324 0.67,325 0.9,326 1,327 0.67,328 0.5,329 0.74,330 61.5,331 384,332 4.4,333 3.906,334 6.894,335 4.181,336 3.223,337 3.892,338 2.473,339 11.503,340 3.084,341 3.974,342 3.203,343 6.188,344 3.705,345 2.711,346 3.202,347 0.841,348 8.985,349 2.691,350 3.525,351 2.885,352 5.51,353 3.399,354 2.473,355 2.571,356 0.297,357 7.334,358 2.277,359 3.064,360 2.367,361 4.883,362 2.944,363 1.952,364 2.204,366 5.116,367 1.938,368 2.949,369 2.05,370 4.564,371 2.839,372 1.856,373 1.993,375 4.33,376 1.819,377 2.913,378 1.908,379 4.058,380 2.717,381 1.715,382 1.924,384 3.826,385 1.706,386 2.794,387 1.688,388 3.906,389 2.629,390 1.636,391 1.838,393 3.431,394 1.617,395 2.712,396 1.535,397 3.676,398 2.401,399 1.408,400 1.724,402 3.176,403 1.396,404 2.485,405 1.37,406 3.589,407 2.343,408 1.348,409 1.482,411 2.814,412 1.341,413 2.226,414 1.21,415 3.346,416 2.066,417 1.079,418 1.206,420 2.353,421 1.063,422 1.841,423 1.163,424 3.092,425 1.789,426 0.801,427 0.825,429 1.562,430 0.789,431 1.477,432 0.927,433 2.883,434 1.381,435 0.436,436 0.443,438 0.767,439 0.402,440 1.4,441 0.628,442 2.74,443 1.272,444 0.331,445 0.346,447 0.592,448 0.311,449 1.264,450 0.52,451 2.446,452 1.097,453 0.155,454 0.166,456 0.345,457 0.146,458 1.015,459 0.296,460 2.354,461 0.858,462 -0.13,463 -0.136,465 -0.242,466 -0.127,467 13.9,468 0.479,469 0.507,470 0.017,471 24.75,472 0.853,473 8,474 0.276,475 16.75,476 0.578,477 37.735,478 1.301,479 35.3,480 0.504,481 16.598,482 0.572,483 3.753,484 0.129,485 10.326,486 0.356,487 0.156,489 0.245,493 0.827,494 1.468,495 1.093,496 1.366,497 0.754,498 1.273,499 0.825,500 1.314,501 1.085,502 1.232,503 0.639,504 1.188,505 0.868,506 1.041,507 0.928,508 0.971,509 0.696,510 0.955,511 1.124,512 0.994,513 0.946,514 0.964,515 0.99,516 0.928,517 1.563,518 1.069,519 1.201,520 1.074,521 1.61,522 1.097,523 0.932,524 1.091,525 1.066,526 1.115,527 0.953,528 1.107,529 0.884,530 1.075,531 1.052,532 1.101,533 0.953,534 1.097,535 0.987,536 0.792,537 0.903,538 0.81,539 1.094,540 0.845,541 4,542 0.107,543 2.222,544 2.25,545 1.462,546 1.201,547 0.69,548 0.323,549 0.164,550 0.131,551 9830,552 17634,553 1.957,554 58.6,555 25,556 10,559 1,561 5,564 1.72,565 1.832,566 3.492,567 -0.439,574 88.539,575 1.265,576 2.766,577 4.112,578 4.712,579 5.069,580 5.333,581 2.957,582 4.513,583 4.813,584 3.751,585 1523.03,586 8.398,587 21078.5,592 429.05,593 1.384,594 4.785,595 0.133,596 0.006,597 0.058,598 0.05,599 0.029,600 0.026,601 0.017,602 0.012,603 0.008,604 0.007,605 0.345,606 0.33,607 0.75,608 2.451,609 148.612,610 -0.003,611 -0.101,612 0.03,613 -0.038,614 -0.038,615 -0.007,616 0.107,617 -0.128,618 -0.024,619 -0.093,620 0.057,621 -0.076,622 0.168,623 0.021,624 0.097,625 0.048,626 0.058,627 0.06,628 -0.016,629 0.068,630 0.09,631 0.044,632 0.041,633 0.078,634 -0.082,635 -0.021,636 -0.12,637 -0.039,638 0.004,639 -0.078,640 -0.008,641 -0.076,642 -0.077,643 -0.097,644 0.01,645 -0.095,646 -0.035,647 -0.124,648 -0.1,649 -0.132,650 -0.015,651 -0.124,652 -0.055,653 0.071,654 0.024,655 0.078,656 -0.077,657 0.061,658 1.871,659 5.883,660 0.414,661 33.37,662 0.982,663 1.135,664 5.16,665 26.625,666 0.609,667 3.434,668 3.664,669 3.892,670 4.143,671 4.317,672 4.431,673 4.533,674 4.564,675 4.522,676 4.419,677 7.236,678 0.553,679 403.67,680 3.434,681 4.92,682 5.733,683 6.583,684 7.43,685 8.299,686 9.162,687 10.043,688 10.915,689 11.802,690 1.4,696 1,706 4,711 2,713 6,727 1,732 70,734 7,735 1,736 30,738 71,739 25,740 6,741 2,742 4,745 2,746 3,751 4,754 3,757 12,759 7,760 18,761 1,763 1,768 1,772 1,778 41,779 4,780 1,781 4,787 1,792 0.5,793 3,794 1,809 1,811 1,815 1,825 1,833 1,835 1,839 3,843 29,850 1,851 12,854 1,856 3,857 1,867 4.3,868 1,870 1,872 1,874 15.833,875 12.817,876 6.889,877 5.088,878 1.268,879 1.179,880 0.888,881 10.912,882 8.348,883 3.555,884 3.922,885 4.314,886 4.761,887 5.159,888 5.283,889 5.533,890 5.738,891 5.844,892 5.84,893 0.889,894 45,895 10.892,897 4.424,898 7.552,899 21.697,901 17.706,903 2.052,904 59.5,908 470.844,909 104.965,910 3.124,912 78.828,915 104.965,916 549.672,917 3.124,918 26.476,919 27.451,920 80.588,921 32.336,922 20.067,924 470.844,926 470.844,927 108.09,928 78.828,931 411.989,932 95,933 42.683,935 53.927,936 54.163,939 470.844,940 81.952,941 104.965,944 470.844,945 40.585,946 67.505,948 78.828,949 470.844,950 81.952,951 104.965,953 0.547,954 0.315,955 0.178,956 0.097,957 13,958 7,959 0.169,960 12,961 1,962 1.167,963 3.954,964 235.187,965 0.167,966 12,967 138.881,973 24.052,974 13.156,975 7.514,977 81.952,978 8.279,983 2.279,985 42.683,986 657.762,987 34,992 12.883,996 -0.204,998 68.756,999 79.431,1000 0.206,1001 0.451,1002 0.671,1003 0.769,1004 0.827,1005 0.87,1006 4.766,1007 1.408,1008 5.673,1009 3.431,1010 4.344,1011 4.605,1012 2.529,1013 6.447,1014 4.289,1015 5.864,1016 1.348,1017 7.203,1018 3.176,1019 3.761,1020 4.159,1021 2.283,1022 7.365,1023 3.657,1024 7.107,1025 1.079,1026 8.85,1027 2.814,1028 5.866,1029 6.487,1030 3.911,1031 10.521,1032 5.738,1033 8.387,1034 0.801,1035 10.574,1036 2.353,1037 6.196,1038 6.942,1039 4.328,1040 12.364,1041 6.004,1042 9.711,1043 0.436,1044 12.348,1045 1.562,1046 7.718,1047 8.751,1048 5.562,1049 15.032,1050 7.506,1051 11.066,1052 0.331,1053 14.159,1054 0.767,1055 8.494,1056 9.635,1057 6.245,1058 17.228,1059 8.221,1060 12.445,1061 0.155,1062 15.995,1063 0.592,1064 9.781,1065 11.228,1066 7.305,1067 19.739,1068 9.481,1069 3.223,1070 -0.13,1071 17.849,1072 0.345,1073 10.768,1074 12.322,1075 8.104,1076 22.075,1077 10.412,1078 2.711,1079 11.503,1080 19.717,1081 -0.242,1082 11.965,1083 13.811,1084 9.084,1085 24.534,1086 11.576,1087 2.473,1088 8.985,1089 21.595,1090 3.892,1091 13.047,1092 15.015,1093 9.938,1094 26.928,1095 12.606,1096 1.952,1097 7.334,1098 23.482,1099 3.202,1100 14.213,1101 16.449,1102 10.88,1103 29.372,1104 13.734,1105 1.856,1106 5.116,1107 25.375,1108 2.571,1109 15.338,1110 17.715,1111 11.76,1112 31.792,1113 14.809,1114 1.715,1115 4.33,1116 27.273,1117 2.204,1118 16.497,1119 19.117,1120 12.683,1121 34.231,1122 15.926,1123 1.636,1124 3.826,1125 29.176,1126 1.993,1127 17.642,1128 20.419,1129 13.576,1130 36.662,1131 17.023,1132 10114,1133 13835,1134 19.474,1135 42.597,1136 42.314,1137 43.768,1138 44.792,1139 42.179,1140 42.248,1141 47.632,1142 7.222,1143 112.265,1144 41.158,1145 5.379,1146 5.906,1147 6.874,1148 5.271,1149 5.223,1150 6.892,1151 4.215,1152 18.95,1153 5.084,1154 15.928,1155 1.41,1156 1.459,1157 1.493,1158 1.406,1159 1.408,1160 1.588,1161 0.241,1162 3.742,1163 1.372,1164 4.011,1165 4.047,1166 3.945,1167 3.914,1168 7.432,1169 3.916,1170 3.806,1171 3.868,1172 3.652,1173 3.694,1174 6.456,1175 3.675,1176 3.725,1177 3.774,1178 3.612,1179 3.602,1180 4.751,1181 3.595,1182 3.659,1183 3.724,1184 3.493,1185 3.525,1186 4.388,1187 3.505,1188 3.57,1189 3.612,1190 3.428,1191 3.387,1192 4.253,1193 3.391,1194 3.467,1195 3.547,1196 3.266,1197 3.318,1198 4.198,1199 3.294,1200 3.274,1201 3.356,1202 3.098,1203 3.082,1204 4.108,1205 3.068,1206 3.169,1207 3.219,1208 3.001,1209 2.938,1210 3.958,1211 2.946,1212 0.147,1213 0.13,1214 0.23,1215 0.139,1216 0.107,1217 4.4,1218 0.13,1219 3.906,1220 0.082,1221 6.894,1222 0.383,1223 4.181,1224 0.103,1225 3.223,1226 3.892,1227 2.473,1228 11.503,1229 3.084,1230 1.958,1231 1.929,1232 2.089,1233 2.081,1234 1.435,1235 2.083,1236 1.818,1237 1.758,1238 2.057,1239 1.969,1240 1.349,1241 2.005,1242 1.729,1243 1.677,1244 1.965,1245 1.879,1246 1.275,1247 1.91,1248 1.679,1249 1.616,1250 1.94,1251 1.849,1252 1.201,1253 1.883,1254 1.528,1255 1.485,1256 1.806,1257 1.75,1258 1.1,1259 1.754,1260 1.496,1261 1.421,1262 1.747,1263 1.69,1264 0.951,1265 1.727,1266 1.279,1267 1.195,1268 1.611,1269 1.51,1270 0.864,1271 1.547,1272 1.118,1273 1.061,1274 1.421,1275 1.39,1276 0.645,1277 1.393,1278 4.111,1280 5.361,1282 6.804,1284 8.355,1286 9.979,1288 6.411,1293 9.643,1294 12.905,1297 5.663,1299 -0.62,1300 2.261,1305 38.702,1306 88.539,1307 193.648,1308 287.81,1309 329.873,1310 354.811,1311 373.275,1312 86.137,1313 7.08,1314 49.77,1315 49.77,1316 14,1317 12.337,1318 3,1319 2.322,1320 65.69,1321 116,1322 187,1323 0.263,1324 242.866,1325 432.25,1326 584.352,1327 11150,1329 21.062,1330 0.726,1331 0.646,1332 21.062,1333 18.738,1334 14.079,1335 0.469,1336 0.391,1337 11.647,1338 13.72,1339 11.292,1340 9.529,1341 14.079,1342 11.739,1343 11.534,1344 0.304,1345 0.231,1346 11.534,1347 8.785,1348 8.999,1349 0.187,1350 0.124,1351 8.999,1352 5.946,1353 7.589,1354 0.122,1355 0.07,1356 7.589,1357 4.348,1358 5.766,1359 0.078,1360 0.04,1361 5.766,1362 2.969,1363 0.417,1364 87.112,1365 0.227,1366 27.861,1367 0.709,1368 136,1369 319.266,1370 146.719,1371 302.058,1372 406.8,1373 284,1374 154,1375 287.684,1376 165.194,1377 288.8,1378 424.46,1379 273,1380 5.395}
{0 CHEMBL103055,1 1.512,2 11.079,3 3.606,4 13.005,5 147.107,6 7.324,7 0.465,8 4.357,9 4.471,10 3.923,11 3.884,12 5.393,13 3.871,14 4.938,15 5.109,16 4.289,17 4.304,18 5.945,19 4.273,20 5.18,21 5.381,22 4.393,23 4.489,24 6.145,25 4.427,26 5.29,27 5.485,28 4.491,29 4.606,30 6.305,31 4.529,32 5.479,33 5.709,34 4.567,35 4.635,36 6.458,37 4.569,38 5.452,39 5.658,40 4.599,41 4.659,42 6.505,43 4.601,44 5.498,45 5.704,46 4.572,47 4.699,48 6.522,49 4.621,50 5.566,51 5.803,52 4.529,53 4.682,54 6.556,55 4.59,56 0.016,57 1.023,58 14.691,59 6.46,60 8.072,61 8.434,62 0.422,63 1.708,64 29.686,65 10.597,66 34.403,67 14.176,68 0.631,69 2.068,70 39.326,71 14.406,72 41.527,73 19.508,74 0.258,75 2.331,76 42.247,77 17.306,78 60.357,79 23.617,80 0.72,81 2.64,82 55.597,83 19.117,84 72.322,85 26.219,86 0.846,87 2.592,88 53.132,89 18.621,90 82.394,91 24.815,92 0.533,93 2.75,94 54.609,95 19.839,96 86.686,97 26.718,98 1.092,99 2.848,100 61.739,101 20.264,102 125.608,103 28.156,104 11,105 61,106 0.234,107 0.535,108 0.661,109 0.739,110 0.766,111 0.766,112 3.669,113 0.928,114 -3.12,115 -3.12,116 -3,119 42.9,120 1,125 9,136 2,142 8,143 4,151 2,152 2,158 2,172 13,175 9,178 2,180 2,183 14,187 4,188 10,193 2,196 13,199 1,200 8,205 2,208 10,212 2,213 14,216 2,218 2,221 9,224 5,225 14,230 4,233 8,237 1,238 12,243 2,246 7,249 2,250 16,253 2,258 6,262 4,263 10,271 6,275 1936,276 26.474,277 26.474,278 26.474,279 26.474,280 26.474,281 23.808,282 24.689,283 15.775,284 27.146,285 21.23,286 21.23,287 21.23,288 21.23,289 21.23,290 16.921,291 23.529,292 7.438,293 22.193,294 4.617,295 2.672,296 1.857,297 1.354,298 1.182,299 1.182,300 4.388,305 1,306 938,307 2.739,310 118.901,311 102.686,314 148.261,318 0.938,319 36.888,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 82,331 421,332 4.825,333 3.839,334 7.187,335 4.421,336 3.428,337 4.714,338 1.2,339 12.66,340 3.405,341 4.638,342 3.32,343 6.82,344 4.167,345 3.194,346 4.601,347 0.86,348 11.316,349 3.111,350 4.357,351 3.216,352 6.535,353 3.916,354 2.94,355 3.942,356 0.86,357 10.242,358 2.865,359 3.593,360 3.154,361 5.877,362 3.389,363 2.475,364 2.917,365 0.8,366 7.838,367 2.26,368 3.483,369 2.838,370 5.457,371 3.256,372 2.273,373 2.793,374 0.8,375 6.804,376 2.238,377 3.455,378 2.497,379 5.303,380 3.072,381 2.116,382 2.722,384 6.656,385 2.018,386 3.391,387 2.422,388 5.22,389 2.985,390 2.014,391 2.627,393 5.943,394 1.939,395 3.332,396 2.264,397 4.961,398 2.899,399 1.913,400 2.473,402 5.476,403 1.876,404 3.149,405 2.133,406 4.752,407 2.678,408 1.66,409 2.307,411 4.662,412 1.685,413 2.844,414 1.987,415 4.394,416 2.546,417 1.648,418 1.923,420 3.666,421 1.462,422 2.759,423 1.906,424 3.86,425 2.443,426 1.554,427 1.821,429 3.47,430 1.379,431 2.7,432 1.452,433 3.757,434 2.322,435 1.328,436 1.733,438 3.24,439 1.314,440 2.648,441 1.295,442 3.667,443 2.21,444 1.227,445 1.676,447 2.809,448 1.202,449 2.528,450 1.245,451 3.59,452 2.116,453 1.151,454 1.514,456 2.76,457 1.103,458 2.376,459 1.16,460 3.583,461 2.016,462 1.029,463 1.326,465 2.523,466 1.012,467 17.933,468 0.472,469 0.778,470 0.02,471 46.25,472 1.217,473 20.5,474 0.539,475 25.75,476 0.678,477 38.812,478 1.021,479 40.867,480 0.584,481 41.842,482 1.101,483 9.325,484 0.245,485 9.327,486 0.245,487 0.065,489 0.346,493 0.775,494 1.413,495 0.773,496 1.145,497 0.553,498 0.985,499 1.18,500 1.006,501 0.954,502 0.846,503 0.651,504 0.85,505 1.009,506 0.833,507 0.933,508 0.819,509 0.857,510 0.853,511 0.645,512 1.241,513 0.89,514 1.205,515 0.541,516 1.106,517 1.123,518 0.932,519 0.878,520 0.9,521 0.903,522 0.858,523 1.246,524 0.922,525 0.967,526 0.915,527 1.166,528 0.901,529 1.182,530 1.181,531 1.072,532 1.146,533 1.367,534 1.103,535 1.191,536 0.945,537 1.037,538 0.897,539 1.313,540 0.933,541 5,542 0.232,543 3.778,544 3.722,545 1.914,546 1.723,547 1.228,548 0.8,549 0.641,550 0.487,551 20203,552 47996,553 2.175,554 45.7,556 26,557 2,559 1,561 3,564 1.798,565 2.073,566 3.426,567 -0.4,574 105.843,575 1.512,576 3.457,577 4.273,578 4.776,579 4.947,580 4.947,581 2.192,582 4.143,583 5.232,584 3.496,585 2458.01,586 9.268,587 38730.2,592 429.05,593 1.275,594 5.196,595 0.116,596 0.005,597 0.062,598 0.056,599 0.027,600 0.023,601 0.016,602 0.011,603 0.009,604 0.007,605 0.33,606 0.5,607 0.75,608 0.565,609 204.525,610 -0.017,611 -0.229,612 0.077,613 -0.088,614 -0.018,615 -0.007,616 -0.102,617 0.122,618 -0.007,619 0.136,620 0.004,621 0.09,622 -0.006,623 0.218,624 0.028,625 0.176,626 -0.021,627 0.119,628 0.092,629 -0.213,630 0.028,631 -0.169,632 0.188,633 -0.094,634 0.004,635 0.051,636 0.132,637 0.068,638 0.047,639 0.113,640 -0.008,641 0.082,642 0.036,643 0.063,644 0.021,645 0.057,646 -0.1,647 -0.175,648 -0.093,649 -0.157,650 -0.077,651 -0.131,652 -0.016,653 0.035,654 -0.015,655 0.058,656 -0.057,657 0.028,658 2.033,659 6.286,660 0.895,661 27.111,662 1.001,663 1.123,664 1.893,665 3.584,666 0.664,667 3.784,668 4.127,669 4.489,670 4.852,671 5.112,672 5.313,673 5.553,674 5.743,675 5.864,676 6.004,677 6.623,678 0.633,679 512.66,680 3.784,681 5.342,682 6.229,683 7.138,684 8.05,685 8.975,686 9.901,687 10.834,688 11.768,689 12.707,690 5.7,693 1,697 1,698 2,705 4,706 10,711 2,712 2,713 20,732 70,734 23,735 2,736 43,738 75,739 30,740 16,741 4,742 8,743 4,745 6,746 25,751 1,759 20,760 10,763 3,768 2,772 4,778 32,779 6,780 1,781 8,787 4,789 1,792 0.167,793 4,804 2,808 3,809 2,812 2,828 2,831 1,834 2,835 1,839 1,843 38,851 9,853 1,854 2,857 1,867 5.7,870 2,871 2,874 18.333,875 12.85,876 8.389,877 4.504,878 4.433,879 1.463,880 1.021,881 7.175,882 14.014,883 4.043,884 4.668,885 5.36,886 6.055,887 6.632,888 7.094,889 7.627,890 8.107,891 8.425,892 8.861,893 0.444,894 67,895 14.189,897 6.199,898 7.649,899 27.451,901 23.224,903 2.149,904 81.667,908 364.904,909 163.214,910 24.933,912 72.29,915 163.214,916 437.194,917 24.933,918 8.825,919 46.909,920 93.905,921 81.699,922 24.811,923 27.83,924 341.362,926 364.904,927 188.147,928 72.29,931 329.591,932 85.603,933 22,935 62.657,936 125.491,939 364.904,940 97.223,941 163.214,944 364.904,945 60.484,946 109.653,947 18.011,948 72.29,949 364.904,950 97.223,951 163.214,953 0.575,954 0.352,955 0.208,956 0.116,957 31,958 13,959 0.013,960 1,961 7,962 1.353,963 4.53,964 415.248,965 0.412,966 32,967 165.421,973 25.079,974 10.872,975 4.751,976 3.894,977 93.425,978 19.994,983 1.517,984 4.239,985 18.011,986 625.341,987 56,992 26.572,996 0.104,998 70.087,999 78.644,1000 0.247,1001 0.564,1002 0.697,1003 0.779,1004 0.807,1005 0.807,1006 5.298,1007 1.913,1008 6.213,1009 5.943,1010 4.812,1011 5.357,1012 2.206,1013 7.089,1014 4.742,1015 6.508,1016 1.66,1017 7.802,1018 5.476,1019 4.369,1020 5.247,1021 0.325,1022 8.125,1023 4.302,1024 7.836,1025 1.648,1026 9.5,1027 4.662,1028 6.447,1029 7.646,1030 2.154,1031 11.323,1032 6.331,1033 9.21,1034 1.554,1035 11.267,1036 3.666,1037 6.919,1038 8.473,1039 0.268,1040 13.264,1041 6.815,1042 10.627,1043 1.328,1044 13.078,1045 3.47,1046 8.427,1047 10.327,1048 2.239,1049 15.979,1050 8.289,1051 12.076,1052 1.227,1053 14.921,1054 3.24,1055 9.317,1056 11.567,1057 0.188,1058 18.265,1059 9.188,1060 13.549,1061 1.151,1062 16.786,1063 2.809,1064 10.617,1065 13.219,1066 2.425,1067 20.832,1068 10.467,1069 3.428,1070 1.029,1071 18.669,1072 2.76,1073 11.69,1074 14.632,1075 0.125,1076 23.252,1077 11.542,1078 3.194,1079 12.66,1080 20.565,1081 2.523,1082 12.918,1083 16.209,1084 2.68,1085 25.775,1086 12.757,1087 2.94,1088 11.316,1089 22.471,1090 4.714,1091 14.067,1092 17.694,1093 0.082,1094 28.248,1095 13.904,1096 2.475,1097 10.242,1098 24.385,1099 4.601,1100 15.275,1101 19.243,1102 2.98,1103 30.761,1104 15.102,1105 2.273,1106 7.838,1107 26.306,1108 3.942,1109 16.456,1110 20.757,1111 0.054,1112 33.258,1113 16.28,1114 2.116,1115 6.804,1116 28.233,1117 2.917,1118 17.66,1119 22.298,1120 3.307,1121 35.772,1122 17.477,1123 2.014,1124 6.656,1125 30.164,1126 2.793,1127 18.856,1128 23.825,1129 0.035,1130 38.281,1131 18.668,1132 18659,1133 29002,1134 29.531,1135 46.5,1136 64.982,1137 67.121,1138 67.107,1139 64.673,1140 64.707,1141 83.821,1142 9.04,1143 190.885,1144 62.331,1145 5.793,1146 5.839,1147 6.971,1148 5.518,1149 5.428,1150 7.714,1151 2.4,1152 20.497,1153 5.405,1154 14.241,1155 1.511,1156 1.561,1157 1.561,1158 1.504,1159 1.505,1160 1.949,1161 0.21,1162 4.439,1163 1.45,1164 4.207,1165 4.235,1166 4.178,1167 4.126,1168 7.45,1169 4.135,1170 4.099,1171 4.132,1172 4.063,1173 4.013,1174 7.408,1175 4.021,1176 3.781,1177 3.842,1178 3.741,1179 3.629,1180 4.958,1181 3.65,1182 3.758,1183 3.785,1184 3.639,1185 3.556,1186 4.889,1187 3.566,1188 3.576,1189 3.625,1190 3.447,1191 3.389,1192 4.601,1193 3.394,1194 3.525,1195 3.589,1196 3.395,1197 3.344,1198 4.546,1199 3.348,1200 3.366,1201 3.42,1202 3.244,1203 3.193,1204 4.33,1205 3.197,1206 3.333,1207 3.409,1208 3.173,1209 3.137,1210 4.229,1211 3.13,1212 0.112,1213 0.089,1214 0.167,1215 0.103,1216 0.08,1217 4.825,1218 0.11,1219 3.839,1220 0.028,1221 7.187,1222 0.294,1223 4.421,1224 0.079,1225 3.428,1226 4.714,1227 1.2,1228 12.66,1229 3.405,1230 1.963,1231 1.945,1232 2.045,1233 2.038,1234 1.229,1235 2.04,1236 1.931,1237 1.906,1238 2.028,1239 2.032,1240 1.216,1241 2.032,1242 1.745,1243 1.712,1244 1.946,1245 1.947,1246 1.181,1247 1.951,1248 1.713,1249 1.648,1250 1.865,1251 1.9,1252 1.114,1253 1.892,1254 1.597,1255 1.535,1256 1.802,1257 1.797,1258 1.029,1259 1.801,1260 1.482,1261 1.441,1262 1.679,1263 1.683,1264 0.908,1265 1.68,1266 1.36,1267 1.3,1268 1.676,1269 1.624,1270 0.875,1271 1.624,1272 1.282,1273 1.228,1274 1.554,1275 1.574,1276 0.801,1277 1.542,1278 4.466,1280 5.802,1281 3.434,1282 7.331,1283 5.938,1284 8.957,1285 8.138,1286 10.642,1288 2.153,1294 6.322,1296 2.567,1297 11.973,1300 2.333,1305 44.32,1306 105.843,1307 241.982,1308 299.076,1309 334.295,1310 346.295,1311 346.295,1312 68.397,1313 9.581,1314 81.49,1315 81.49,1316 46,1317 13.205,1318 4.585,1319 3.807,1320 52.534,1321 169,1322 149,1323 0.164,1324 265.141,1325 459.92,1326 638.704,1327 262123,1329 26.062,1330 0.686,1331 0.569,1332 26.062,1333 21.612,1334 18.652,1335 0.434,1336 0.309,1337 13.089,1338 17.859,1339 12.845,1340 10.509,1341 18.652,1342 13.297,1343 16.439,1344 0.269,1345 0.159,1346 16.439,1347 9.699,1348 14.653,1349 0.167,1350 0.086,1351 14.653,1352 7.551,1353 13.217,1354 0.104,1355 0.044,1356 13.217,1357 5.576,1358 10.913,1359 0.066,1360 0.023,1361 10.913,1362 3.809,1363 0.251,1364 117.238,1365 0.184,1366 33.214,1367 0.473,1368 208,1369 582.21,1370 227.15,1371 551.719,1372 764.12,1373 522,1374 253,1375 561.25,1376 273.181,1377 565.857,1378 846.54,1379 536,1380 6.523}
{0 CHEMBL103091,1 1.265,2 12.862,3 7.289,4 53.132,5 120.627,6 5.767,7 0.2,8 4.273,9 4.412,10 3.592,11 3.763,12 5.163,13 3.685,14 4.889,15 5.108,16 3.901,17 4.167,18 5.693,19 4.047,20 5.223,21 5.478,22 4.102,23 4.394,24 6.011,25 4.255,26 5.352,27 5.611,28 4.194,29 4.495,30 6.194,31 4.358,32 5.423,33 5.669,34 4.124,35 4.526,36 6.351,37 4.369,38 5.419,39 5.705,40 3.992,41 4.487,42 6.155,43 4.288,44 5.364,45 5.661,46 3.773,47 4.363,48 6.108,49 4.138,50 5.274,51 5.598,52 3.472,53 4.17,54 5.967,55 3.919,56 0.084,57 0.919,58 17.63,59 7.388,60 10.422,61 10.387,62 0.326,63 1.488,64 31.295,65 11.907,66 29.939,67 17.271,68 0.555,69 1.929,70 42.773,71 15.712,72 45.361,73 22.953,74 0.411,75 2.157,76 48.494,77 17.463,78 53.082,79 25.576,80 0.681,81 2.217,82 52.457,83 18.58,84 99.551,85 26.803,86 0.451,87 2.187,88 49.929,89 18.774,90 53.28,91 27.415,92 0.405,93 1.982,94 46.697,95 17.191,96 56.92,97 25.228,98 0.476,99 1.679,100 41.806,101 14.654,102 60.028,103 21.705,104 54,105 39,106 0.203,107 0.445,108 0.687,109 0.782,110 0.83,111 0.862,112 3.408,113 1.164,114 -6.39,115 -6.22,116 -5.78,119 35.7,120 3,121 10,122 1,124 1,125 1,127 2,142 3,143 2,144 1,158 1,172 17,174 1,175 4,183 17,187 2,188 8,191 1,193 1,196 16,200 8,205 1,208 15,213 6,216 1,218 1,221 18,225 5,228 1,230 4,233 18,238 4,243 4,246 14,250 3,255 1,258 11,263 3,268 1,271 10,275 1558,276 19.518,277 19.518,278 19.518,279 19.518,280 19.518,281 18.661,282 14.326,283 12.069,284 19.733,285 14.706,286 14.706,287 14.706,288 14.706,289 14.706,290 13.309,291 14.981,292 5.607,293 15.071,294 4.864,295 3.357,296 1.851,297 1.258,298 0.957,299 0.757,300 4.075,305 1,306 756,307 4.062,311 74.261,313 97.001,317 150.61,318 1.886,319 24.832,322 0.75,323 0.67,324 0.67,325 0.9,326 1,327 0.67,328 0.5,329 0.74,330 61.5,331 373,332 4.472,333 3.902,334 6.886,335 4.203,336 3.238,337 4.068,338 2.473,339 11.405,340 3.128,341 4.067,342 3.288,343 6.423,344 3.849,345 2.857,346 3.254,347 0.841,348 9.772,349 2.825,350 3.548,351 2.92,352 5.588,353 3.382,354 2.457,355 2.714,356 0.297,357 7.324,358 2.26,359 3.338,360 2.562,361 5.299,362 3.138,363 2.155,364 2.423,366 6.484,367 2.115,368 2.966,369 2.206,370 4.572,371 2.894,372 1.896,373 2.067,375 4.368,376 1.892,377 2.904,378 1.905,379 4.379,380 2.732,381 1.731,382 1.905,384 3.827,385 1.719,386 2.813,387 1.738,388 3.952,389 2.621,390 1.624,391 1.855,393 3.569,394 1.618,395 2.642,396 1.576,397 3.892,398 2.408,399 1.413,400 1.642,402 3.232,403 1.403,404 2.426,405 1.471,406 3.62,407 2.292,408 1.312,409 1.409,411 3.06,412 1.28,413 2.208,414 1.208,415 3.317,416 2.107,417 1.123,418 1.195,420 2.274,421 1.101,422 1.77,423 1.172,424 3.124,425 1.705,426 0.71,427 0.74,429 1.421,430 0.705,431 1.513,432 0.842,433 2.835,434 1.386,435 0.436,436 0.458,438 0.853,439 0.405,440 1.346,441 0.636,442 2.714,443 1.202,444 0.309,445 0.315,447 0.54,448 0.275,449 1.17,450 0.58,451 2.459,452 1.066,453 0.083,454 0.087,456 0.163,457 0.082,458 1.019,459 0.206,460 2.333,461 0.769,462 -0.224,463 -0.248,465 -0.469,466 -0.219,467 13.9,468 0.479,469 0.596,470 0.021,471 24.75,472 0.853,473 8,474 0.276,475 16.75,476 0.578,477 38.142,478 1.315,479 35.3,480 0.504,481 17.1,482 0.59,483 3.797,484 0.131,485 10.192,486 0.351,487 0.192,489 0.281,493 0.827,494 1.468,495 1.093,496 1.366,497 0.763,498 1.273,499 0.83,500 1.224,501 1.049,502 1.163,503 0.636,504 1.129,505 0.837,506 1.055,507 0.935,508 1.002,509 0.706,510 0.982,511 1.07,512 1.063,513 0.973,514 1.038,515 0.969,516 0.993,517 1.541,518 1.077,519 1.223,520 1.086,521 1.61,522 1.118,523 0.797,524 1.06,525 0.997,526 1.082,527 0.732,528 1.064,529 0.911,530 1.086,531 1.045,532 1.109,533 0.889,534 1.095,535 1.181,536 0.826,537 0.988,538 0.846,539 1.321,540 0.893,541 4.5,542 0.124,543 2.667,544 2.438,545 1.613,546 1.208,547 0.771,548 0.354,549 0.189,550 0.151,551 9670,552 17394,553 1.938,554 58.6,555 27,556 10,559 1,561 3,564 1.719,565 1.794,566 3.511,567 -0.439,574 88.539,575 1.265,576 2.772,577 4.279,578 4.872,579 5.172,580 5.372,581 3.052,582 4.789,583 4.814,584 3.744,585 1520.25,586 8.395,587 20904.3,592 429.05,593 1.475,594 4.773,595 0.15,596 0.007,597 0.068,598 0.052,599 0.032,600 0.027,601 0.02,602 0.012,603 0.009,604 0.008,605 0.384,606 0.33,607 0.75,608 2.317,609 148.391,610 -0.003,611 -0.101,612 0.03,613 -0.038,614 -0.045,615 -0.007,616 0.103,617 -0.042,618 0.011,619 -0.028,620 0.059,621 -0.019,622 0.173,623 0.025,624 0.094,625 0.05,626 0.056,627 0.058,628 -0.01,629 0.01,630 0.06,631 -0.003,632 0.051,633 0.034,634 -0.093,635 -0.039,636 -0.151,637 -0.058,638 -0.029,639 -0.105,640 0.028,641 -0.057,642 -0.027,643 -0.074,644 0.037,645 -0.059,646 -0.027,647 -0.125,648 -0.085,649 -0.132,650 0.015,651 -0.116,652 -0.1,653 0.05,654 -0.036,655 0.051,656 -0.122,657 0.018,658 1.902,659 5.646,660 0.414,661 34.121,662 0.982,663 1.135,664 5.16,665 26.625,666 0.609,667 3.434,668 3.689,669 3.932,670 4.174,671 4.331,672 4.477,673 4.605,674 4.635,675 4.663,676 4.585,677 7.191,678 0.553,679 403.67,680 3.434,681 4.934,682 5.759,683 6.619,684 7.473,685 8.35,686 9.219,687 10.107,688 10.985,689 11.879,690 1.4,696 1,706 3,711 3,713 6,727 1,732 70,734 7,735 1,736 30,738 71,739 25,740 6,741 3,742 3,745 2,746 3,751 4,754 3,757 12,759 7,760 18,761 1,763 1,768 1,772 1,778 41,779 4,780 1,781 4,787 1,792 0.5,793 3,794 1,809 1,811 1,815 1,825 1,833 1,835 1,839 4,843 29,850 1,851 11,854 1,856 3,857 1,867 4.3,868 1,870 1,872 1,874 16.167,875 13.233,876 6.833,877 5.014,878 1.359,879 1.19,880 0.888,881 10.342,882 8.528,883 3.555,884 3.961,885 4.391,886 4.855,887 5.258,888 5.454,889 5.729,890 5.909,891 6.084,892 6.106,893 1,894 47,895 10.884,897 4.427,898 7.557,899 21.656,901 17.694,903 2.057,904 59.667,908 470.844,909 104.965,910 3.124,912 78.828,915 104.965,916 549.672,917 3.124,918 34.872,919 25.345,920 71.112,921 32.336,922 23.252,924 470.844,926 470.844,927 108.09,928 78.828,931 435.531,932 71.458,933 42.683,935 51.821,936 56.269,939 470.844,940 81.952,941 104.965,944 470.844,945 41.665,946 66.425,948 78.828,949 470.844,950 81.952,951 104.965,953 0.555,954 0.325,955 0.179,956 0.092,957 14,958 8,959 0.155,960 11,961 1,962 1.167,963 3.905,964 237.933,965 0.167,966 12,967 138.881,973 24.052,974 12.469,975 6.91,977 81.952,978 6.416,983 3.672,985 42.683,986 657.762,987 34,992 12.646,996 -0.235,998 68.756,999 79.431,1000 0.206,1001 0.452,1002 0.698,1003 0.795,1004 0.844,1005 0.876,1006 4.783,1007 1.413,1008 5.72,1009 3.569,1010 4.369,1011 4.644,1012 2.529,1013 6.521,1014 4.318,1015 5.906,1016 1.312,1017 7.273,1018 3.232,1019 3.892,1020 4.35,1021 2.283,1022 7.479,1023 3.801,1024 7.17,1025 1.123,1026 8.941,1027 3.06,1028 5.927,1029 6.6,1030 3.911,1031 10.625,1032 5.815,1033 8.474,1034 0.71,1035 10.679,1036 2.274,1037 6.33,1038 7.196,1039 4.328,1040 12.46,1041 6.171,1042 9.82,1043 0.436,1044 12.464,1045 1.421,1046 7.811,1047 8.952,1048 5.562,1049 15.127,1050 7.635,1051 11.195,1052 0.309,1053 14.281,1054 0.853,1055 8.628,1056 9.957,1057 6.245,1058 17.299,1059 8.409,1060 12.593,1061 0.083,1062 16.121,1063 0.54,1064 9.896,1065 11.522,1066 7.305,1067 19.806,1068 9.657,1069 3.238,1070 -0.224,1071 17.977,1072 0.163,1073 10.903,1074 12.72,1075 8.104,1076 22.117,1077 10.625,1078 2.857,1079 11.405,1080 19.845,1081 -0.469,1082 12.093,1083 14.203,1084 9.084,1085 24.566,1086 11.789,1087 2.457,1088 9.772,1089 21.722,1090 4.068,1091 13.184,1092 15.496,1093 9.938,1094 26.937,1095 12.844,1096 2.155,1097 7.324,1098 23.607,1099 3.254,1100 14.348,1101 16.939,1102 10.88,1103 29.368,1104 13.979,1105 1.896,1106 6.484,1107 25.498,1108 2.714,1109 15.476,1110 18.282,1111 11.76,1112 31.766,1113 15.071,1114 1.731,1115 4.368,1116 27.394,1117 2.423,1118 16.635,1119 19.705,1120 12.683,1121 34.191,1122 16.197,1123 1.624,1124 3.827,1125 29.293,1126 2.067,1127 17.781,1128 21.074,1129 13.576,1130 36.604,1131 17.308,1132 9998,1133 13681,1134 19.186,1135 42.597,1136 42.635,1137 44.343,1138 45.602,1139 42.624,1140 42.684,1141 48.263,1142 7.222,1143 116.582,1144 41.621,1145 5.439,1146 5.902,1147 6.863,1148 5.293,1149 5.238,1150 7.068,1151 4.215,1152 18.981,1153 5.128,1154 17.388,1155 1.421,1156 1.478,1157 1.52,1158 1.421,1159 1.423,1160 1.609,1161 0.241,1162 3.886,1163 1.387,1164 4.028,1165 4.061,1166 3.966,1167 3.947,1168 7.432,1169 3.946,1170 3.794,1171 3.857,1172 3.658,1173 3.673,1174 6.456,1175 3.654,1176 3.745,1177 3.793,1178 3.616,1179 3.615,1180 4.736,1181 3.612,1182 3.615,1183 3.685,1184 3.444,1185 3.488,1186 4.386,1187 3.465,1188 3.571,1189 3.612,1190 3.431,1191 3.387,1192 4.23,1193 3.391,1194 3.404,1195 3.486,1196 3.205,1197 3.254,1198 4.219,1199 3.231,1200 3.303,1201 3.39,1202 3.113,1203 3.089,1204 4.087,1205 3.083,1206 3.133,1207 3.211,1208 3.002,1209 2.951,1210 3.987,1211 2.927,1212 0.149,1213 0.13,1214 0.23,1215 0.14,1216 0.108,1217 4.472,1218 0.136,1219 3.902,1220 0.082,1221 6.886,1222 0.38,1223 4.203,1224 0.104,1225 3.238,1226 4.068,1227 2.473,1228 11.405,1229 3.128,1230 1.983,1231 1.956,1232 2.108,1233 2.09,1234 1.437,1235 2.094,1236 1.808,1237 1.748,1238 2.05,1239 1.966,1240 1.358,1241 1.999,1242 1.732,1243 1.682,1244 1.965,1245 1.893,1246 1.266,1247 1.919,1248 1.645,1249 1.579,1250 1.913,1251 1.814,1252 1.201,1253 1.851,1254 1.529,1255 1.485,1256 1.77,1257 1.75,1258 1.061,1259 1.752,1260 1.432,1261 1.356,1262 1.725,1263 1.631,1264 0.94,1265 1.671,1266 1.295,1267 1.207,1268 1.624,1269 1.547,1270 0.779,1271 1.579,1272 1.156,1273 1.069,1274 1.513,1275 1.378,1276 0.687,1277 1.43,1278 4.111,1280 5.38,1282 6.843,1284 8.415,1286 10.056,1288 8.335,1293 9.777,1294 11.985,1297 5.656,1299 -0.661,1300 2.077,1305 38.702,1306 88.539,1307 194.035,1308 299.501,1309 341.011,1310 362.03,1311 376.03,1312 86.463,1313 7.169,1314 49.77,1315 49.77,1316 14,1317 12.409,1318 3,1319 2.322,1320 65.726,1321 118,1322 183,1323 0.266,1324 242.866,1325 432.25,1326 584.352,1327 12205,1329 21.225,1330 0.732,1331 0.654,1332 21.225,1333 18.953,1334 13.99,1335 0.466,1336 0.388,1337 11.544,1338 13.623,1339 11.131,1340 9.411,1341 13.99,1342 11.641,1343 11.686,1344 0.3,1345 0.228,1346 11.686,1347 8.885,1348 9.294,1349 0.186,1350 0.123,1351 9.294,1352 6.136,1353 7.878,1354 0.123,1355 0.07,1356 7.878,1357 4.503,1358 5.601,1359 0.075,1360 0.038,1361 5.601,1362 2.883,1363 0.421,1364 86.661,1365 0.228,1366 27.793,1367 0.719,1368 138,1369 323.266,1370 148.386,1371 306.651,1372 413.63,1373 288,1374 158,1375 293.332,1376 168.86,1377 296.576,1378 435.36,1379 279,1380 5.764}
{0 CHEMBL103506,1 1.512,2 11.079,3 3.606,4 13.005,5 147.107,6 7.324,7 0.465,8 4.357,9 4.471,10 3.923,11 3.884,12 5.393,13 3.871,14 4.938,15 5.109,16 4.289,17 4.304,18 5.945,19 4.273,20 5.18,21 5.381,22 4.393,23 4.49,24 6.15,25 4.427,26 5.288,27 5.486,28 4.488,29 4.61,30 6.295,31 4.53,32 5.48,33 5.714,34 4.573,35 4.651,36 6.447,37 4.58,38 5.466,39 5.674,40 4.626,41 4.695,42 6.508,43 4.635,44 5.524,45 5.727,46 4.616,47 4.751,48 6.553,49 4.672,50 5.595,51 5.823,52 4.56,53 4.732,54 6.585,55 4.637,56 0.016,57 1.023,58 14.691,59 6.46,60 8.072,61 8.434,62 0.422,63 1.708,64 29.686,65 10.597,66 34.403,67 14.176,68 0.659,69 2.075,70 39.353,71 14.436,72 43.777,73 19.509,74 0.258,75 2.351,76 42.118,77 17.192,78 59.729,79 23.649,80 0.71,81 2.692,82 55.469,83 19.01,84 70.351,85 26.417,86 0.824,87 2.672,88 53.49,89 18.764,90 78.088,91 25.426,92 0.506,93 2.847,94 55.517,95 20.665,96 85.442,97 27.766,98 0.986,99 2.918,100 62.811,101 21.637,102 118.057,103 29.431,104 11,105 61,106 0.234,107 0.535,108 0.679,109 0.792,110 0.823,111 0.845,112 3.669,113 0.928,114 -3.12,115 -3.12,116 -3,119 42.9,120 1,125 9,136 2,142 8,143 4,151 2,152 2,158 2,172 13,175 9,178 2,180 2,183 14,187 4,188 10,193 2,196 13,199 1,200 8,205 2,208 10,212 2,213 14,216 2,218 2,221 9,224 5,225 14,230 4,233 8,237 1,238 12,243 2,246 10,249 2,250 15,253 2,258 9,262 4,263 10,271 8,275 2088,276 26.474,277 26.474,278 26.474,279 26.474,280 26.474,281 23.808,282 24.788,283 15.788,284 27.148,285 21.23,286 21.23,287 21.23,288 21.23,289 21.23,290 16.921,291 23.506,292 7.464,293 22.203,294 4.617,295 2.672,296 1.742,297 1.011,298 0.811,299 0.668,300 4.388,305 1,306 938,307 2.739,310 116.938,311 102.592,314 147.992,318 0.999,319 36.796,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 82,331 421,332 4.825,333 3.839,334 7.187,335 4.421,336 3.429,337 4.714,338 1.2,339 12.66,340 3.405,341 4.638,342 3.32,343 6.82,344 4.167,345 3.195,346 4.601,347 0.86,348 11.317,349 3.111,350 4.357,351 3.216,352 6.535,353 3.916,354 2.941,355 3.942,356 0.86,357 10.243,358 2.865,359 3.601,360 3.155,361 5.878,362 3.4,363 2.479,364 2.918,365 0.8,366 7.845,367 2.288,368 3.513,369 2.821,370 5.465,371 3.243,372 2.26,373 2.798,374 0.8,375 6.881,376 2.219,377 3.43,378 2.516,379 5.311,380 3.055,381 2.095,382 2.726,384 6.58,385 2.004,386 3.361,387 2.453,388 5.202,389 2.962,390 1.996,391 2.628,393 5.912,394 1.917,395 3.319,396 2.223,397 4.955,398 2.887,399 1.904,400 2.439,402 5.461,403 1.859,404 3.149,405 2.143,406 4.749,407 2.695,408 1.813,409 2.307,411 4.658,412 1.685,413 2.857,414 1.982,415 4.393,416 2.677,417 1.648,418 1.922,420 3.728,421 1.583,422 2.842,423 1.907,424 3.898,425 2.354,426 1.451,427 1.87,429 3.637,430 1.33,431 2.69,432 1.452,433 3.751,434 2.315,435 1.327,436 1.762,438 3.035,439 1.286,440 2.654,441 1.297,442 3.679,443 2.217,444 1.232,445 1.683,447 2.827,448 1.211,449 2.465,450 1.241,451 3.593,452 2.112,453 1.15,454 1.45,456 2.741,457 1.097,458 2.376,459 1.169,460 3.58,461 2.017,462 1.03,463 1.329,465 2.537,466 1.012,467 17.933,468 0.472,469 0.778,470 0.02,471 46.25,472 1.217,473 20.5,474 0.539,475 25.75,476 0.678,477 38.935,478 1.025,479 40.867,480 0.584,481 41.98,482 1.105,483 9.325,484 0.245,485 9.327,486 0.245,487 0.065,489 0.346,493 0.775,494 1.413,495 0.773,496 1.145,497 0.553,498 0.985,499 1.18,500 1.006,501 0.954,502 0.846,503 0.651,504 0.85,505 0.992,506 0.83,507 0.933,508 0.817,509 0.846,510 0.853,511 0.601,512 1.258,513 0.888,514 1.196,515 0.529,516 1.105,517 1.04,518 0.951,519 0.869,520 0.887,521 0.877,522 0.854,523 1.14,524 0.942,525 0.949,526 0.902,527 1.128,528 0.895,529 1.12,530 1.165,531 1.071,532 1.16,533 1.324,534 1.117,535 1.226,536 0.962,537 1.078,538 0.982,539 1.329,540 1.005,541 5,542 0.213,543 3.778,544 3.597,545 1.914,546 1.723,547 1.406,548 0.833,549 0.692,550 0.458,551 20011,552 47822,553 2.175,554 45.7,556 26,557 2,559 1,561 3,564 1.798,565 2.073,566 3.426,567 -0.4,574 105.843,575 1.512,576 3.457,577 4.387,578 5.118,579 5.318,580 5.461,581 2.35,582 5.09,583 5.232,584 3.482,585 2447.88,586 9.271,587 38389.9,592 429.05,593 1.275,594 5.196,595 0.116,596 0.005,597 0.062,598 0.054,599 0.027,600 0.022,601 0.017,602 0.011,603 0.009,604 0.007,605 0.33,606 0.5,607 0.75,608 0.565,609 204.174,610 -0.017,611 -0.229,612 0.077,613 -0.088,614 -0.018,615 -0.007,616 -0.102,617 0.122,618 -0.007,619 0.136,620 0.004,621 0.09,622 0.011,623 0.221,624 0.028,625 0.178,626 -0.01,627 0.119,628 0.092,629 -0.221,630 0.026,631 -0.162,632 0.185,633 -0.092,634 0.009,635 0.048,636 0.132,637 0.079,638 0.045,639 0.118,640 0.001,641 0.08,642 0.041,643 0.076,644 0.014,645 0.066,646 -0.091,647 -0.151,648 -0.104,649 -0.162,650 -0.074,651 -0.139,652 -0.052,653 0.009,654 -0.066,655 -0.01,656 -0.092,657 -0.036,658 2.027,659 6.332,660 0.895,661 27.737,662 1.001,663 1.123,664 1.893,665 3.584,666 0.664,667 3.784,668 4.127,669 4.489,670 4.852,671 5.118,672 5.328,673 5.576,674 5.771,675 5.892,676 6.026,677 6.553,678 0.633,679 512.66,680 3.784,681 5.342,682 6.229,683 7.138,684 8.051,685 8.977,686 9.903,687 10.838,688 11.773,689 12.713,690 5.7,693 1,697 1,698 2,705 4,706 10,711 2,712 2,713 20,732 70,734 23,735 2,736 43,738 75,739 30,740 16,741 4,742 8,743 4,745 6,746 25,751 1,759 20,760 10,763 3,768 2,772 4,778 32,779 6,780 1,781 8,787 4,789 1,792 0.167,793 4,804 2,808 3,809 2,812 2,828 2,831 1,834 2,835 1,839 1,843 38,851 9,853 1,854 2,857 1,867 5.7,870 2,871 2,874 18.333,875 12.85,876 8.389,877 4.504,878 4.433,879 1.463,880 1.021,881 7.175,882 14.014,883 4.043,884 4.668,885 5.36,886 6.055,887 6.634,888 7.1,889 7.637,890 8.121,891 8.442,892 8.877,893 0.556,894 67,895 14.187,897 6.195,898 7.649,899 27.451,901 23.224,903 2.149,904 81.667,908 364.904,909 163.214,910 24.933,912 72.29,915 163.214,916 437.194,917 24.933,918 8.825,919 46.909,920 93.905,921 81.699,922 24.811,923 27.83,924 341.362,926 364.904,927 188.147,928 72.29,931 329.591,932 85.603,933 22,935 62.657,936 125.491,939 364.904,940 97.223,941 163.214,944 364.904,945 60.484,946 109.653,947 18.011,948 72.29,949 364.904,950 97.223,951 163.214,953 0.575,954 0.35,955 0.206,956 0.115,957 31,958 13,959 0.013,960 1,961 7,962 1.353,963 4.517,964 416.712,965 0.412,966 32,967 195.421,973 25.079,974 10.872,975 4.751,976 3.938,977 93.425,978 20.085,983 1.539,984 4.295,985 18.011,986 625.341,987 56,992 26.645,996 0.144,998 70.087,999 78.644,1000 0.247,1001 0.564,1002 0.716,1003 0.835,1004 0.868,1005 0.891,1006 5.298,1007 1.904,1008 6.213,1009 5.912,1010 4.812,1011 5.357,1012 2.206,1013 7.089,1014 4.742,1015 6.508,1016 1.813,1017 7.802,1018 5.461,1019 4.369,1020 5.247,1021 0.325,1022 8.125,1023 4.302,1024 7.836,1025 1.648,1026 9.5,1027 4.658,1028 6.447,1029 7.646,1030 2.154,1031 11.323,1032 6.331,1033 9.21,1034 1.451,1035 11.267,1036 3.728,1037 6.919,1038 8.473,1039 0.268,1040 13.264,1041 6.815,1042 10.627,1043 1.327,1044 13.078,1045 3.637,1046 8.427,1047 10.327,1048 2.239,1049 15.979,1050 8.289,1051 12.076,1052 1.232,1053 14.921,1054 3.035,1055 9.317,1056 11.567,1057 0.188,1058 18.265,1059 9.189,1060 13.549,1061 1.15,1062 16.786,1063 2.827,1064 10.617,1065 13.219,1066 2.425,1067 20.833,1068 10.467,1069 3.429,1070 1.03,1071 18.669,1072 2.741,1073 11.69,1074 14.632,1075 0.125,1076 23.252,1077 11.542,1078 3.195,1079 12.66,1080 20.565,1081 2.537,1082 12.919,1083 16.209,1084 2.68,1085 25.776,1086 12.758,1087 2.941,1088 11.317,1089 22.471,1090 4.714,1091 14.068,1092 17.694,1093 0.082,1094 28.248,1095 13.905,1096 2.479,1097 10.243,1098 24.385,1099 4.601,1100 15.275,1101 19.243,1102 2.98,1103 30.762,1104 15.103,1105 2.26,1106 7.845,1107 26.307,1108 3.942,1109 16.457,1110 20.757,1111 0.054,1112 33.259,1113 16.28,1114 2.095,1115 6.881,1116 28.233,1117 2.918,1118 17.661,1119 22.298,1120 3.307,1121 35.772,1122 17.477,1123 1.996,1124 6.58,1125 30.165,1126 2.798,1127 18.857,1128 23.825,1129 0.035,1130 38.282,1131 18.669,1132 18487,1133 28790,1134 29.531,1135 46.5,1136 65.042,1137 67.167,1138 67.103,1139 64.678,1140 64.739,1141 83.857,1142 9.04,1143 191.032,1144 62.36,1145 5.795,1146 5.839,1147 7.077,1148 5.524,1149 5.429,1150 7.714,1151 2.4,1152 20.497,1153 5.405,1154 14.134,1155 1.513,1156 1.562,1157 1.561,1158 1.504,1159 1.506,1160 1.95,1161 0.21,1162 4.443,1163 1.45,1164 4.208,1165 4.236,1166 4.178,1167 4.126,1168 7.45,1169 4.136,1170 4.099,1171 4.133,1172 4.063,1173 4.014,1174 7.408,1175 4.021,1176 3.779,1177 3.83,1178 3.742,1179 3.63,1180 4.957,1181 3.651,1182 3.744,1183 3.78,1184 3.623,1185 3.548,1186 4.888,1187 3.556,1188 3.614,1189 3.661,1190 3.48,1191 3.406,1192 4.667,1193 3.415,1194 3.477,1195 3.537,1196 3.354,1197 3.29,1198 4.44,1199 3.298,1200 3.43,1201 3.498,1202 3.301,1203 3.265,1204 4.337,1205 3.266,1206 3.293,1207 3.364,1208 3.13,1209 3.109,1210 4.247,1211 3.097,1212 0.112,1213 0.089,1214 0.167,1215 0.103,1216 0.08,1217 4.825,1218 0.11,1219 3.839,1220 0.028,1221 7.187,1222 0.294,1223 4.421,1224 0.079,1225 3.429,1226 4.714,1227 1.2,1228 12.66,1229 3.405,1230 1.963,1231 1.946,1232 2.046,1233 2.043,1234 1.261,1235 2.045,1236 1.932,1237 1.906,1238 2.031,1239 2.034,1240 1.211,1241 2.034,1242 1.761,1243 1.719,1244 1.947,1245 1.942,1246 1.163,1247 1.948,1248 1.698,1249 1.641,1250 1.862,1251 1.892,1252 1.095,1253 1.885,1254 1.565,1255 1.51,1256 1.767,1257 1.761,1258 0.989,1259 1.763,1260 1.505,1261 1.46,1262 1.736,1263 1.743,1264 0.969,1265 1.741,1266 1.379,1267 1.311,1268 1.653,1269 1.612,1270 0.863,1271 1.61,1272 1.293,1273 1.255,1274 1.554,1275 1.58,1276 0.801,1277 1.544,1278 4.466,1280 5.802,1281 3.434,1282 7.331,1283 5.938,1284 8.957,1285 8.138,1286 10.642,1288 2.152,1294 6.247,1296 2.581,1297 11.685,1300 2.355,1305 44.32,1306 105.843,1307 241.982,1308 307.076,1309 358.295,1310 372.295,1311 382.295,1312 67.999,1313 9.581,1314 81.49,1315 81.49,1316 46,1317 13.21,1318 4.585,1319 3.807,1320 52.499,1321 163,1322 136,1323 0.166,1324 265.141,1325 459.92,1326 638.704,1327 261817,1329 26.062,1330 0.686,1331 0.569,1332 26.062,1333 21.612,1334 18.652,1335 0.434,1336 0.309,1337 13.089,1338 17.86,1339 12.845,1340 10.51,1341 18.652,1342 13.297,1343 16.439,1344 0.269,1345 0.159,1346 16.439,1347 9.699,1348 14.662,1349 0.167,1350 0.086,1351 14.662,1352 7.552,1353 13.181,1354 0.104,1355 0.044,1356 13.181,1357 5.587,1358 10.909,1359 0.066,1360 0.023,1361 10.909,1362 3.852,1363 0.253,1364 117.238,1365 0.184,1366 33.159,1367 0.482,1368 208,1369 582.21,1370 227.15,1371 551.719,1372 764.12,1373 522,1374 253,1375 561.25,1376 273.209,1377 565.858,1378 846.55,1379 536,1380 6}
{0 CHEMBL103628,1 1.466,2 11.154,3 3.797,4 14.414,5 156.31,6 6.996,7 0.455,8 4.412,9 4.545,10 3.942,11 3.934,12 5.42,13 3.907,14 4.996,15 5.201,16 4.321,17 4.37,18 5.943,19 4.327,20 5.246,21 5.453,22 4.425,23 4.593,24 6.167,25 4.507,26 5.463,27 5.704,28 4.52,29 4.706,30 6.379,31 4.596,32 5.569,33 5.835,34 4.613,35 4.736,36 6.47,37 4.651,38 5.539,39 5.748,40 4.667,41 4.826,42 6.545,43 4.737,44 5.719,45 5.973,46 4.642,47 4.874,48 6.634,49 4.754,50 5.684,51 5.942,52 4.598,53 4.831,54 6.592,55 4.717,56 0.044,57 1.156,58 16.701,59 6.582,60 9.901,61 9.381,62 0.424,63 1.926,64 32.643,65 10.447,66 30.178,67 15.679,68 0.409,69 2.351,70 41.762,71 15.842,72 33.27,73 22.415,74 0.373,75 2.767,76 53.056,77 19.947,78 71.499,79 29.194,80 0.773,81 3.033,82 61.41,83 19.234,84 68.147,85 29.089,86 0.578,87 3.058,88 56.663,89 20.908,90 68.453,91 29.654,92 0.616,93 3.413,94 70.556,95 24.743,96 95.13,97 36.006,98 0.932,99 3.325,100 69.062,101 22.359,102 103.487,103 33,104 26,105 64,106 0.224,107 0.498,108 0.599,109 0.669,110 0.705,111 0.719,112 3.694,113 0.936,114 -3.31,115 -3.3,116 -3.16,119 41.3,124 3,125 8,136 2,142 8,143 4,151 2,152 2,158 2,172 13,175 8,178 2,180 2,183 14,187 4,188 10,193 2,196 13,199 1,200 8,205 2,208 10,212 2,213 12,216 2,218 2,221 9,224 5,225 14,230 4,233 8,237 1,238 12,243 2,246 7,249 2,250 14,253 2,258 6,262 4,263 10,271 6,275 2059,276 26.499,277 26.499,278 26.499,279 26.499,280 26.499,281 23.833,282 26.412,283 15.449,284 27.053,285 21.735,286 21.735,287 21.735,288 21.735,289 21.735,290 17.426,291 28.601,292 7.371,293 22.568,294 4.763,295 2.971,296 2.314,297 1.854,298 1.617,299 1.527,300 4.408,305 1,306 965,307 2.739,310 122.67,311 106.544,314 153.777,318 0.899,319 30.754,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 83,331 435,332 4.825,333 3.839,334 7.187,335 4.422,336 3.429,337 4.714,338 1.2,339 12.66,340 3.405,341 4.639,342 3.32,343 6.82,344 4.167,345 3.195,346 4.601,347 0.8,348 11.317,349 3.111,350 4.357,351 3.217,352 6.535,353 3.917,354 2.942,355 3.942,356 0.8,357 10.244,358 2.866,359 3.6,360 3.155,361 5.878,362 3.43,363 2.509,364 2.919,365 0.8,366 7.846,367 2.308,368 3.539,369 2.843,370 5.464,371 3.326,372 2.391,373 2.8,374 0.8,375 6.733,376 2.26,377 3.433,378 2.702,379 5.237,380 3.201,381 2.222,382 2.728,384 6.417,385 2.148,386 3.432,387 2.544,388 5.18,389 3.121,390 2.188,391 2.629,393 6.215,394 2.043,395 3.331,396 2.422,397 5.011,398 2.967,399 2.013,400 2.492,402 5.76,403 1.922,404 3.273,405 2.191,406 4.968,407 2.916,408 1.952,409 2.324,411 5.629,412 1.867,413 3.149,414 2.039,415 4.813,416 2.852,417 1.885,418 2.307,420 5.338,421 1.801,422 3.103,423 1.911,424 4.741,425 2.678,426 1.648,427 2.118,429 4.65,430 1.685,431 2.843,432 1.452,433 4.388,434 2.327,435 1.33,436 1.919,438 3.638,439 1.323,440 2.691,441 1.274,442 3.773,443 2.222,444 1.235,445 1.773,447 2.831,448 1.217,449 2.63,450 1.235,451 3.629,452 2.157,453 1.176,454 1.653,456 2.818,457 1.151,458 2.399,459 1.122,460 3.593,461 2.022,462 1.03,463 1.351,465 2.578,466 1.02,467 18.567,468 0.476,469 1.028,470 0.026,471 47.25,472 1.212,473 20.5,474 0.526,475 26.75,476 0.686,477 41.617,478 1.067,479 42.033,480 0.56,481 44.314,482 1.136,483 9.567,484 0.245,485 9.335,486 0.239,487 0.117,489 0.377,493 0.775,494 1.548,495 0.824,496 1.175,497 0.533,498 1.027,499 1.102,500 0.903,501 0.918,502 0.726,503 0.519,504 0.762,505 0.911,506 0.954,507 1.012,508 1.024,509 0.805,510 1.025,511 0.588,512 1.198,513 0.836,514 1.102,515 0.475,516 1.015,517 1.064,518 0.814,519 0.837,520 0.729,521 0.797,522 0.737,523 1.016,524 1.116,525 1.054,526 1.147,527 1.098,528 1.113,529 1.067,530 1.091,531 0.968,532 1.049,533 1.174,534 1.01,535 1.279,536 0.9,537 1.048,538 0.877,539 1.306,540 0.925,541 7,542 0.282,543 4.667,544 3.722,545 2.394,546 1.946,547 1.544,548 0.939,549 0.817,550 0.616,551 21114,552 46037,553 2.139,554 48,556 33,557 2,559 1,564 1.805,565 2,566 3.434,567 -0.409,574 109.954,575 1.466,576 3.258,577 3.915,578 4.375,579 4.612,580 4.702,581 2.098,582 4.26,583 5.271,584 3.477,585 2576.2,586 9.349,587 41162.8,592 467.161,593 1.416,594 5.217,595 0.159,596 0.006,597 0.073,598 0.054,599 0.032,600 0.024,601 0.018,602 0.012,603 0.01,604 0.008,605 0.396,606 0.5,607 0.75,608 0.515,609 210.981,610 0.006,611 -0.315,612 0.083,613 -0.104,614 -0.012,615 -0.021,616 -0.069,617 0.278,618 0.058,619 0.239,620 0.064,621 0.185,622 -0.018,623 0.134,624 -0.061,625 0.002,626 -0.015,627 -0.027,628 0.15,629 -0.205,630 0.118,631 -0.076,632 0.207,633 0.003,634 0.022,635 0.205,636 0.174,637 0.21,638 0.083,639 0.217,640 0.032,641 -0.057,642 -0.086,643 -0.13,644 0.013,645 -0.124,646 -0.028,647 -0.129,648 0.023,649 -0.057,650 -0.018,651 -0.02,652 -0.09,653 0.094,654 -0.036,655 0.079,656 -0.103,657 0.035,658 2,659 6.382,660 0.872,661 26.928,662 0.994,663 1.128,664 2.083,665 4.34,666 0.658,667 3.807,668 4.174,669 4.511,670 4.868,671 5.147,672 5.342,673 5.591,674 5.796,675 5.914,676 6.057,677 6.6,678 0.619,679 524.73,680 3.807,681 5.38,682 6.263,683 7.177,684 8.087,685 9.012,686 9.937,687 10.869,688 11.802,689 12.74,690 8,693 3,697 1,698 2,705 4,706 10,711 2,712 2,713 20,732 75,734 23,735 2,736 44,738 80,739 31,740 16,741 4,742 8,743 4,745 6,746 25,759 20,760 11,763 3,768 2,772 4,778 36,779 6,780 1,781 8,787 6,789 1,792 0.167,793 2,804 2,808 3,809 2,812 2,828 2,831 3,835 1,839 3,843 39,851 8,853 1,857 3,867 2.7,870 2,874 19.5,875 14.417,876 8.389,877 4.571,878 4.429,879 1.46,880 1.022,881 7.169,882 14.059,883 4.06,884 4.696,885 5.369,886 6.059,887 6.642,888 7.105,889 7.643,890 8.129,891 8.449,892 8.887,893 0.444,894 69,895 14.545,897 6.322,898 7.581,899 28.394,901 24.133,903 2.081,904 81.167,908 411.989,909 167.525,910 31.182,912 50.29,915 167.525,916 462.278,917 31.182,918 25.189,919 34.856,920 93.905,921 59.699,922 31.059,923 27.83,924 388.446,926 411.989,927 198.707,928 50.29,931 411.989,932 50.29,935 48.028,936 150.68,939 411.989,940 81.472,941 167.525,944 411.989,945 48.431,946 132.265,947 18.011,948 50.29,949 411.989,950 81.472,951 167.525,953 0.589,954 0.349,955 0.199,956 0.117,957 33,958 15,961 7,962 1.353,963 4.524,964 434.207,965 0.412,966 32,967 170.131,973 26.025,974 10.743,975 4.962,976 4.1,977 77.674,978 20.435,983 1.613,984 4.44,985 18.011,986 660.986,987 57,992 26.764,996 0.256,998 74.519,999 84.637,1000 0.235,1001 0.523,1002 0.629,1003 0.702,1004 0.74,1005 0.755,1006 5.333,1007 2.013,1008 6.267,1009 6.215,1010 4.86,1011 5.384,1012 2.084,1013 7.143,1014 4.794,1015 6.553,1016 1.952,1017 7.861,1018 5.76,1019 4.511,1020 5.308,1021 0.766,1022 8.172,1023 4.414,1024 7.884,1025 1.885,1026 9.559,1027 5.629,1028 6.506,1029 7.664,1030 1.995,1031 11.35,1032 6.388,1033 9.255,1034 1.648,1035 11.319,1036 5.338,1037 7.004,1038 8.491,1039 0.653,1040 13.275,1041 6.874,1042 10.667,1043 1.33,1044 13.122,1045 4.65,1046 8.477,1047 10.335,1048 2.117,1049 15.987,1050 8.329,1051 12.109,1052 1.235,1053 14.956,1054 3.638,1055 9.367,1056 11.572,1057 0.482,1058 18.268,1059 9.218,1060 13.576,1061 1.176,1062 16.814,1063 2.831,1064 10.651,1065 13.222,1066 2.346,1067 20.834,1068 10.489,1069 3.429,1070 1.03,1071 18.689,1072 2.818,1073 11.718,1074 14.634,1075 0.337,1076 23.252,1077 11.557,1078 3.195,1079 12.66,1080 20.58,1081 2.578,1082 12.939,1083 16.21,1084 2.633,1085 25.776,1086 12.769,1087 2.942,1088 11.317,1089 22.482,1090 4.714,1091 14.083,1092 17.694,1093 0.229,1094 28.249,1095 13.912,1096 2.509,1097 10.244,1098 24.393,1099 4.601,1100 15.287,1101 19.243,1102 2.954,1103 30.762,1104 15.108,1105 2.391,1106 7.846,1107 26.312,1108 3.942,1109 16.466,1110 20.758,1111 0.153,1112 33.259,1113 16.284,1114 2.222,1115 6.733,1116 28.237,1117 2.919,1118 17.667,1119 22.298,1120 3.292,1121 35.772,1122 17.48,1123 2.188,1124 6.417,1125 30.167,1126 2.8,1127 18.862,1128 23.825,1129 0.1,1130 38.282,1131 18.671,1132 19577,1133 29214,1134 29.649,1135 49.364,1136 67.695,1137 68.863,1138 69.749,1139 67.267,1140 67.268,1141 86.391,1142 8.8,1143 201.575,1144 65.067,1145 5.795,1146 5.839,1147 6.866,1148 5.486,1149 5.429,1150 7.714,1151 2.4,1152 20.497,1153 5.405,1154 18.588,1155 1.539,1156 1.565,1157 1.585,1158 1.529,1159 1.529,1160 1.963,1161 0.2,1162 4.581,1163 1.479,1164 4.209,1165 4.238,1166 4.179,1167 4.127,1168 7.45,1169 4.136,1170 4.1,1171 4.134,1172 4.063,1173 4.014,1174 7.408,1175 4.022,1176 3.805,1177 3.881,1178 3.744,1179 3.631,1180 4.954,1181 3.652,1182 3.76,1183 3.784,1184 3.663,1185 3.587,1186 4.886,1187 3.595,1188 3.665,1189 3.745,1190 3.531,1191 3.469,1192 4.395,1193 3.473,1194 3.527,1195 3.606,1196 3.393,1197 3.338,1198 4.326,1199 3.343,1200 3.415,1201 3.482,1202 3.3,1203 3.265,1204 4.311,1205 3.266,1206 3.335,1207 3.415,1208 3.205,1209 3.12,1210 4.174,1211 3.132,1212 0.11,1213 0.087,1214 0.163,1215 0.1,1216 0.078,1217 4.825,1218 0.107,1219 3.839,1220 0.027,1221 7.187,1222 0.288,1223 4.422,1224 0.077,1225 3.429,1226 4.714,1227 1.2,1228 12.66,1229 3.405,1230 1.964,1231 1.946,1232 2.047,1233 2.044,1234 1.277,1235 2.044,1236 1.933,1237 1.906,1238 2.034,1239 2.042,1240 1.237,1241 2.043,1242 1.761,1243 1.72,1244 1.965,1245 1.963,1246 1.17,1247 1.97,1248 1.749,1249 1.674,1250 1.916,1251 1.929,1252 1.168,1253 1.93,1254 1.585,1255 1.523,1256 1.795,1257 1.792,1258 1.037,1259 1.798,1260 1.583,1261 1.517,1262 1.753,1263 1.773,1264 0.975,1265 1.771,1266 1.358,1267 1.297,1268 1.609,1269 1.633,1270 0.802,1271 1.611,1272 1.32,1273 1.254,1274 1.563,1275 1.562,1276 0.712,1277 1.528,1278 4.489,1280 5.844,1281 3.434,1282 7.378,1283 5.938,1284 9.002,1285 8.138,1286 10.682,1288 6.513,1294 7.333,1296 2.608,1300 7.104,1305 46.46,1306 109.954,1307 244.336,1308 293.613,1309 328.103,1310 345.877,1311 352.632,1312 68.673,1313 9.631,1314 69.51,1315 69.51,1316 46,1317 13.238,1318 4.585,1319 3.807,1320 54.555,1321 173,1322 118,1323 0.166,1324 280.33,1325 481.64,1326 675.764,1327 275211,1329 27.095,1330 0.695,1331 0.589,1332 27.095,1333 22.983,1334 18.902,1335 0.43,1336 0.312,1337 13.519,1338 18.175,1339 13.116,1340 10.85,1341 18.902,1342 13.725,1343 17.513,1344 0.274,1345 0.171,1346 17.513,1347 10.95,1348 15.066,1349 0.167,1350 0.091,1351 15.066,1352 8.219,1353 13.2,1354 0.102,1355 0.045,1356 13.2,1357 5.806,1358 11.349,1359 0.066,1360 0.025,1361 11.349,1362 4.349,1363 0.253,1364 118.215,1365 0.184,1366 33.787,1367 0.482,1368 216,1369 542.029,1370 232.557,1371 529.566,1372 737.94,1373 498,1374 262,1375 552.146,1376 280.919,1377 566.279,1378 839.71,1379 531,1380 5.804}
{0 CHEMBL103667,1 1.476,2 15.333,3 5.907,4 34.897,5 153.448,6 6.944,7 0.512,8 4.416,9 4.543,10 3.928,11 3.926,12 5.446,13 3.899,14 4.975,15 5.161,16 4.296,17 4.324,18 5.966,19 4.279,20 5.224,21 5.428,22 4.344,23 4.489,24 6.191,25 4.408,26 5.354,27 5.615,28 4.314,29 4.494,30 6.25,31 4.385,32 5.289,33 5.537,34 4.298,35 4.402,36 6.266,37 4.322,38 5.161,39 5.377,40 4.272,41 4.38,42 6.186,43 4.313,44 5.213,45 5.426,46 4.329,47 4.471,48 6.285,49 4.385,50 5.328,51 5.566,52 4.237,53 4.518,54 6.285,55 4.402,56 0.071,57 1.114,58 17.099,59 7.024,60 11.85,61 9.626,62 0.407,63 1.786,64 32.2,65 11.499,66 38.337,67 16.193,68 0.522,69 2.215,70 41.95,71 14.363,72 49.844,73 20.619,74 0.467,75 2.375,76 49.157,77 16.419,78 58.81,79 24.524,80 0.653,81 2.184,82 46.823,83 14.355,84 69.806,85 21.162,86 0.568,87 2.014,88 40.251,89 12.847,90 62.036,91 18.535,92 0.461,93 2.159,94 41.436,95 14.686,96 73.226,97 21.166,98 0.588,99 2.318,100 47.773,101 16.237,102 80.539,103 23.357,104 27,105 61,106 0.226,107 0.537,108 0.702,109 0.788,110 0.812,111 0.816,112 3.693,113 0.941,114 -5.07,115 -4.97,116 -4.65,119 40.8,120 4,123 1,125 6,142 11,143 3,144 3,146 1,153 1,159 1,166 1,172 15,175 7,178 3,179 1,180 3,183 18,187 2,188 11,191 1,193 3,196 14,199 1,200 11,203 1,205 8,208 6,212 1,213 8,216 2,218 9,221 6,224 1,225 11,230 6,233 11,237 1,238 13,241 1,243 7,246 11,250 9,253 1,255 1,258 12,262 1,263 8,268 1,271 23,275 3163,276 26.126,277 26.126,278 26.126,279 26.126,280 26.126,281 23.423,282 36.989,283 15.44,284 26.724,285 21.281,286 21.281,287 21.281,288 21.281,289 21.281,290 17.125,291 47.755,292 7.396,293 22.217,294 4.772,295 2.742,296 1.666,297 1.109,298 0.948,299 0.922,300 4.396,305 1,306 1298,307 4.359,310 114.727,311 481.223,315 186.324,318 2.479,319 29.015,322 0.75,323 0.83,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.81,330 83.5,331 598,332 4.594,333 3.613,334 7.139,335 4.35,336 3.366,337 4.54,338 1.656,339 11.836,340 3.316,341 4.578,342 3.536,343 6.702,344 4.127,345 3.145,346 4.211,347 0.86,348 10.879,349 3.09,350 4.199,351 3.227,352 6.493,353 3.921,354 2.963,355 3.597,356 0.86,357 10.131,358 2.833,359 3.865,360 3.067,361 5.74,362 3.496,363 2.54,364 3.226,365 0.8,366 7.766,367 2.449,368 3.751,369 2.893,370 5.388,371 3.436,372 2.505,373 3.142,374 0.247,375 6.968,376 2.325,377 3.541,378 2.607,379 5.339,380 3.358,381 2.387,382 2.819,384 6.89,385 2.29,386 3.493,387 2.558,388 5.051,389 3.117,390 2.149,391 2.652,393 6.04,394 2.068,395 3.333,396 2.177,397 4.897,398 2.913,399 1.937,400 2.516,402 5.529,403 1.887,404 3.228,405 2.106,406 4.668,407 2.794,408 1.8,409 2.453,411 4.897,412 1.783,413 2.784,414 2.025,415 4.433,416 2.444,417 1.557,418 1.922,420 3.995,421 1.373,422 2.669,423 1.571,424 3.952,425 2.293,426 1.327,427 1.71,429 3.269,430 1.286,431 2.6,432 1.484,433 3.81,434 2.267,435 1.289,436 1.609,438 2.868,439 1.251,440 2.5,441 1.287,442 3.647,443 2.093,444 1.173,445 1.5,447 2.824,448 1.07,449 2.471,450 1.256,451 3.596,452 2,453 1,454 1.461,456 2.727,457 1,458 2.387,459 1.078,460 3.414,461 1.952,462 1,463 1.337,465 2.275,466 0.946,467 18.5,468 0.474,469 1.069,470 0.027,471 48.25,472 1.237,473 23,474 0.59,475 25.25,476 0.647,477 39.35,478 1.009,479 42.7,480 0.562,481 40.967,482 1.05,483 9.39,484 0.241,485 9.385,486 0.241,487 0.126,488 0.027,489 0.286,493 0.823,494 1.355,495 0.848,496 1.168,497 0.701,498 1.032,499 1.066,500 1.074,501 0.877,502 0.93,503 0.65,504 0.888,505 1.194,506 1.173,507 1.133,508 1.094,509 0.997,510 1.101,511 0.848,512 1.07,513 0.894,514 0.991,515 0.789,516 0.946,517 1.337,518 0.979,519 0.964,520 0.871,521 1.263,522 0.863,523 1.433,524 1.037,525 1.075,526 0.924,527 1.478,528 0.939,529 0.944,530 1.197,531 1.016,532 1.117,533 1.482,534 1.078,535 1.284,536 0.945,537 1.167,538 0.976,539 2.046,540 1.041,541 8.5,542 0.325,543 4.444,544 2.438,545 2.225,546 1.507,547 1.122,548 0.646,549 0.637,550 0.365,551 26024,552 58050,553 2.088,554 48.7,555 12,556 23,559 2,564 1.794,565 1.958,566 3.818,567 0.111,574 112.148,575 1.476,576 3.506,577 4.582,578 5.139,579 5.3,580 5.326,581 3.329,582 4.785,583 5.253,584 4.051,585 3002.02,586 9.269,587 52076,592 474.842,593 1.496,594 5.213,595 0.198,596 0.007,597 0.073,598 0.04,599 0.038,600 0.026,601 0.02,602 0.011,603 0.012,604 0.007,605 0.431,606 0.17,607 0.75,608 0.651,609 220.011,610 0.029,611 -0.126,612 0.071,613 -0.067,614 -0.056,615 -0.005,616 0.06,617 0.049,618 0.102,619 0.09,620 0.119,621 0.094,622 -0.074,623 -0.076,624 -0.149,625 -0.098,626 -0.071,627 -0.131,628 0.045,629 -0.067,630 0.091,631 -0.024,632 0.071,633 0.032,634 -0.034,635 0.03,636 0.066,637 0.065,638 0.065,639 0.078,640 -0.118,641 0.032,642 -0.06,643 0.044,644 -0.046,645 0.01,646 0.049,647 -0.131,648 -0.043,649 -0.107,650 0.091,651 -0.089,652 -0.195,653 0.079,654 -0.175,655 0.005,656 -0.305,657 -0.068,658 2.005,659 6.244,660 0.692,661 51.546,662 0.995,663 1.128,664 3.837,665 14.725,666 0.652,667 3.784,668 4.127,669 4.369,670 4.635,671 4.89,672 4.977,673 5.075,674 5.165,675 5.313,676 5.366,677 8.816,678 0.614,679 527.73,680 3.784,681 5.342,682 6.188,683 7.074,684 7.942,685 8.832,686 9.711,687 10.604,688 11.488,689 12.383,690 6.6,693 1,697 2,698 1,700 1,705 2,706 11,707 1,711 6,712 1,713 22,730 1,732 76,734 23,735 3,736 43,738 80,739 31,740 19,741 6,742 10,745 5,746 6,750 1,751 4,752 1,759 20,760 11,763 1,768 1,772 1,778 37,779 7,780 2,781 8,787 5,792 0.8,793 3,800 1,808 1,809 4,813 1,831 1,834 1,835 4,839 4,843 39,851 6,853 2,854 2,857 1,858 1,867 3.9,870 1,871 1,872 1,874 19.917,875 14.767,876 8.389,877 4.573,878 4.045,879 1.479,880 0.975,881 8.336,882 12.497,883 4.025,884 4.627,885 5.201,886 5.808,887 6.349,888 6.657,889 7.013,890 7.346,891 7.713,892 7.802,893 1,894 61,895 14.458,897 6.092,898 7.583,899 28.075,901 23.074,903 2.083,904 81.25,908 411.989,909 188.083,910 57.585,912 47.145,915 188.083,916 459.133,917 57.585,918 35.301,919 56.116,920 104.239,921 52.808,922 40.074,923 4.276,924 411.989,926 411.989,927 245.668,928 47.145,931 411.989,932 36.145,933 11,935 101.402,936 127.603,937 16.663,939 411.989,940 104.73,941 188.083,944 411.989,945 48.543,946 144.44,947 36.022,948 63.808,949 411.989,950 104.73,951 188.083,953 0.586,954 0.329,955 0.176,956 0.103,957 29,958 13,959 0.1,960 8,961 1,962 1.074,963 4.894,964 385.073,965 0.074,966 27,967 193.376,973 27.35,974 11.887,975 6.683,976 1.871,977 102.954,978 21.784,979 4.812,983 5.055,984 1.781,985 36.022,986 704.801,987 55,992 13.244,996 -0.338,998 75.629,999 85.763,1000 0.236,1001 0.561,1002 0.733,1003 0.822,1004 0.848,1005 0.853,1006 5.281,1007 1.937,1008 6.196,1009 6.04,1010 4.812,1011 5.316,1012 2.274,1013 7.029,1014 4.737,1015 6.494,1016 1.8,1017 7.772,1018 5.529,1019 4.511,1020 5.182,1021 1.305,1022 8.116,1023 4.43,1024 7.813,1025 1.557,1026 9.458,1027 4.897,1028 6.46,1029 7.526,1030 2.627,1031 11.162,1032 6.326,1033 9.168,1034 1.327,1035 11.212,1036 3.995,1037 6.976,1038 8.228,1039 2.354,1040 13.082,1041 6.845,1042 10.558,1043 1.289,1044 13.012,1045 3.269,1046 8.428,1047 10.072,1048 3.315,1049 15.702,1050 8.256,1051 11.972,1052 1.173,1053 14.844,1054 2.868,1055 9.309,1056 11.176,1057 3.414,1058 17.936,1059 9.137,1060 13.406,1061 1,1062 16.699,1063 2.824,1064 10.577,1065 12.813,1066 4.177,1067 20.428,1068 10.378,1069 3.366,1070 1,1071 18.572,1072 2.727,1073 11.623,1074 14.116,1075 4.466,1076 22.783,1077 11.419,1078 3.145,1079 11.836,1080 20.459,1081 2.275,1082 12.826,1083 15.665,1084 5.117,1085 25.235,1086 12.603,1087 2.963,1088 10.879,1089 22.356,1090 4.54,1091 13.946,1092 17.066,1093 5.504,1094 27.64,1095 13.716,1096 2.54,1097 10.131,1098 24.263,1099 4.211,1100 15.13,1101 18.579,1102 6.093,1103 30.083,1104 14.884,1105 2.505,1106 7.766,1107 26.176,1108 3.597,1109 16.285,1110 20.028,1111 6.531,1112 32.509,1113 16.029,1114 2.387,1115 6.968,1116 28.094,1117 3.226,1118 17.466,1119 21.529,1120 7.084,1121 34.951,1122 17.197,1123 2.149,1124 6.89,1125 30.018,1126 3.142,1127 18.638,1128 23.001,1129 7.551,1130 37.389,1131 18.358,1132 24443,1133 36729,1134 28.72,1135 49.574,1136 65.312,1137 66.112,1138 65.558,1139 64.61,1140 64.651,1141 82.321,1142 8.846,1143 187.972,1144 62.139,1145 5.594,1146 5.613,1147 6.941,1148 5.453,1149 5.366,1150 7.54,1151 2.912,1152 19.07,1153 5.316,1154 19.333,1155 1.519,1156 1.537,1157 1.525,1158 1.503,1159 1.504,1160 1.914,1161 0.206,1162 4.371,1163 1.445,1164 4.112,1165 4.142,1166 4.073,1167 4.047,1168 7.431,1169 4.048,1170 4.037,1171 4.073,1172 4,1173 3.922,1174 4.985,1175 3.933,1176 3.82,1177 3.869,1178 3.743,1179 3.737,1180 4.932,1181 3.734,1182 3.807,1183 3.859,1184 3.685,1185 3.586,1186 4.647,1187 3.601,1188 3.593,1189 3.656,1190 3.496,1191 3.417,1192 4.629,1193 3.424,1194 3.5,1195 3.546,1196 3.392,1197 3.374,1198 4.501,1199 3.374,1200 3.427,1201 3.478,1202 3.321,1203 3.194,1204 4.288,1205 3.213,1206 3.289,1207 3.343,1208 3.166,1209 3.059,1210 4.219,1211 3.081,1212 0.107,1213 0.084,1214 0.166,1215 0.101,1216 0.078,1217 4.594,1218 0.106,1219 3.613,1220 0.039,1221 7.139,1222 0.275,1223 4.35,1224 0.077,1225 3.366,1226 4.54,1227 1.656,1228 11.836,1229 3.316,1230 2.066,1231 2.051,1232 2.137,1233 2.136,1234 1.294,1235 2.136,1236 1.925,1237 1.894,1238 2.04,1239 2.032,1240 1.249,1241 2.033,1242 1.784,1243 1.737,1244 1.992,1245 1.982,1246 1.211,1247 1.977,1248 1.735,1249 1.673,1250 1.955,1251 1.919,1252 1.145,1253 1.946,1254 1.523,1255 1.477,1256 1.687,1257 1.765,1258 0.925,1259 1.73,1260 1.46,1261 1.413,1262 1.645,1263 1.656,1264 0.825,1265 1.662,1266 1.353,1267 1.295,1268 1.598,1269 1.576,1270 0.72,1271 1.584,1272 1.222,1273 1.154,1274 1.513,1275 1.464,1276 0.689,1277 1.472,1278 4.466,1280 5.802,1281 2.398,1282 7.323,1283 4.727,1284 8.929,1285 6.862,1286 10.581,1288 8.366,1294 4.856,1296 6.053,1297 11.589,1300 2.346,1301 -0.17,1305 46.68,1306 112.148,1307 266.431,1308 348.22,1309 390.539,1310 402.803,1311 404.803,1312 68.386,1313 8.452,1314 80.65,1315 80.65,1316 29,1317 12.911,1318 4.585,1319 3.7,1320 61.501,1321 207,1322 229,1323 0.142,1324 284.925,1325 491.79,1326 686.977,1327 65902,1329 27.407,1330 0.703,1331 0.594,1332 27.407,1333 23.16,1334 18.775,1335 0.437,1336 0.314,1337 13.293,1338 18.05,1339 12.824,1340 10.687,1341 18.775,1342 13.481,1343 17.699,1344 0.29,1345 0.18,1346 17.699,1347 10.951,1348 13.957,1349 0.179,1350 0.088,1351 13.957,1352 6.899,1353 11.568,1354 0.113,1355 0.045,1356 11.568,1357 4.605,1358 9.739,1359 0.074,1360 0.024,1361 9.739,1362 3.204,1363 0.228,1364 117.51,1365 0.187,1366 35.501,1367 0.379,1368 208,1369 552.808,1370 227.848,1371 532.378,1372 740.08,1373 502,1374 243,1375 556.217,1376 263.768,1377 563.342,1378 824.66,1379 529,1380 4.523}
{0 CHEMBL105477,1 1.501,2 10.947,3 3.527,4 12.44,5 149.335,6 7.207,7 0.465,8 4.367,9 4.49,10 3.921,11 3.892,12 5.395,13 3.873,14 4.947,15 5.135,16 4.295,17 4.322,18 5.931,19 4.287,20 5.189,21 5.388,22 4.395,23 4.527,24 6.144,25 4.454,26 5.366,27 5.59,28 4.491,29 4.636,30 6.333,31 4.543,32 5.492,33 5.737,34 4.571,35 4.662,36 6.441,37 4.59,38 5.45,39 5.65,40 4.634,41 4.736,42 6.494,43 4.665,44 5.587,45 5.811,46 4.616,47 4.794,48 6.575,49 4.697,50 5.614,51 5.856,52 4.56,53 4.763,54 6.565,55 4.659,56 0.02,57 1.071,58 15.237,59 6.358,60 8.683,61 8.638,62 0.418,63 1.786,64 30.402,65 10.238,66 31.556,67 14.44,68 0.481,69 2.163,70 39.125,71 14.835,72 36.156,73 20.401,74 0.308,75 2.512,76 47.245,77 18.338,78 67.336,79 26.023,80 0.779,81 2.755,82 56.75,83 18.499,84 71.584,85 26.402,86 0.632,87 2.754,88 51.347,89 18.8,90 67.939,91 25.99,92 0.51,93 3.058,94 60.187,95 21.783,96 87.544,97 30.48,98 0.873,99 3.063,100 63.943,101 21.482,102 104.486,103 30.336,104 17,105 62,106 0.232,107 0.53,108 0.661,109 0.738,110 0.746,111 0.746,112 3.669,113 0.923,114 -3.12,115 -3.12,116 -3,119 42.3,124 2,125 8,136 2,142 8,143 4,151 2,152 2,158 2,172 13,175 8,178 2,180 2,183 14,187 4,188 10,193 2,196 13,199 1,200 8,205 2,208 10,212 2,213 12,216 2,218 2,221 9,224 5,225 14,230 4,233 8,237 1,238 12,243 2,246 7,249 2,250 14,253 2,258 6,262 4,263 10,271 6,275 2030,276 26.051,277 26.051,278 26.051,279 26.051,280 26.051,281 23.385,282 24.76,283 15.363,284 26.647,285 21.269,286 21.269,287 21.269,288 21.269,289 21.269,290 16.96,291 24.927,292 7.338,293 22.154,294 4.648,295 2.716,296 1.867,297 1.373,298 1.317,299 1.317,300 4.385,305 1,306 926,307 2.646,310 116.544,311 102.315,314 147.558,318 0.909,319 33.222,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 81.5,331 416,332 4.825,333 3.839,334 7.187,335 4.422,336 3.429,337 4.714,338 1.2,339 12.66,340 3.405,341 4.639,342 3.32,343 6.82,344 4.167,345 3.195,346 4.601,347 0.86,348 11.317,349 3.111,350 4.357,351 3.217,352 6.535,353 3.917,354 2.941,355 3.942,356 0.8,357 10.244,358 2.866,359 3.6,360 3.155,361 5.878,362 3.326,363 2.402,364 2.919,365 0.8,366 7.846,367 2.26,368 3.502,369 2.769,370 5.463,371 3.321,372 2.391,373 2.8,374 0.8,375 6.711,376 2.206,377 3.432,378 2.704,379 5.237,380 3.2,381 2.222,382 2.728,384 6.209,385 2.147,386 3.364,387 2.461,388 5.058,389 3.023,390 2.063,391 2.628,393 6.057,394 1.975,395 3.294,396 2.232,397 5.007,398 2.916,399 1.952,400 2.363,402 5.755,403 1.866,404 3.273,405 2.192,406 4.925,407 2.879,408 1.899,409 2.324,411 5.421,412 1.848,413 3.149,414 2.026,415 4.74,416 2.678,417 1.648,418 2.307,420 4.649,421 1.685,422 2.844,423 1.911,424 4.39,425 2.457,426 1.58,427 1.92,429 3.645,430 1.38,431 2.691,432 1.452,433 3.771,434 2.325,435 1.329,436 1.773,438 3.282,439 1.319,440 2.66,441 1.281,442 3.727,443 2.222,444 1.235,445 1.686,447 2.829,448 1.217,449 2.563,450 1.232,451 3.593,452 2.141,453 1.166,454 1.56,456 2.801,457 1.132,458 2.399,459 1.152,460 3.592,461 2.021,462 1.03,463 1.351,465 2.568,466 1.018,467 18,468 0.474,469 0.922,470 0.024,471 46.5,472 1.224,473 20.5,474 0.539,475 26,476 0.684,477 38.942,478 1.025,479 40.8,480 0.575,481 42.997,482 1.131,483 9.454,484 0.249,485 9.054,486 0.238,487 0.093,489 0.367,493 0.774,494 1.483,495 0.791,496 1.155,497 0.542,498 0.999,499 1.152,500 0.924,501 0.931,502 0.76,503 0.588,504 0.786,505 0.949,506 0.923,507 0.986,508 0.958,509 0.838,510 0.972,511 0.606,512 1.196,513 0.838,514 1.124,515 0.498,516 1.032,517 1.184,518 0.862,519 0.875,520 0.777,521 0.899,522 0.778,523 1.026,524 1.069,525 0.995,526 1.046,527 1.128,528 1.022,529 1.071,530 1.155,531 1.042,532 1.132,533 1.257,534 1.093,535 1.228,536 0.935,537 1.074,538 0.951,539 1.332,540 0.984,541 6,542 0.221,543 4.222,544 3.722,545 2.074,546 1.834,547 1.544,548 0.877,549 0.768,550 0.487,551 19871,552 45908,553 2.159,554 46.5,556 30,557 2,559 1,564 1.798,565 2.036,566 3.415,567 -0.4,574 106.596,575 1.501,576 3.434,577 4.283,578 4.776,579 4.833,580 4.833,581 2.189,582 4.301,583 5.233,584 3.458,585 2431.28,586 9.273,587 38128.9,592 436.632,593 1.36,594 5.187,595 0.14,596 0.005,597 0.068,598 0.056,599 0.029,600 0.024,601 0.019,602 0.011,603 0.01,604 0.007,605 0.368,606 0.5,607 0.75,608 0.48,609 203.934,610 -0.009,611 -0.277,612 0.08,613 -0.098,614 -0.016,615 -0.015,616 -0.095,617 0.233,618 0.026,619 0.209,620 0.032,621 0.153,622 -0.008,623 0.144,624 -0.04,625 0.055,626 -0.025,627 0.012,628 0.125,629 -0.194,630 0.103,631 -0.098,632 0.205,633 -0.015,634 -0.023,635 0.138,636 0.14,637 0.177,638 0.039,639 0.182,640 0.033,641 -0.02,642 -0.031,643 -0.045,644 0.012,645 -0.048,646 -0.067,647 -0.155,648 -0.068,649 -0.136,650 -0.05,651 -0.108,652 -0.083,653 0.053,654 -0.066,655 0.013,656 -0.116,657 -0.018,658 2.01,659 6.342,660 0.895,661 26.85,662 0.998,663 1.126,664 1.893,665 3.584,666 0.663,667 3.784,668 4.143,669 4.489,670 4.852,671 5.124,672 5.333,673 5.583,674 5.784,675 5.897,676 6.033,677 6.499,678 0.629,679 511.68,680 3.784,681 5.352,682 6.236,683 7.149,684 8.061,685 8.987,686 9.913,687 10.847,688 11.782,689 12.721,690 7,693 2,697 1,698 2,705 4,706 10,711 2,712 2,713 20,732 71,734 23,735 2,736 43,738 76,739 30,740 16,741 4,742 8,743 4,745 6,746 25,759 20,760 10,763 3,768 2,772 4,778 33,779 6,780 1,781 8,787 5,789 1,792 0.167,793 3,804 2,808 3,809 2,812 2,828 2,831 2,834 1,835 1,839 2,843 38,851 8,853 1,854 1,857 2,867 4.2,870 2,871 1,874 18.667,875 13.383,876 8.222,877 4.338,878 4.433,879 1.463,880 1.024,881 6.933,882 14.015,883 4.043,884 4.677,885 5.36,886 6.055,887 6.637,888 7.103,889 7.642,890 8.127,891 8.446,892 8.883,893 0.444,894 67,895 14.175,897 6.187,898 7.623,899 27.515,901 23.351,903 2.123,904 80.667,908 376.675,909 164.102,910 28.058,912 61.29,915 164.102,916 437.965,917 28.058,918 16.793,919 39.83,920 93.905,921 70.699,922 27.935,923 27.83,924 353.133,926 376.675,927 192.16,928 61.29,931 376.675,932 50.29,933 11,935 49.877,936 142.283,939 376.675,940 89.347,941 164.102,944 376.675,945 53.405,946 120.744,947 18.011,948 61.29,949 376.675,950 89.347,951 164.102,953 0.584,954 0.348,955 0.201,956 0.115,957 32,958 14,961 7,962 1.353,963 4.488,964 418.647,965 0.412,966 32,967 163.421,973 25.079,974 10.505,975 4.751,976 4.031,977 85.549,978 20.267,983 1.582,984 4.379,985 18.011,986 630.125,987 56,992 26.684,996 0.212,998 70.861,999 79.933,1000 0.244,1001 0.558,1002 0.696,1003 0.777,1004 0.786,1005 0.786,1006 5.308,1007 1.952,1008 6.232,1009 6.057,1010 4.828,1011 5.366,1012 2.147,1013 7.109,1014 4.761,1015 6.526,1016 1.899,1017 7.824,1018 5.755,1019 4.443,1020 5.278,1021 0.57,1022 8.141,1023 4.36,1024 7.856,1025 1.648,1026 9.523,1027 5.421,1028 6.469,1029 7.652,1030 2.077,1031 11.331,1032 6.353,1033 9.229,1034 1.58,1035 11.286,1036 4.649,1037 6.957,1038 8.481,1039 0.479,1040 13.265,1041 6.841,1042 10.644,1043 1.329,1044 13.094,1045 3.645,1046 8.446,1047 10.33,1048 2.18,1049 15.98,1050 8.305,1051 12.09,1052 1.235,1053 14.932,1054 3.282,1055 9.337,1056 11.569,1057 0.346,1058 18.264,1059 9.2,1060 13.56,1061 1.166,1062 16.794,1063 2.829,1064 10.629,1065 13.22,1066 2.386,1067 20.832,1068 10.475,1069 3.429,1070 1.03,1071 18.674,1072 2.801,1073 11.7,1074 14.633,1075 0.237,1076 23.252,1077 11.547,1078 3.195,1079 12.66,1080 20.568,1081 2.568,1082 12.925,1083 16.21,1084 2.657,1085 25.775,1086 12.761,1087 2.941,1088 11.317,1089 22.473,1090 4.714,1091 14.073,1092 17.694,1093 0.158,1094 28.248,1095 13.907,1096 2.402,1097 10.244,1098 24.386,1099 4.601,1100 15.279,1101 19.243,1102 2.967,1103 30.762,1104 15.105,1105 2.391,1106 7.846,1107 26.307,1108 3.942,1109 16.459,1110 20.757,1111 0.104,1112 33.259,1113 16.281,1114 2.222,1115 6.711,1116 28.233,1117 2.919,1118 17.663,1119 22.298,1120 3.299,1121 35.772,1122 17.478,1123 2.063,1124 6.209,1125 30.164,1126 2.8,1127 18.859,1128 23.825,1129 0.068,1130 38.282,1131 18.67,1132 18361,1133 28130,1134 29.244,1135 47.052,1136 65.956,1137 67.483,1138 67.621,1139 65.538,1140 65.543,1141 84.671,1142 8.92,1143 195.093,1144 63.261,1145 5.795,1146 5.839,1147 6.961,1148 5.505,1149 5.429,1150 7.714,1151 2.4,1152 20.497,1153 5.405,1154 16.269,1155 1.534,1156 1.569,1157 1.573,1158 1.524,1159 1.524,1160 1.969,1161 0.207,1162 4.537,1163 1.471,1164 4.209,1165 4.237,1166 4.179,1167 4.127,1168 7.45,1169 4.136,1170 4.1,1171 4.134,1172 4.063,1173 4.014,1174 7.408,1175 4.022,1176 3.781,1177 3.832,1178 3.743,1179 3.63,1180 4.954,1181 3.651,1182 3.74,1183 3.777,1184 3.62,1185 3.538,1186 4.886,1187 3.548,1188 3.665,1189 3.745,1190 3.531,1191 3.469,1192 4.597,1193 3.473,1194 3.477,1195 3.537,1196 3.354,1197 3.288,1198 4.339,1199 3.298,1200 3.415,1201 3.482,1202 3.3,1203 3.265,1204 4.311,1205 3.266,1206 3.277,1207 3.344,1208 3.137,1209 3.062,1210 4.179,1211 3.071,1212 0.112,1213 0.089,1214 0.167,1215 0.103,1216 0.08,1217 4.825,1218 0.11,1219 3.839,1220 0.028,1221 7.187,1222 0.294,1223 4.422,1224 0.079,1225 3.429,1226 4.714,1227 1.2,1228 12.66,1229 3.405,1230 1.964,1231 1.946,1232 2.047,1233 2.042,1234 1.244,1235 2.044,1236 1.932,1237 1.906,1238 2.032,1239 2.04,1240 1.237,1241 2.039,1242 1.761,1243 1.72,1244 1.929,1245 1.931,1246 1.17,1247 1.935,1248 1.713,1249 1.647,1250 1.916,1251 1.929,1252 1.133,1253 1.93,1254 1.585,1255 1.523,1256 1.753,1257 1.773,1258 0.987,1259 1.771,1260 1.532,1261 1.478,1262 1.738,1263 1.751,1264 0.975,1265 1.748,1266 1.32,1267 1.266,1268 1.563,1269 1.613,1270 0.802,1271 1.56,1272 1.307,1273 1.254,1274 1.554,1275 1.514,1276 0.661,1277 1.528,1278 4.466,1280 5.814,1281 3.434,1282 7.347,1283 5.938,1284 8.972,1285 8.138,1286 10.655,1288 4.201,1294 6.268,1296 2.595,1297 5.926,1300 4.521,1305 44.627,1306 106.596,1307 243.795,1308 304.103,1309 339.122,1310 343.122,1311 343.122,1312 67.021,1313 9.583,1314 75.5,1315 75.5,1316 46,1317 13.219,1318 4.585,1319 3.807,1320 52.491,1321 163,1322 107,1323 0.167,1324 267.939,1325 462.13,1326 645.532,1327 261518,1329 26.225,1330 0.69,1331 0.577,1332 26.225,1333 21.944,1334 18.508,1335 0.43,1336 0.308,1337 13.014,1338 17.749,1339 12.688,1340 10.442,1341 18.508,1342 13.223,1343 16.892,1344 0.272,1345 0.165,1346 16.892,1347 10.259,1348 14.656,1349 0.167,1350 0.088,1351 14.656,1352 7.727,1353 13.08,1354 0.103,1355 0.044,1356 13.08,1357 5.554,1358 10.945,1359 0.066,1360 0.024,1361 10.945,1362 3.969,1363 0.254,1364 116.155,1365 0.185,1366 33.107,1367 0.486,1368 210,1369 560.12,1370 227.687,1371 538.926,1372 747.5,1373 508,1374 255,1375 553.022,1376 274.467,1377 563.449,1378 838.14,1379 530,1380 5.807}
{0 CHEMBL106384,1 1.501,2 10.974,3 3.527,4 12.44,5 149.335,6 7.207,7 0.465,8 4.367,9 4.49,10 3.921,11 3.892,12 5.395,13 3.873,14 4.947,15 5.135,16 4.295,17 4.322,18 5.931,19 4.287,20 5.189,21 5.388,22 4.395,23 4.527,24 6.144,25 4.454,26 5.366,27 5.59,28 4.491,29 4.636,30 6.333,31 4.543,32 5.491,33 5.737,34 4.574,35 4.661,36 6.44,37 4.59,38 5.458,39 5.66,40 4.621,41 4.728,42 6.5,43 4.655,44 5.604,45 5.839,46 4.596,47 4.77,48 6.575,49 4.671,50 5.596,51 5.84,52 4.543,53 4.728,54 6.56,55 4.63,56 0.02,57 1.071,58 15.237,59 6.358,60 8.683,61 8.638,62 0.418,63 1.786,64 30.402,65 10.238,66 31.556,67 14.44,68 0.481,69 2.163,70 39.125,71 14.835,72 36.156,73 20.401,74 0.308,75 2.512,76 47.245,77 18.338,78 67.283,79 26.023,80 0.742,81 2.761,82 56.541,83 18.422,84 68.637,85 26.433,86 0.597,87 2.753,88 51.872,89 19.071,90 68.586,91 26.229,92 0.567,93 3.037,94 62.334,95 22.087,96 93.111,97 30.988,98 1.028,99 2.978,100 63.547,101 20.654,102 116.021,103 29.224,104 17,105 62,106 0.232,107 0.53,108 0.664,109 0.765,110 0.812,111 0.851,112 3.669,113 0.923,114 -3.12,115 -3.12,116 -3,119 42.3,124 2,125 8,136 2,142 8,143 4,151 2,152 2,158 2,172 13,175 8,178 2,180 2,183 14,187 4,188 10,193 2,196 13,199 1,200 8,205 2,208 10,212 2,213 12,216 2,218 2,221 9,224 5,225 14,230 4,233 8,237 1,238 12,243 2,246 7,249 2,250 14,253 2,258 6,262 4,263 10,271 6,275 1986,276 26.051,277 26.051,278 26.051,279 26.051,280 26.051,281 23.385,282 24.76,283 15.363,284 26.647,285 21.269,286 21.269,287 21.269,288 21.269,289 21.269,290 16.96,291 25.181,292 7.336,293 22.154,294 4.648,295 2.716,296 1.849,297 1.197,298 0.895,299 0.641,300 4.385,305 1,306 928,307 2.646,310 117.543,311 102.362,314 147.693,318 0.877,319 33.347,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 81.5,331 417,332 4.825,333 3.839,334 7.187,335 4.421,336 3.429,337 4.714,338 1.2,339 12.66,340 3.405,341 4.638,342 3.32,343 6.82,344 4.167,345 3.195,346 4.601,347 0.86,348 11.317,349 3.111,350 4.357,351 3.216,352 6.535,353 3.916,354 2.941,355 3.942,356 0.8,357 10.243,358 2.865,359 3.598,360 3.154,361 5.878,362 3.396,363 2.476,364 2.918,365 0.8,366 7.842,367 2.281,368 3.507,369 2.817,370 5.46,371 3.261,372 2.296,373 2.797,374 0.8,375 6.693,376 2.23,377 3.433,378 2.612,379 5.232,380 3.148,381 2.206,382 2.725,384 6.358,385 2.061,386 3.389,387 2.485,388 5.132,389 3.049,390 2.089,391 2.628,393 5.978,394 1.996,395 3.331,396 2.31,397 4.968,398 2.933,399 1.966,400 2.457,402 5.678,403 1.895,404 3.186,405 2.157,406 4.884,407 2.878,408 1.901,409 2.307,411 5.428,412 1.837,413 3.149,414 2.008,415 4.743,416 2.678,417 1.648,418 2.206,420 4.654,421 1.685,422 2.844,423 1.908,424 4.392,425 2.473,426 1.586,427 1.922,429 3.657,430 1.402,431 2.723,432 1.452,433 3.818,434 2.325,435 1.329,436 1.791,438 3.324,439 1.319,440 2.671,441 1.284,442 3.717,443 2.217,444 1.231,445 1.712,447 2.827,448 1.211,449 2.565,450 1.237,451 3.594,452 2.132,453 1.16,454 1.562,456 2.783,457 1.122,458 2.385,459 1.143,460 3.585,461 2.019,462 1.03,463 1.335,465 2.552,466 1.016,467 18,468 0.474,469 0.922,470 0.024,471 46.5,472 1.224,473 20.5,474 0.539,475 26,476 0.684,477 38.916,478 1.024,479 40.8,480 0.575,481 42.909,482 1.129,483 9.454,484 0.249,485 9.054,486 0.238,487 0.093,489 0.367,493 0.774,494 1.483,495 0.791,496 1.155,497 0.542,498 0.999,499 1.152,500 0.924,501 0.931,502 0.76,503 0.588,504 0.786,505 0.949,506 0.923,507 0.986,508 0.958,509 0.838,510 0.972,511 0.606,512 1.196,513 0.838,514 1.124,515 0.497,516 1.032,517 1.121,518 0.853,519 0.863,520 0.79,521 0.869,522 0.781,523 1.052,524 1.069,525 1.015,526 1.087,527 1.126,528 1.053,529 1.118,530 1.106,531 0.998,532 1.075,533 1.251,534 1.032,535 1.318,536 0.901,537 1.063,538 0.872,539 1.354,540 0.923,541 6,542 0.237,543 4.222,544 3.722,545 2.154,546 1.834,547 1.406,548 0.854,549 0.729,550 0.552,551 19955,552 45908,553 2.159,554 46.5,556 30,557 2,559 1,564 1.798,565 2.036,566 3.415,567 -0.4,574 106.596,575 1.501,576 3.434,577 4.301,578 4.952,579 5.255,580 5.509,581 2.1,582 5.07,583 5.233,584 3.463,585 2434.18,586 9.271,587 38272.4,592 436.632,593 1.36,594 5.187,595 0.14,596 0.005,597 0.068,598 0.056,599 0.03,600 0.024,601 0.017,602 0.011,603 0.01,604 0.008,605 0.368,606 0.5,607 0.75,608 0.48,609 204.086,610 -0.009,611 -0.277,612 0.08,613 -0.098,614 -0.016,615 -0.015,616 -0.095,617 0.233,618 0.026,619 0.209,620 0.032,621 0.153,622 -0.008,623 0.144,624 -0.04,625 0.055,626 -0.025,627 0.012,628 0.125,629 -0.194,630 0.103,631 -0.098,632 0.206,633 -0.015,634 -0.003,635 0.155,636 0.148,637 0.163,638 0.056,639 0.178,640 0.024,641 -0.028,642 -0.048,643 -0.086,644 0.015,645 -0.079,646 -0.057,647 -0.133,648 -0.006,649 -0.086,650 -0.039,651 -0.047,652 -0.072,653 0.079,654 -0.041,655 0.083,656 -0.095,657 0.034,658 2.019,659 6.326,660 0.895,661 26.737,662 0.998,663 1.126,664 1.893,665 3.584,666 0.663,667 3.784,668 4.143,669 4.489,670 4.852,671 5.124,672 5.323,673 5.568,674 5.765,675 5.883,676 6.023,677 6.528,678 0.629,679 511.68,680 3.784,681 5.352,682 6.236,683 7.149,684 8.061,685 8.987,686 9.912,687 10.846,688 11.78,689 12.719,690 7,693 2,697 1,698 2,705 4,706 10,711 2,712 2,713 20,732 71,734 23,735 2,736 43,738 76,739 30,740 16,741 4,742 8,743 4,745 6,746 25,759 20,760 10,763 3,768 2,772 4,778 33,779 6,780 1,781 8,787 5,789 1,792 0.167,793 3,804 2,808 3,809 2,812 2,828 2,831 2,834 1,835 1,839 2,843 38,851 8,853 1,854 1,857 2,867 4.2,870 2,871 1,874 18.667,875 13.383,876 8.222,877 4.337,878 4.433,879 1.463,880 1.024,881 6.933,882 14.015,883 4.043,884 4.677,885 5.36,886 6.055,887 6.636,888 7.098,889 7.635,890 8.117,891 8.437,892 8.874,893 0.444,894 67,895 14.176,897 6.188,898 7.623,899 27.515,901 23.351,903 2.123,904 80.667,908 376.675,909 164.102,910 28.058,912 61.29,915 164.102,916 437.965,917 28.058,918 16.793,919 39.83,920 93.905,921 70.699,922 27.935,923 27.83,924 353.133,926 376.675,927 192.16,928 61.29,931 376.675,932 50.29,933 11,935 49.877,936 142.283,939 376.675,940 89.347,941 164.102,944 376.675,945 53.405,946 120.744,947 18.011,948 61.29,949 376.675,950 89.347,951 164.102,953 0.584,954 0.348,955 0.202,956 0.116,957 32,958 14,961 7,962 1.353,963 4.493,964 417.997,965 0.412,966 32,967 199.421,973 25.079,974 10.505,975 4.751,976 3.992,977 85.549,978 20.192,983 1.563,984 4.332,985 18.011,986 630.125,987 56,992 26.639,996 0.177,998 70.861,999 79.933,1000 0.244,1001 0.558,1002 0.699,1003 0.805,1004 0.855,1005 0.896,1006 5.308,1007 1.966,1008 6.232,1009 5.978,1010 4.828,1011 5.366,1012 2.147,1013 7.109,1014 4.761,1015 6.526,1016 1.901,1017 7.824,1018 5.678,1019 4.443,1020 5.278,1021 0.57,1022 8.141,1023 4.36,1024 7.856,1025 1.648,1026 9.523,1027 5.428,1028 6.469,1029 7.652,1030 2.077,1031 11.331,1032 6.353,1033 9.229,1034 1.586,1035 11.286,1036 4.654,1037 6.957,1038 8.481,1039 0.479,1040 13.265,1041 6.841,1042 10.644,1043 1.329,1044 13.094,1045 3.657,1046 8.446,1047 10.33,1048 2.18,1049 15.98,1050 8.305,1051 12.09,1052 1.231,1053 14.932,1054 3.324,1055 9.337,1056 11.569,1057 0.346,1058 18.264,1059 9.2,1060 13.56,1061 1.16,1062 16.794,1063 2.827,1064 10.629,1065 13.22,1066 2.386,1067 20.832,1068 10.475,1069 3.429,1070 1.03,1071 18.674,1072 2.783,1073 11.7,1074 14.633,1075 0.237,1076 23.251,1077 11.547,1078 3.195,1079 12.66,1080 20.568,1081 2.552,1082 12.925,1083 16.209,1084 2.657,1085 25.775,1086 12.761,1087 2.941,1088 11.317,1089 22.473,1090 4.714,1091 14.073,1092 17.694,1093 0.158,1094 28.248,1095 13.907,1096 2.476,1097 10.243,1098 24.386,1099 4.601,1100 15.278,1101 19.243,1102 2.967,1103 30.761,1104 15.104,1105 2.296,1106 7.842,1107 26.307,1108 3.942,1109 16.459,1110 20.757,1111 0.104,1112 33.258,1113 16.281,1114 2.206,1115 6.693,1116 28.233,1117 2.918,1118 17.662,1119 22.298,1120 3.299,1121 35.772,1122 17.478,1123 2.089,1124 6.358,1125 30.164,1126 2.797,1127 18.858,1128 23.825,1129 0.068,1130 38.282,1131 18.669,1132 18435,1133 28217,1134 29.244,1135 47.052,1136 65.844,1137 67.487,1138 67.637,1139 65.481,1140 65.488,1141 84.61,1142 8.92,1143 194.965,1144 63.21,1145 5.794,1146 5.839,1147 6.956,1148 5.507,1149 5.429,1150 7.714,1151 2.4,1152 20.497,1153 5.405,1154 16.33,1155 1.531,1156 1.569,1157 1.573,1158 1.523,1159 1.523,1160 1.968,1161 0.207,1162 4.534,1163 1.47,1164 4.208,1165 4.236,1166 4.178,1167 4.127,1168 7.45,1169 4.136,1170 4.099,1171 4.133,1172 4.063,1173 4.014,1174 7.408,1175 4.021,1176 3.789,1177 3.858,1178 3.743,1179 3.63,1180 4.956,1181 3.651,1182 3.756,1183 3.784,1184 3.644,1185 3.565,1186 4.888,1187 3.574,1188 3.619,1189 3.685,1190 3.484,1191 3.419,1192 4.58,1193 3.425,1194 3.514,1195 3.582,1196 3.386,1197 3.332,1198 4.349,1199 3.338,1200 3.401,1201 3.468,1202 3.284,1203 3.24,1204 4.324,1205 3.243,1206 3.28,1207 3.342,1208 3.153,1209 3.073,1210 4.215,1211 3.084,1212 0.112,1213 0.089,1214 0.167,1215 0.103,1216 0.08,1217 4.825,1218 0.11,1219 3.839,1220 0.028,1221 7.187,1222 0.294,1223 4.421,1224 0.079,1225 3.429,1226 4.714,1227 1.2,1228 12.66,1229 3.405,1230 1.963,1231 1.946,1232 2.046,1233 2.043,1234 1.26,1235 2.044,1236 1.932,1237 1.906,1238 2.031,1239 2.035,1240 1.215,1241 2.035,1242 1.758,1243 1.717,1244 1.953,1245 1.954,1246 1.169,1247 1.96,1248 1.718,1249 1.654,1250 1.88,1251 1.907,1252 1.132,1253 1.901,1254 1.583,1255 1.517,1256 1.791,1257 1.791,1258 1.031,1259 1.795,1260 1.533,1261 1.481,1262 1.723,1263 1.736,1264 0.944,1265 1.733,1266 1.336,1267 1.283,1268 1.57,1269 1.618,1270 0.802,1271 1.568,1272 1.293,1273 1.237,1274 1.542,1275 1.528,1276 0.666,1277 1.527,1278 4.466,1280 5.814,1281 3.434,1282 7.347,1283 5.938,1284 8.972,1285 8.138,1286 10.655,1288 4.269,1294 6.315,1296 2.585,1297 5.979,1300 4.625,1305 44.627,1306 106.596,1307 243.795,1308 305.348,1309 351.612,1310 373.122,1311 391.122,1312 67.139,1313 9.583,1314 75.5,1315 75.5,1316 46,1317 13.216,1318 4.585,1319 3.807,1320 52.505,1321 165,1322 121,1323 0.167,1324 267.939,1325 462.13,1326 645.532,1327 261722,1329 26.225,1330 0.69,1331 0.577,1332 26.225,1333 21.944,1334 18.508,1335 0.43,1336 0.308,1337 13.014,1338 17.749,1339 12.688,1340 10.442,1341 18.508,1342 13.223,1343 16.892,1344 0.272,1345 0.165,1346 16.892,1347 10.259,1348 14.656,1349 0.167,1350 0.088,1351 14.656,1352 7.727,1353 13.064,1354 0.103,1355 0.044,1356 13.064,1357 5.56,1358 11.029,1359 0.066,1360 0.024,1361 11.029,1362 4.033,1363 0.253,1364 116.155,1365 0.185,1366 33.129,1367 0.483,1368 210,1369 560.12,1370 227.687,1371 538.926,1372 747.5,1373 508,1374 255,1375 553.022,1376 274.467,1377 563.449,1378 838.14,1379 530,1380 6.409}
{0 CHEMBL1082440,1 1.636,2 7.182,3 1.577,4 2.486,5 87.781,6 7.43,7 0.458,8 3.852,9 3.966,10 3.602,11 3.427,12 4.807,13 3.36,14 4.444,15 4.629,16 3.909,17 3.84,18 5.605,19 3.754,20 4.74,21 4.939,22 4.135,23 4.105,24 5.724,25 3.985,26 4.931,27 5.139,28 4.141,29 4.152,30 6.034,31 4.013,32 4.902,33 5.105,34 3.92,35 4.008,36 6.155,37 3.895,38 4.751,39 5.001,40 3.491,41 3.806,42 5.851,43 3.678,44 4.467,45 4.708,46 3.283,47 3.746,48 5.21,49 3.568,50 4.555,51 4.858,52 2.916,53 3.575,54 5.252,55 3.325,56 0.072,57 0.669,58 12.495,59 4.37,60 14.089,61 5.588,62 0.33,63 1.088,64 20.456,65 7.238,66 46.522,67 9.593,68 0.202,69 1.439,70 31.894,71 11.065,72 30.048,73 13.579,74 0.406,75 1.578,76 42.807,77 13.116,78 67.944,79 15.481,80 0.562,81 1.403,82 40.448,83 12.051,84 106.788,85 14.446,86 0.629,87 1.151,88 28.436,89 8.975,90 97.933,91 12.306,92 0.057,93 1.01,94 18.731,95 8.121,96 16.046,97 11.726,98 0.132,99 1,100 22.632,101 8.108,102 27.377,103 12.214,104 17,105 35,106 0.286,107 0.601,108 0.804,109 0.87,110 0.87,111 0.87,112 3.149,113 1.127,114 -2.43,115 -2.46,116 -2.41,119 37.2,120 2,121 1,125 3,127 1,142 3,143 3,144 1,145 2,172 6,174 3,175 4,180 1,183 6,188 9,191 1,193 1,196 5,200 14,208 4,213 7,216 2,221 5,224 3,230 2,233 6,243 3,246 4,250 2,255 2,266 1,275 574,276 14.584,277 14.584,278 14.584,279 14.584,280 14.584,281 13.012,282 17.457,283 8.514,284 14.907,285 11.818,286 11.818,287 11.818,288 11.818,289 11.818,290 9.392,291 25.392,292 3.973,293 12.346,294 3.791,295 1.994,296 0.832,297 0.454,298 0.454,299 0.454,300 3.824,303 1,304 1,305 1,306 336,307 3,311 98.279,312 70.95,315 84.434,318 1.017,319 28.663,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 158,332 5.006,333 4.751,334 7.789,335 4.525,336 3.595,337 4.908,338 0.4,339 14.252,340 3.325,341 4.425,342 3.07,343 6.668,344 3.971,345 2.984,346 4.265,347 0.4,348 10.52,349 2.94,350 3.53,351 2.794,352 5.823,353 3.343,354 2.399,355 2.851,357 7.446,358 2.251,359 3.447,360 2.142,361 5.046,362 3.011,363 2.015,364 2.682,366 5.706,367 2.007,368 3.175,369 1.907,370 4.825,371 2.686,372 1.717,373 2.373,375 4.755,376 1.662,377 2.769,378 1.692,379 4.075,380 2.557,381 1.585,382 1.902,384 3.392,385 1.539,386 2.589,387 1.516,388 3.827,389 2.252,390 1.321,391 1.589,393 3.165,394 1.241,395 2.49,396 1.275,397 3.706,398 2.243,399 1.268,400 1.485,402 2.957,403 1.218,404 2.361,405 1.096,406 3.459,407 1.935,408 0.97,409 1.307,411 2.293,412 0.932,413 1.188,414 0.373,415 3,416 1.089,417 0.13,418 0.134,420 0.292,421 0.124,422 1.18,423 0.157,424 2.623,425 0.76,426 -0.213,427 -0.28,429 -0.49,430 -0.207,431 1,432 -0.032,433 2.432,434 0.678,435 -0.277,436 -0.285,438 -0.643,439 -0.263,440 0.965,441 -0.119,442 2.35,443 0.464,444 -0.503,445 -0.716,447 -1.427,448 -0.48,449 0.75,450 -0.646,451 2.272,452 0.231,453 -0.738,454 -1.052,456 -1.77,457 -0.707,458 0.701,459 -0.963,460 2,462 -1,463 -1.097,465 -2.475,466 -1,467 10.7,468 0.486,469 0.657,470 0.03,471 27,472 1.227,473 13,474 0.591,475 14,476 0.636,477 19.532,478 0.888,479 24.7,480 0.574,481 19.584,482 0.89,483 4.942,484 0.225,485 5.573,486 0.253,487 0.156,488 0.078,489 0.271,493 0.517,494 1.483,495 0.863,496 1.321,497 0.642,498 1.051,499 0.711,500 0.999,501 0.809,502 0.829,503 0.539,504 0.865,505 0.902,506 1.08,507 1.133,508 1.122,509 0.737,510 0.951,511 1.508,512 1.073,513 1.445,514 1.267,515 1.522,516 1.035,517 1.802,518 1.15,519 1.441,520 1.304,521 2.132,522 1.11,523 1.637,524 0.639,525 0.866,526 0.614,527 1.904,528 0.884,529 0.229,530 1.23,531 0.766,532 1.121,533 0.148,534 1.318,535 0.322,536 1.211,537 0.761,538 1.058,539 0.195,540 1.254,541 4.5,543 3.556,544 2.875,545 1.764,546 0.851,547 0.428,548 0.183,549 0.09,550 0.007,551 4109,552 10220,553 2.032,554 48.8,555 3,556 10,558 2,559 1,561 3,562 2,564 1.654,565 1.872,566 2.853,567 -0.265,568 1,569 1,571 1,574 70.336,575 1.636,576 3.433,577 4.594,578 4.973,579 4.973,580 4.973,581 2.204,582 3.754,583 4.437,584 2.953,585 682.077,586 7.667,587 7175.9,589 1,591 1,592 233.329,593 1.661,594 4.366,595 0.188,597 0.102,598 0.068,599 0.045,600 0.025,601 0.018,602 0.009,603 0.008,604 0.003,605 0.466,606 0.5,607 1,608 0.65,609 97.41,610 0.138,611 -0.216,612 0.248,613 -0.098,614 -0.128,615 0.013,616 0.231,617 0.144,618 0.137,619 0.166,620 0.248,621 0.108,622 -0.021,623 0.043,624 0.058,625 0.043,626 0.034,627 0.068,628 -0.184,629 -0.023,630 -0.115,631 -0.069,632 -0.073,633 -0.042,634 -0.148,635 -0.192,636 -0.245,637 -0.213,638 -0.121,639 -0.15,640 -0.192,641 0.229,642 -0.118,643 0.158,644 -0.232,645 0.022,646 0.048,647 -0.28,648 -0.141,649 -0.258,650 0.015,651 -0.29,652 0.066,653 -0.347,654 -0.076,655 -0.258,656 0.019,657 -0.27,658 4.435,659 6.194,660 0.773,661 12.818,662 1,663 1.13,664 1.196,665 1.43,666 0.661,667 3.219,668 3.584,669 3.892,670 4.174,671 4.369,672 4.394,673 4.419,674 4.431,675 4.477,676 4.317,677 4.523,678 0.614,679 319.47,680 3.219,681 4.779,682 5.652,683 6.564,684 7.46,685 8.378,686 9.283,687 10.204,688 11.113,689 12.035,690 7,692 1,693 1,700 1,705 2,706 5,707 1,711 2,713 11,732 43,734 13,735 1,736 24,738 45,739 16,740 9,741 3,742 3,745 3,746 4,751 2,754 2,757 2,759 9,760 7,763 2,766 1,768 2,774 1,775 1,778 21,779 5,780 1,781 6,782 1,787 3,792 0.667,793 2,802 1,809 2,810 1,813 1,830 1,835 2,837 1,839 2,843 22,847 1,851 4,853 1,856 1,857 1,867 4.7,870 2,874 11.75,875 8.15,876 4.778,877 2.674,878 2.413,879 1.352,880 0.986,881 4.175,882 9.277,883 3.481,884 4.135,885 4.721,886 5.335,887 5.889,888 6.135,889 6.517,890 6.815,891 7.161,892 6.995,893 0.8,894 42,895 8.43,897 3.852,898 7.792,899 15.897,901 13.568,903 2.292,904 50.417,908 235.422,909 88.715,910 36.315,912 44.313,914 5.807,915 82.908,916 279.735,917 36.315,918 17.65,919 8.852,920 52.247,921 84.641,922 29.496,924 211.88,926 235.422,927 119.223,928 44.313,929 5.807,931 176.567,932 103.168,935 64.126,936 38.311,937 22.593,939 235.422,940 80.628,941 88.715,943 5.807,944 235.422,945 18.734,946 65.693,947 18.011,948 61.098,949 235.422,950 80.628,951 88.715,953 0.591,954 0.361,955 0.203,956 0.108,957 18,958 8,959 0.044,960 2,961 1,962 1.118,963 3.192,964 183.379,965 0.118,966 17,967 92.107,972 1,973 15.417,974 5.958,975 2.777,976 1.642,977 80.628,978 8.831,979 4.16,983 1.274,985 18.011,986 404.765,987 31.5,990 -3.518,992 26.389,998 42.989,999 48.571,1000 0.301,1001 0.633,1002 0.847,1003 0.916,1004 0.916,1005 0.916,1006 4.743,1007 1.268,1008 5.694,1009 3.165,1010 4.263,1011 4.82,1012 0.495,1013 6.627,1014 4.175,1015 5.994,1016 0.97,1017 7.34,1018 2.957,1019 4.111,1020 5.027,1022 8.023,1023 3.952,1024 7.373,1025 0.13,1026 9.116,1027 2.293,1028 6.009,1029 7.23,1030 0.097,1031 11.168,1032 5.809,1033 8.803,1034 -0.213,1035 10.973,1036 0.292,1037 6.711,1038 8.281,1040 13.401,1041 6.418,1042 10.277,1043 -0.277,1044 12.882,1045 -0.49,1046 8.155,1047 10.053,1048 0.016,1049 16.178,1050 7.814,1051 11.782,1052 -0.503,1053 14.826,1054 -0.643,1055 9.207,1056 11.426,1058 18.684,1059 8.771,1060 13.311,1061 -0.738,1062 16.795,1063 -1.427,1064 10.513,1065 13.061,1066 0.003,1067 21.367,1068 10.015,1069 3.595,1070 -1,1071 18.782,1072 -1.77,1073 11.698,1074 14.555,1076 23.966,1077 11.109,1078 2.984,1079 14.252,1080 20.782,1081 -2.475,1082 12.968,1083 16.147,1085 26.625,1086 12.305,1087 2.399,1088 10.52,1089 22.792,1090 4.908,1091 14.203,1092 17.688,1094 29.257,1095 13.453,1096 2.015,1097 7.446,1098 24.81,1099 4.265,1100 15.467,1101 19.267,1103 31.912,1104 14.637,1105 1.717,1106 5.706,1107 26.834,1108 2.851,1109 16.723,1110 20.828,1112 34.558,1113 15.807,1114 1.585,1115 4.755,1116 28.864,1117 2.682,1118 17.99,1119 22.405,1121 37.212,1122 16.991,1123 1.321,1124 3.392,1125 30.897,1126 2.373,1127 19.255,1128 23.976,1130 39.864,1131 18.17,1132 4072,1133 6560,1134 15.603,1135 28.426,1136 35.958,1137 36.872,1138 38.106,1139 35.971,1140 35.969,1141 46.99,1142 1.6,1143 109.556,1144 34.476,1145 5.957,1146 6.751,1147 7.544,1148 5.603,1149 5.595,1150 7.908,1151 0.8,1152 22.854,1153 5.325,1154 10.621,1155 1.498,1156 1.536,1157 1.588,1158 1.499,1159 1.499,1160 1.958,1161 0.067,1162 4.565,1163 1.437,1164 4.173,1165 4.169,1166 4.749,1167 4.154,1168 7.715,1169 4.101,1170 3.886,1171 3.927,1172 3.951,1173 3.778,1174 6.999,1175 3.734,1176 3.632,1177 3.641,1178 3.61,1179 3.504,1180 4.957,1181 3.46,1182 3.424,1183 3.479,1184 3.332,1185 3.32,1186 4.43,1187 3.298,1188 3.38,1189 3.45,1190 3.176,1191 3.236,1192 4.384,1193 3.209,1194 3.129,1195 3.22,1196 2.979,1197 2.948,1198 3.983,1199 2.939,1200 3.055,1201 3.142,1202 2.881,1203 2.799,1204 3.907,1205 2.788,1206 2.733,1207 2.852,1208 2.509,1209 2.516,1210 3.742,1211 2.492,1212 0.209,1213 0.198,1214 0.325,1215 0.189,1216 0.15,1217 5.006,1218 0.204,1219 4.751,1220 0.017,1221 7.789,1222 0.594,1223 4.525,1224 0.139,1225 3.595,1226 4.908,1227 0.4,1228 14.252,1229 3.325,1230 2.091,1231 2.089,1232 2.12,1233 2.148,1234 1.361,1235 2.168,1236 1.738,1237 1.718,1238 1.896,1239 1.915,1240 1.216,1241 1.936,1242 1.631,1243 1.554,1244 1.888,1245 1.853,1246 1.174,1247 1.872,1248 1.483,1249 1.439,1250 1.691,1251 1.633,1252 0.781,1253 1.665,1254 1.326,1255 1.321,1256 1.435,1257 1.476,1258 0.624,1259 1.528,1260 1.086,1261 1.018,1262 1.409,1263 1.337,1264 0.536,1265 1.373,1266 1.007,1267 0.895,1268 1.172,1269 1.29,1270 0.399,1271 1.329,1272 0.708,1273 0.619,1274 1.105,1275 0.982,1276 0.344,1277 1.044,1278 3.892,1280 5.242,1282 6.804,1283 2.708,1284 8.471,1285 5.094,1286 10.196,1288 3.858,1294 2.922,1296 3.283,1299 -0.051,1300 1.627,1305 26.422,1306 70.336,1307 147.607,1308 197.555,1309 213.82,1310 213.82,1311 213.82,1312 46.67,1313 6.864,1314 62.3,1315 70.68,1316 19,1317 12.545,1318 3.807,1319 3.087,1320 34.076,1321 59,1322 50,1323 0.293,1324 166.937,1325 282.37,1326 399.086,1327 7764,1329 15.742,1330 0.716,1331 0.624,1332 15.992,1333 13.728,1334 10.515,1335 0.438,1336 0.376,1337 7.607,1338 9.41,1339 7.241,1340 6.028,1341 11.304,1342 9.015,1343 9.826,1344 0.281,1345 0.22,1346 11.108,1347 7.692,1348 8.263,1349 0.172,1350 0.13,1351 9.602,1352 6.241,1353 7.147,1354 0.112,1355 0.078,1356 8.565,1357 5.021,1358 5.574,1359 0.071,1360 0.044,1361 6.783,1362 3.466,1363 0.43,1364 73.491,1365 0.253,1366 20.831,1367 0.901,1368 118,1369 325.955,1370 167.718,1371 336.662,1372 459.78,1373 310,1374 142,1375 311.625,1376 203.207,1377 354.758,1378 522.04,1379 332,1380 5.1}
{0 CHEMBL1084546,1 2.002,2 12.6,3 3.111,4 9.678,5 125.221,6 9.228,7 0.474,8 4.149,9 4.255,10 3.99,11 3.651,12 5.359,13 3.667,14 4.704,15 4.855,16 4.362,17 4.024,18 6.412,19 4.039,20 4.88,21 5.041,22 4.333,23 4.128,24 6.214,25 4.132,26 4.996,27 5.202,28 4.37,29 4.122,30 6.476,31 4.104,32 4.942,33 5.154,34 4.237,35 4.101,36 6.192,37 4.067,38 4.961,39 5.186,40 4.17,41 4.037,42 6.312,43 4.009,44 4.841,45 5.061,46 4.216,47 3.971,48 6.151,49 3.981,50 4.804,51 4.988,52 4.381,53 3.967,54 6.417,55 4.004,56 0.3,57 1.116,58 9.7,59 4.813,60 46.73,61 4.839,62 1.24,63 2.018,64 21.456,65 8.37,66 185.089,67 8.88,68 0.961,69 1.881,70 24.984,71 9.247,72 127.495,73 9.892,74 1.523,75 2.036,76 28.937,77 9.548,78 160.785,79 11.319,80 1.09,81 1.855,82 33.221,83 10.813,84 143.801,85 12.56,86 1.497,87 1.812,88 34.095,89 10.189,90 182.529,91 12.01,92 1.095,93 1.864,94 27.831,95 9.082,96 145.429,97 10.729,98 1.225,99 2.122,100 22.524,101 8.623,102 119.111,103 9.044,104 70,105 57,106 0.327,107 0.666,108 0.831,109 0.877,110 0.883,111 0.883,112 3.588,113 0.949,114 -3.85,115 -3.81,116 -3.62,119 38.2,121 1,124 2,125 1,132 1,142 5,143 3,144 2,145 2,147 2,150 1,158 1,172 5,174 5,175 6,178 4,180 7,183 4,188 3,193 5,196 3,199 2,200 10,203 3,204 1,205 3,208 2,213 8,217 1,221 1,224 2,225 8,228 3,230 3,233 3,238 1,241 2,243 3,246 2,249 6,250 3,253 2,255 2,258 3,267 1,268 1,271 4,275 2486,276 22.408,277 22.408,278 22.408,279 22.408,280 22.408,281 19.762,282 36.58,283 12.742,284 23.106,285 18.766,286 18.766,287 18.766,288 18.766,289 18.766,290 14.563,291 61.621,292 6.079,293 20.019,294 3.779,295 1.7,296 0.689,297 0.405,298 0.368,299 0.368,300 4.274,305 1,306 939,307 4.743,310 92.93,311 342.611,314 159.647,318 1.954,319 69.355,322 0.75,323 0.67,324 0.83,325 0.7,327 0.83,328 1,329 0.68,330 81,331 441,332 4.782,333 4.47,334 7.249,335 4.311,336 3.384,337 4.543,338 3.825,339 12.246,340 3.147,341 4.553,342 4.38,343 7.219,344 4.253,345 3.37,346 4.065,347 1.987,348 12.041,349 2.984,350 4.341,351 3.683,352 6.259,353 3.993,354 3.009,355 3.952,356 0.657,357 9.524,358 2.955,359 4.151,360 3.099,361 6.15,362 3.697,363 2.74,364 3.77,365 0.4,366 8.933,367 2.619,368 3.916,369 2.962,370 5.738,371 3.543,372 2.638,373 3.224,374 0.4,375 8.008,376 2.401,377 3.637,378 2.812,379 5.416,380 3.262,381 2.327,382 2.92,383 0.324,384 7.052,385 2.132,386 3.338,387 2.512,388 4.956,389 2.956,390 1.998,391 2.514,393 5.777,394 1.895,395 3.181,396 2.162,397 4.753,398 2.756,399 1.778,400 2.374,402 5.096,403 1.712,404 2.987,405 1.978,406 4.734,407 2.592,408 1.652,409 2.14,411 4.807,412 1.542,413 2.915,414 1.792,415 4.406,416 2.5,417 1.514,418 2.074,420 4.275,421 1.491,422 2.874,423 1.629,424 4.186,425 2.446,426 1.483,427 2.007,429 3.565,430 1.422,431 2.712,432 1.454,433 3.784,434 2.219,435 1.298,436 1.794,438 3.12,439 1.181,440 2.113,441 1.048,442 3.546,443 1.726,444 0.793,445 1.002,447 1.913,448 0.737,449 1.819,450 0.82,451 3.22,452 1.528,453 0.603,454 0.708,456 1.456,457 0.556,458 1.739,459 0.755,460 3.196,461 1.469,462 0.507,463 0.604,465 1.297,466 0.486,467 15.99,468 0.457,469 1.344,470 0.038,471 48.5,472 1.386,473 24.5,474 0.7,475 24,476 0.686,477 28.887,478 0.825,479 39.21,480 0.713,481 44.312,482 1.266,483 9.603,484 0.274,485 6.811,486 0.195,487 0.179,488 0.083,489 0.306,490 3,493 0.608,494 1.223,495 0.716,496 1.255,497 0.621,498 0.935,499 0.46,500 0.784,501 0.838,502 0.976,503 0.416,504 0.863,505 0.94,506 1.124,507 1.066,508 1.181,509 0.859,510 1.12,511 0.797,512 0.681,513 0.936,514 0.827,515 0.815,516 1.032,517 0.852,518 1.008,519 1.077,520 1.155,521 0.764,522 1.081,523 0.975,524 0.795,525 1.009,526 0.816,527 1.007,528 0.947,529 0.986,530 1.112,531 0.728,532 0.832,533 0.921,534 0.814,535 0.989,536 1.139,537 0.795,538 0.913,539 1.013,540 0.899,541 10.5,542 0.285,543 4.667,544 3.417,545 2.084,546 1.459,547 0.894,548 0.849,549 0.689,550 0.624,551 17627,552 67899,553 1.994,554 36.4,556 13,558 2,559 3,560 2,564 1.77,565 1.81,566 3.588,567 0.962,574 110.136,575 2.002,576 4.081,577 5.093,578 5.377,579 5.413,580 5.413,581 3.065,582 4.686,583 5.103,584 3.807,585 2265.17,586 8.975,587 35659.4,592 317.975,593 1.763,594 5.017,595 0.276,596 0.007,597 0.082,598 0.061,599 0.039,600 0.03,601 0.019,602 0.017,603 0.013,604 0.013,605 0.557,606 0.33,607 0.75,608 1.016,609 189.229,610 -0.04,611 -0.2,612 0.14,613 -0.113,614 -0.114,615 0.003,616 0.375,617 0.263,618 0.068,619 0.057,620 0.378,621 0.059,622 -0.195,623 -0.264,624 -0.193,625 -0.202,626 -0.116,627 -0.177,628 0.094,629 0.255,630 -0.061,631 0.044,632 0.018,633 -0.109,634 -0.094,635 -0.153,636 -0.065,637 -0.138,638 -0.046,639 -0.044,640 -0.051,641 0.084,642 -0.06,643 0.09,644 -0.104,645 0.051,646 -0.102,647 -0.179,648 0.17,649 0.07,650 -0.085,651 0.193,652 0.124,653 0.086,654 0.103,655 0.028,656 0.044,657 0.004,658 5.984,659 5.604,660 0.6,661 36.485,662 1.043,663 1.152,664 2.618,665 6.856,666 0.672,667 3.664,668 4.06,669 4.263,670 4.511,671 4.691,672 4.745,673 4.883,674 5.037,675 5.075,676 5.215,677 7.658,678 0.67,679 507.55,680 3.664,681 5.252,682 6.098,683 7.004,684 7.867,685 8.77,686 9.64,687 10.54,688 11.414,689 12.312,690 12.7,695 1,696 1,697 1,698 1,700 3,706 7,707 3,711 8,713 18,725 2,732 55,734 21,735 1,736 38,738 58,739 21,740 15,741 3,742 3,745 4,746 5,751 1,754 1,756 1,757 1,759 16,760 5,763 3,766 1,768 3,772 1,776 3,778 20,779 13,780 3,781 14,782 1,787 7,792 0.75,793 3,802 1,803 1,808 1,809 3,812 1,822 1,835 3,837 1,839 2,841 3,843 35,847 1,851 2,853 3,857 1,858 1,866 3,867 5.5,870 3,874 19.333,875 10.479,876 7.278,877 2.884,878 3.702,879 1.459,880 1.002,881 6.694,882 11.775,883 3.932,884 4.58,885 5.026,886 5.571,887 6.08,888 6.249,889 6.584,890 6.97,891 7.233,892 7.636,893 1,894 56,895 13.822,897 6.844,898 8.405,899 23.438,901 19.304,903 2.905,904 101.667,908 200.109,909 125.6,910 105.907,912 69.458,913 44.88,914 5.807,915 119.792,916 269.567,917 150.788,918 15.587,919 22.651,920 53.189,921 166.072,922 97.575,923 6.555,924 176.567,925 7.76,926 200.109,927 225.7,928 114.338,929 5.807,931 200.109,932 114.338,935 68.415,936 88.917,937 74.175,939 244.989,940 175.365,941 125.6,943 5.807,944 207.868,945 30.97,946 82.581,947 54.032,948 164.695,949 200.109,950 220.246,951 125.6,953 0.607,954 0.334,955 0.171,956 0.091,957 28,958 14,959 0.121,960 7,961 1,962 1.095,963 4.383,964 333.241,965 0.095,966 21,967 172.77,972 1,973 24.864,974 9.422,975 5.706,977 220.246,978 10.128,979 11.817,983 0.639,985 54.032,986 545.954,987 50,990 -3.64,992 35.375,996 -0.147,998 57.378,999 63.377,1000 0.346,1001 0.706,1002 0.881,1003 0.93,1004 0.936,1005 0.936,1006 5.218,1007 1.778,1008 6.168,1009 5.777,1010 4.745,1011 5.268,1012 3.378,1013 7.052,1014 4.62,1015 6.484,1016 1.652,1017 7.789,1018 5.096,1019 4.691,1020 5.407,1021 3.979,1022 8.326,1023 4.439,1024 7.85,1025 1.514,1026 9.522,1027 4.807,1028 6.491,1029 7.549,1030 5.512,1031 11.325,1032 6.227,1033 9.25,1034 1.483,1035 11.322,1036 4.275,1037 7.179,1038 8.416,1039 6.718,1040 13.356,1041 6.783,1042 10.68,1043 1.298,1044 13.165,1045 3.565,1046 8.564,1047 10.145,1048 8.081,1049 15.989,1050 8.137,1051 12.13,1052 0.793,1053 15.037,1054 3.12,1055 9.551,1056 11.325,1057 9.397,1058 18.299,1059 9.007,1060 13.597,1061 0.603,1062 16.931,1063 1.913,1064 10.802,1065 12.901,1066 10.74,1067 20.83,1068 10.204,1069 3.384,1070 0.507,1071 18.841,1072 1.456,1073 11.912,1074 14.228,1075 12.077,1076 23.248,1077 11.21,1078 3.37,1079 12.246,1080 20.764,1081 1.297,1082 13.122,1083 15.742,1084 13.418,1085 25.75,1086 12.349,1087 3.009,1088 12.041,1089 22.697,1090 4.543,1091 14.284,1092 17.143,1093 14.759,1094 28.212,1095 13.415,1096 2.74,1097 9.524,1098 24.638,1099 4.065,1100 15.484,1101 18.634,1102 16.1,1103 30.706,1104 14.535,1105 2.638,1106 8.933,1107 26.585,1108 3.952,1109 16.669,1110 20.074,1111 17.441,1112 33.187,1113 15.628,1114 2.327,1115 8.008,1116 28.538,1117 3.77,1118 17.87,1119 21.559,1120 18.783,1121 35.681,1122 16.743,1123 1.998,1124 7.052,1125 30.495,1126 3.224,1127 19.066,1128 23.021,1129 20.125,1130 38.171,1131 17.849,1132 16985,1133 33557,1134 24.156,1135 36.955,1136 58.647,1137 59.497,1138 59.703,1139 58.504,1140 58.306,1141 75.516,1142 15.187,1143 178.544,1144 54.62,1145 5.651,1146 6.47,1147 6.932,1148 5.386,1149 5.384,1150 7.543,1151 5.335,1152 19.963,1153 5.147,1154 22.665,1155 1.543,1156 1.566,1157 1.571,1158 1.54,1159 1.534,1160 1.987,1161 0.4,1162 4.699,1163 1.437,1164 4.056,1165 4.08,1166 4.722,1167 3.979,1168 8.513,1169 3.939,1170 4,1171 4.013,1172 3.984,1173 3.916,1174 7.999,1175 3.879,1176 3.884,1177 3.917,1178 3.879,1179 3.749,1180 7.999,1181 3.736,1182 3.776,1183 3.78,1184 3.787,1185 3.667,1186 7.716,1187 3.648,1188 3.474,1189 3.518,1190 3.431,1191 3.276,1192 7.429,1193 3.299,1194 3.285,1195 3.359,1196 3.277,1197 3.043,1198 6.999,1199 3.048,1200 3.231,1201 3.297,1202 3.118,1203 2.934,1204 4.997,1205 2.994,1206 3.159,1207 3.26,1208 2.97,1209 2.92,1210 4.863,1211 2.903,1212 0.126,1213 0.118,1214 0.191,1215 0.113,1216 0.089,1217 4.782,1218 0.12,1219 4.47,1220 0.101,1221 7.249,1222 0.322,1223 4.311,1224 0.083,1225 3.384,1226 4.543,1227 3.825,1228 12.246,1229 3.147,1230 1.91,1231 1.886,1232 1.994,1233 2.06,1234 1.158,1235 2.058,1236 1.89,1237 1.868,1238 1.972,1239 2.009,1240 1.15,1241 2.006,1242 1.756,1243 1.731,1244 1.802,1245 1.918,1246 0.979,1247 1.911,1248 1.663,1249 1.67,1250 1.662,1251 1.797,1252 0.851,1253 1.84,1254 1.415,1255 1.376,1256 1.597,1257 1.67,1258 0.744,1259 1.64,1260 1.215,1261 1.136,1262 1.531,1263 1.478,1264 0.612,1265 1.487,1266 1.158,1267 1.062,1268 1.467,1269 1.452,1270 0.574,1271 1.476,1272 1.114,1273 1.051,1274 1.236,1275 1.434,1276 0.296,1277 1.364,1278 4.344,1280 5.72,1281 2.398,1282 7.268,1283 4.727,1284 8.892,1285 6.804,1286 10.557,1288 2.294,1290 40.812,1294 0.01,1296 8.172,1300 0.94,1301 -4.734,1305 36.846,1306 110.136,1307 224.475,1308 280.1,1309 295.71,1310 297.71,1311 297.71,1312 98.569,1313 8.073,1314 129.21,1315 137.59,1316 23,1317 12.84,1318 4.459,1319 3.7,1320 59.334,1321 156,1322 171,1323 0.176,1324 227.636,1325 403.41,1326 547.193,1327 39726,1328 5.5,1329 25.38,1330 0.725,1331 0.552,1332 23.13,1333 19.328,1334 16.414,1335 0.432,1336 0.316,1337 10.088,1338 14.681,1339 9.716,1340 8.008,1341 16.097,1342 12.021,1343 16.864,1344 0.296,1345 0.171,1346 16.279,1347 9.759,1348 12.413,1349 0.177,1350 0.091,1351 12.471,1352 6.358,1353 10.196,1354 0.113,1355 0.043,1356 9.722,1357 3.887,1358 8.013,1359 0.074,1360 0.024,1361 7.978,1362 2.559,1363 0.278,1364 114.441,1365 0.203,1366 32.13,1367 0.482,1368 190,1369 825.979,1370 260.761,1371 732.386,1372 955.62,1373 672,1374 222,1375 652.937,1376 292.737,1377 672.364,1378 994.15,1379 626,1380 5.2}
{0 CHEMBL1090356,1 1.601,2 17.093,3 6.24,4 38.943,5 169.241,6 8.163,7 0.673,8 4.398,9 4.509,10 4.085,11 3.997,12 5.506,13 3.973,14 4.916,15 5.065,16 4.454,17 4.381,18 6.004,19 4.342,20 5.142,21 5.34,22 4.431,23 4.491,24 6.154,25 4.42,26 5.153,27 5.367,28 4.421,29 4.484,30 6.17,31 4.405,32 5.193,33 5.404,34 4.516,35 4.521,36 6.267,37 4.446,38 5.178,39 5.387,40 4.48,41 4.509,42 6.228,43 4.421,44 5.087,45 5.289,46 4.409,47 4.428,48 6.127,49 4.34,50 5.045,51 5.26,52 4.321,53 4.38,54 6.056,55 4.295,56 0.031,57 1.102,58 13,59 6.182,60 8.767,61 7.457,62 0.348,63 1.837,64 26.442,65 10.354,66 29.446,67 12.642,68 0.463,69 2.184,70 35.72,71 13.37,72 44.975,73 16.76,74 0.26,75 2.198,76 35.573,77 14.089,78 41.244,79 18.681,80 0.449,81 2.297,82 39.082,83 14.663,84 58.807,85 18.722,86 0.447,87 2.274,88 41.263,89 15.103,90 54.788,91 18.506,92 0.443,93 2.112,94 36.923,95 13.288,96 48.287,97 16.898,98 0.388,99 2.014,100 35.305,101 12.691,102 37.098,103 16.235,104 2,105 68,106 0.243,107 0.567,108 0.725,109 0.829,110 0.858,111 0.858,112 3.788,113 0.919,114 -4.76,115 -4.68,116 -4.39,119 45.8,121 1,125 4,142 14,143 2,144 3,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 13,174 2,175 8,178 3,180 5,183 14,187 2,188 7,193 5,196 9,199 1,200 13,205 4,208 5,212 1,213 15,216 3,218 2,221 9,224 1,225 7,228 2,230 2,233 11,237 3,238 7,241 1,243 5,246 13,249 1,250 7,253 1,255 1,258 10,262 1,263 10,266 1,267 1,268 1,271 14,275 4620,276 30.032,277 30.032,278 30.032,279 30.032,280 30.032,281 26.078,282 30.357,283 18.052,284 30.882,285 24.323,286 24.323,287 24.323,288 24.323,289 24.323,290 18.386,291 47.09,292 8.692,293 25.713,294 4.569,295 2.438,296 1.402,297 0.717,298 0.528,299 0.528,300 4.514,305 1,306 1652,307 3.464,310 209.351,311 687.437,313 170.28,318 2.852,319 30.152,322 0.75,323 0.5,324 0.83,325 0.5,327 0.83,328 1,329 0.63,330 91.5,331 735,332 4.738,333 3.628,334 7.021,335 4.267,336 3.327,337 4.68,338 1.987,339 12.063,340 3.144,341 4.167,342 3.328,343 6.143,344 3.825,345 2.878,346 3.759,347 0.86,348 9.058,349 2.731,350 4.127,351 3.126,352 6.027,353 3.735,354 2.759,355 3.744,356 0.8,357 8.634,358 2.695,359 4.04,360 2.838,361 5.815,362 3.61,363 2.679,364 3.625,365 0.4,366 8.149,367 2.574,368 3.955,369 2.72,370 5.566,371 3.564,372 2.591,373 3.475,374 0.324,375 7.588,376 2.44,377 3.732,378 2.601,379 5.502,380 3.346,381 2.411,382 3.105,384 7.317,385 2.25,386 3.646,387 2.49,388 5.306,389 3.272,390 2.3,391 2.944,393 6.806,394 2.219,395 3.443,396 2.321,397 5.044,398 2.998,399 2.055,400 2.736,402 5.983,403 1.942,404 3.309,405 2.25,406 4.684,407 2.892,408 1.899,409 2.564,411 5.07,412 1.854,413 2.974,414 2.039,415 4.543,416 2.696,417 1.772,418 2.105,420 4.499,421 1.632,422 2.905,423 1.561,424 4.42,425 2.427,426 1.447,427 2.081,429 4.185,430 1.418,431 2.874,432 1.556,433 4.344,434 2.341,435 1.419,436 1.987,438 3.85,439 1.326,440 2.83,441 1.461,442 3.575,443 2.322,444 1.353,445 1.954,447 2.987,448 1.274,449 2.657,450 1.411,451 3.525,452 2.148,453 1.182,454 1.728,456 2.71,457 1.138,458 2.612,459 1.256,460 3.498,461 2.041,462 1.147,463 1.666,465 2.611,466 1.016,467 20.8,468 0.484,469 0.824,470 0.019,471 62.25,472 1.448,473 33,474 0.767,475 29.25,476 0.68,477 35.686,478 0.83,479 43.4,480 0.603,481 51.415,482 1.196,483 12.231,484 0.284,485 8.961,486 0.208,487 0.016,489 0.303,493 0.851,494 1.272,495 0.708,496 0.943,497 0.638,498 0.856,499 1.015,500 1.134,501 0.908,502 1.003,503 0.701,504 0.942,505 1.22,506 1.008,507 0.968,508 0.881,509 1.143,510 0.947,511 0.803,512 1.11,513 0.789,514 0.945,515 0.765,516 0.974,517 1.035,518 0.951,519 0.844,520 0.872,521 1.318,522 0.888,523 1.129,524 0.993,525 1.068,526 0.977,527 1.192,528 0.933,529 0.916,530 1.105,531 1.041,532 1.078,533 0.932,534 1.025,535 0.875,536 1.05,537 1.031,538 0.976,539 0.843,540 0.945,541 7,542 0.287,543 3.333,544 2.694,545 1.864,546 1.074,547 0.974,548 0.522,549 0.545,550 0.24,551 37147,552 93798,553 2.225,554 40.3,556 22,557 2,558 1,559 2,560 2,564 1.817,565 2.168,566 4.006,567 0.114,574 115.237,575 1.601,576 3.732,577 4.768,578 5.453,579 5.642,580 5.642,581 3.489,582 4.961,583 5.39,584 4.204,585 3796.62,586 9.544,587 70880.2,592 444.235,593 1.031,594 5.392,595 0.143,596 0.005,597 0.049,598 0.04,599 0.028,600 0.015,601 0.015,602 0.009,603 0.009,604 0.004,605 0.317,606 0.17,607 0.75,608 0.252,609 250.255,610 -0.044,611 -0.179,612 0.07,613 -0.026,614 -0.043,615 0.01,616 0.056,617 -0.051,618 -0.012,619 -0.065,620 0.028,621 -0.057,622 -0.142,623 0.019,624 -0.079,625 0.034,626 -0.124,627 -0.016,628 0.005,629 -0.116,630 0.063,631 -0.034,632 0.104,633 -0.004,634 0.002,635 0.057,636 0.1,637 0.077,638 -0.006,639 0.073,640 -0.07,641 0.033,642 -0.004,643 0.042,644 -0.051,645 0.038,646 0.039,647 -0.072,648 -0.013,649 -0.074,650 -0.005,651 -0.06,653 -0.005,654 -0.031,655 0.002,656 -0.017,657 0.019,658 1.737,659 5.744,660 0.884,661 66.581,662 1.002,663 1.117,664 3.532,665 12.478,666 0.708,667 3.912,668 4.234,669 4.533,670 4.852,671 5.088,672 5.198,673 5.403,674 5.553,675 5.694,676 5.826,677 9.626,678 0.674,679 587.76,680 3.912,681 5.46,682 6.319,683 7.203,684 8.079,685 8.971,686 9.857,687 10.756,688 11.649,689 12.553,690 9.7,696 1,697 1,698 2,700 3,705 1,706 17,707 3,710 1,711 9,713 33,725 1,727 1,732 72,734 34,735 3,736 49,738 78,739 33,740 27,741 5,742 13,745 7,746 8,757 1,759 28,760 5,763 1,768 1,772 1,778 29,779 8,780 2,781 10,782 1,784 1,787 7,792 0.857,793 2,803 1,808 2,809 5,811 1,822 1,834 1,835 6,837 1,843 43,851 5,853 2,854 1,857 1,861 1,867 2.8,870 1,871 1,874 19.833,875 12.917,876 9.333,877 4.254,878 6.374,879 1.669,880 1.048,881 8.038,882 15.902,883 4.212,884 4.828,885 5.439,886 6.09,887 6.638,888 6.999,889 7.517,890 7.949,891 8.394,892 8.807,893 0.917,894 67,895 15.879,897 6.831,898 7.597,899 30.686,901 25.585,903 2.097,904 90.167,908 317.82,909 235.135,910 90.789,912 36.145,914 31.278,915 203.857,916 353.965,917 90.789,919 33.941,920 149.364,921 102.977,922 51.624,923 28.198,924 313.784,926 317.82,927 294.646,928 36.145,929 31.278,931 317.82,932 25.145,933 11,935 69.699,936 174.591,937 50.357,938 31.278,939 317.82,940 126.934,941 235.135,944 317.82,945 76.724,946 162.822,947 36.022,948 86.501,949 317.82,950 126.934,951 235.135,953 0.575,954 0.335,955 0.193,956 0.106,957 34,958 13,959 0.103,960 8,961 1,962 1.053,963 5.392,964 454.754,965 0.053,966 38,967 221.329,969 1,973 27.566,974 12.539,975 6.262,976 0.857,977 125.647,978 33.426,979 14.315,982 1.559,983 7.516,985 36.022,986 679.889,987 66.5,992 12.744,996 -0.07,998 72.163,999 80.394,1000 0.259,1001 0.605,1002 0.773,1003 0.884,1004 0.914,1005 0.914,1006 5.439,1007 2.055,1008 6.282,1009 6.806,1010 4.92,1011 5.517,1012 2.373,1013 7.084,1014 4.819,1015 6.636,1016 1.899,1017 7.822,1018 5.983,1019 4.369,1020 5.198,1021 1.668,1022 7.936,1023 4.225,1024 7.933,1025 1.772,1026 9.463,1027 5.07,1028 6.494,1029 7.719,1030 3.17,1031 11.084,1032 6.299,1033 9.268,1034 1.447,1035 11.167,1036 4.499,1037 6.815,1038 8.29,1039 3.181,1040 12.854,1041 6.564,1042 10.637,1043 1.419,1044 12.915,1045 4.185,1046 8.357,1047 10.234,1048 4.326,1049 15.512,1050 8.065,1051 12.032,1052 1.353,1053 14.696,1054 3.85,1055 9.101,1056 11.256,1057 4.656,1058 17.688,1059 8.746,1060 13.448,1061 1.182,1062 16.501,1063 2.987,1064 10.402,1065 12.951,1066 5.604,1067 20.204,1068 10.005,1069 3.327,1070 1.147,1071 18.326,1072 2.71,1073 11.36,1074 14.218,1075 6.091,1076 22.559,1077 10.898,1078 2.878,1079 12.063,1080 20.167,1081 2.611,1082 12.565,1083 15.805,1084 6.928,1085 25.041,1086 12.057,1087 2.759,1088 9.058,1089 22.023,1090 4.68,1091 13.631,1092 17.202,1093 7.501,1094 27.472,1095 13.06,1096 2.679,1097 8.634,1098 23.892,1099 3.759,1100 14.805,1101 18.748,1102 8.273,1103 29.952,1104 14.182,1105 2.591,1106 8.149,1107 25.77,1108 3.744,1109 15.928,1110 20.213,1111 8.894,1112 32.415,1113 15.241,1114 2.411,1115 7.588,1116 27.659,1117 3.625,1118 17.097,1119 21.747,1120 9.631,1121 34.897,1122 16.355,1123 2.3,1124 7.317,1125 29.555,1126 3.475,1127 18.249,1128 23.247,1129 10.279,1130 37.375,1131 17.446,1132 33514,1133 53511,1134 34.383,1135 50.972,1136 73.698,1137 74.444,1138 74.016,1139 73.002,1140 73.111,1141 98.355,1142 8.742,1143 207.399,1144 69.372,1145 5.738,1146 5.628,1147 6.823,1148 5.412,1149 5.327,1150 7.68,1151 3.497,1152 19.437,1153 5.144,1154 9.183,1155 1.504,1156 1.519,1157 1.511,1158 1.49,1159 1.492,1160 2.007,1161 0.178,1162 4.233,1163 1.416,1164 4.161,1165 4.196,1166 4.359,1167 4.068,1168 7.429,1169 4.057,1170 3.962,1171 4.003,1172 3.931,1173 3.873,1174 5.102,1175 3.868,1176 3.929,1177 3.962,1178 3.875,1179 3.849,1180 4.925,1181 3.849,1182 3.849,1183 3.881,1184 3.819,1185 3.792,1186 4.762,1187 3.776,1188 3.765,1189 3.819,1190 3.754,1191 3.614,1192 4.735,1193 3.618,1194 3.657,1195 3.702,1196 3.554,1197 3.475,1198 4.695,1199 3.484,1200 3.463,1201 3.497,1202 3.413,1203 3.276,1204 4.579,1205 3.294,1206 3.175,1207 3.215,1208 3.27,1209 3.103,1210 4.125,1211 3.081,1212 0.097,1213 0.074,1214 0.143,1215 0.087,1216 0.068,1217 4.738,1218 0.096,1219 3.628,1220 0.041,1221 7.021,1222 0.246,1223 4.267,1224 0.064,1225 3.327,1226 4.68,1227 1.987,1228 12.063,1229 3.144,1230 1.944,1231 1.917,1232 2.051,1233 2.066,1234 1.236,1235 2.057,1236 1.92,1237 1.887,1238 2.033,1239 2.034,1240 1.17,1241 2.037,1242 1.901,1243 1.873,1244 2.007,1245 1.991,1246 1.124,1247 1.997,1248 1.773,1249 1.731,1250 1.874,1251 1.94,1252 1.024,1253 1.928,1254 1.628,1255 1.574,1256 1.825,1257 1.833,1258 0.918,1259 1.834,1260 1.471,1261 1.42,1262 1.592,1263 1.694,1264 0.825,1265 1.664,1266 1.403,1267 1.371,1268 1.576,1269 1.62,1270 0.709,1271 1.603,1272 1.35,1273 1.339,1274 1.513,1275 1.43,1276 0.637,1277 1.461,1278 4.595,1280 5.916,1281 3.045,1282 7.428,1283 5.416,1284 9.027,1285 7.535,1286 10.673,1294 3.601,1296 6.381,1297 5.472,1300 2.321,1305 48.561,1306 115.237,1307 268.716,1308 343.322,1309 392.625,1310 406.235,1311 406.235,1312 59.813,1313 9.529,1314 96.68,1315 124.92,1316 40,1317 13.075,1318 5.129,1319 4.209,1320 58.258,1321 238,1322 280,1323 0.112,1324 295.409,1325 498.39,1326 712.558,1327 262428,1329 29.012,1330 0.675,1331 0.561,1332 29.365,1333 24.128,1334 21.192,1335 0.432,1336 0.306,1337 14.017,1338 20.009,1339 13.69,1340 11.271,1341 21.646,1342 15.005,1343 18.912,1344 0.278,1345 0.163,1346 19.496,1347 11.066,1348 16.149,1349 0.176,1350 0.087,1351 16.773,1352 8.044,1353 14.356,1354 0.113,1355 0.047,1356 15.064,1357 5.933,1358 11.665,1359 0.072,1360 0.025,1361 12.279,1362 3.962,1363 0.18,1364 136.469,1365 0.171,1366 38.548,1367 0.297,1368 234,1369 643.223,1370 277.808,1371 649.404,1372 910.02,1373 614,1374 277,1375 672.969,1376 316.622,1377 696.182,1378 1024.59,1379 658,1380 5.1}
{0 CHEMBL1090360,1 1.601,2 16.395,3 6.24,4 38.943,5 169.241,6 8.163,7 0.673,8 4.398,9 4.509,10 4.085,11 3.997,12 5.506,13 3.973,14 4.916,15 5.065,16 4.454,17 4.381,18 6.004,19 4.342,20 5.142,21 5.34,22 4.431,23 4.491,24 6.152,25 4.42,26 5.153,27 5.367,28 4.435,29 4.485,30 6.171,31 4.408,32 5.198,33 5.405,34 4.539,35 4.53,36 6.274,37 4.462,38 5.205,39 5.409,40 4.524,41 4.543,42 6.263,43 4.459,44 5.157,45 5.365,46 4.456,47 4.48,48 6.189,49 4.391,50 5.111,51 5.332,52 4.352,53 4.421,54 6.116,55 4.338,56 0.031,57 1.102,58 13,59 6.182,60 8.767,61 7.457,62 0.348,63 1.837,64 26.442,65 10.354,66 29.558,67 12.642,68 0.463,69 2.184,70 35.72,71 13.37,72 44.904,73 16.76,74 0.269,75 2.205,76 35.584,77 14.149,78 40.819,79 18.788,80 0.446,81 2.327,82 38.901,83 14.309,84 57.17,85 18.16,86 0.496,87 2.364,88 41.584,89 15.256,90 55.131,91 18.633,92 0.46,93 2.247,94 39.764,95 14.174,96 53.153,97 18.259,98 0.435,99 2.136,100 38.312,101 13.346,102 44.229,103 16.901,104 2,105 68,106 0.243,107 0.567,108 0.732,109 0.84,110 0.87,111 0.875,112 3.788,113 0.919,114 -4.76,115 -4.68,116 -4.39,119 45.8,121 1,125 4,142 14,143 2,144 3,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 13,174 2,175 8,178 3,180 5,183 15,187 2,188 6,193 4,196 8,199 1,200 14,203 1,205 5,208 5,212 1,213 13,216 2,218 2,221 9,224 3,225 8,228 2,230 2,233 11,237 1,238 8,241 2,243 5,246 12,249 1,250 7,255 1,258 11,262 4,263 9,266 1,267 1,268 1,271 13,275 4506,276 30.032,277 30.032,278 30.032,279 30.032,280 30.032,281 26.078,282 30.357,283 18.093,284 30.882,285 24.34,286 24.34,287 24.34,288 24.34,289 24.34,290 18.392,291 49.59,292 8.719,293 25.728,294 4.569,295 2.438,296 1.356,297 0.644,298 0.444,299 0.417,300 4.514,305 1,306 1583,307 3.464,310 204.642,311 664.425,313 166.47,318 2.795,319 30.368,322 0.75,323 0.5,324 0.83,325 0.5,327 0.83,328 1,329 0.63,330 91.5,331 705,332 4.738,333 3.628,334 7.021,335 4.267,336 3.327,337 4.68,338 1.987,339 12.063,340 3.144,341 4.196,342 3.328,343 6.17,344 3.853,345 2.905,346 3.778,347 0.86,348 9.189,349 2.759,350 4.127,351 3.143,352 6.027,353 3.735,354 2.758,355 3.75,356 0.8,357 8.634,358 2.695,359 4.036,360 2.825,361 5.813,362 3.601,363 2.664,364 3.634,365 0.4,366 8.13,367 2.572,368 3.954,369 2.72,370 5.564,371 3.556,372 2.59,373 3.475,374 0.324,375 7.583,376 2.417,377 3.71,378 2.601,379 5.493,380 3.324,381 2.391,382 3.094,384 7.279,385 2.229,386 3.614,387 2.49,388 5.305,389 3.268,390 2.296,391 2.875,393 6.802,394 2.213,395 3.434,396 2.315,397 5.047,398 2.997,399 2.055,400 2.708,402 5.99,403 1.941,404 3.308,405 2.236,406 4.685,407 2.892,408 1.899,409 2.561,411 5.071,412 1.854,413 2.967,414 2.029,415 4.544,416 2.653,417 1.73,418 2.115,420 4.392,421 1.592,422 2.905,423 1.561,424 4.368,425 2.427,426 1.448,427 2.084,429 4.138,430 1.418,431 2.864,432 1.55,433 4.336,434 2.344,435 1.423,436 1.982,438 3.846,439 1.327,440 2.829,441 1.459,442 3.575,443 2.326,444 1.354,445 1.951,447 2.987,448 1.282,449 2.664,450 1.4,451 3.549,452 2.212,453 1.259,454 1.733,456 2.811,457 1.195,458 2.646,459 1.256,460 3.511,461 2.145,462 1.172,463 1.706,465 2.613,466 1.135,467 20.8,468 0.484,469 0.824,470 0.019,471 62.25,472 1.448,473 33,474 0.767,475 29.25,476 0.68,477 36.003,478 0.837,479 43.4,480 0.603,481 51.705,482 1.202,483 12.231,484 0.284,485 8.961,486 0.208,487 0.016,489 0.303,493 0.851,494 1.272,495 0.708,496 0.943,497 0.638,498 0.856,499 1.015,500 1.134,501 0.908,502 1.003,503 0.7,504 0.942,505 1.22,506 1.008,507 0.968,508 0.881,509 1.151,510 0.947,511 0.764,512 1.107,513 0.765,514 0.942,515 0.743,516 0.962,517 1.12,518 0.982,519 0.854,520 0.856,521 1.338,522 0.871,523 1.116,524 0.982,525 1.08,526 0.986,527 1.176,528 0.953,529 0.89,530 1.143,531 1.012,532 1.069,533 0.902,534 1.017,535 1.087,536 0.983,537 1.047,538 0.911,539 0.949,540 0.903,541 7,542 0.333,543 3.111,544 2.819,545 1.864,546 1.074,547 0.955,548 0.454,549 0.493,550 0.267,551 36139,552 91438,553 2.225,554 40.3,556 22,557 2,558 1,559 2,560 2,564 1.818,565 2.168,566 3.962,567 0.114,574 115.237,575 1.601,576 3.732,577 4.813,578 5.526,579 5.725,580 5.753,581 3.472,582 5.054,583 5.392,584 4.15,585 3747.48,586 9.553,587 69173.3,592 444.235,593 1.031,594 5.392,595 0.143,596 0.006,597 0.046,598 0.042,599 0.028,600 0.015,601 0.014,602 0.007,603 0.008,604 0.004,605 0.313,606 0.17,607 0.75,608 0.252,609 249.226,610 -0.044,611 -0.179,612 0.07,613 -0.026,614 -0.043,615 0.01,616 0.056,617 -0.051,618 -0.012,619 -0.065,620 0.029,621 -0.057,622 -0.142,623 0.019,624 -0.079,625 0.034,626 -0.132,627 -0.016,628 0.045,629 -0.113,630 0.088,631 -0.031,632 0.124,633 0.008,634 -0.049,635 0.045,636 0.085,637 0.082,638 -0.028,639 0.075,640 -0.044,641 0.061,642 -0.032,643 0.019,644 -0.052,645 0.002,646 0.05,647 -0.116,648 0.007,649 -0.073,650 0.009,651 -0.047,652 -0.114,653 0.061,654 -0.044,655 0.058,656 -0.082,657 0.058,658 1.737,659 5.755,660 0.884,661 62.919,662 1.002,663 1.117,664 3.532,665 12.478,666 0.708,667 3.912,668 4.234,669 4.533,670 4.86,671 5.094,672 5.204,673 5.407,674 5.557,675 5.7,676 5.832,677 9.336,678 0.674,679 587.76,680 3.912,681 5.46,682 6.319,683 7.204,684 8.081,685 8.975,686 9.861,687 10.761,688 11.655,689 12.56,690 9.7,696 1,697 1,698 2,700 3,705 1,706 17,707 3,710 1,711 9,713 33,725 1,727 1,732 72,734 34,735 3,736 49,738 78,739 33,740 27,741 5,742 13,745 7,746 8,757 1,759 28,760 5,763 1,768 1,772 1,778 29,779 8,780 2,781 10,782 1,784 1,787 7,792 0.857,793 2,803 1,808 2,809 5,811 1,822 1,834 1,835 6,837 1,843 43,851 5,853 2,854 1,857 1,861 1,867 2.8,870 1,871 1,874 19.833,875 12.917,876 9.333,877 4.254,878 6.423,879 1.674,880 1.048,881 8.038,882 15.952,883 4.212,884 4.828,885 5.439,886 6.095,887 6.638,888 7,889 7.518,890 7.95,891 8.396,892 8.81,893 1,894 67,895 15.881,897 6.832,898 7.597,899 30.686,901 25.585,903 2.097,904 90.167,908 317.82,909 235.135,910 90.789,912 36.145,914 31.278,915 203.857,916 353.965,917 90.789,919 33.941,920 149.364,921 102.977,922 51.624,923 28.198,924 313.784,926 317.82,927 294.646,928 36.145,929 31.278,931 317.82,932 25.145,933 11,935 69.699,936 174.591,937 50.357,938 31.278,939 317.82,940 126.934,941 235.135,944 317.82,945 76.724,946 162.822,947 36.022,948 86.501,949 317.82,950 126.934,951 235.135,953 0.575,954 0.334,955 0.195,956 0.107,957 34,958 13,959 0.103,960 8,961 1,962 1.053,963 5.346,964 458.459,965 0.053,966 38,967 225.329,969 1,973 27.566,974 12.539,975 6.262,976 0.856,977 125.647,978 33.416,979 14.369,982 1.559,983 7.486,985 36.022,986 679.889,987 66.5,992 12.755,996 -0.071,998 72.163,999 80.394,1000 0.259,1001 0.605,1002 0.78,1003 0.896,1004 0.928,1005 0.932,1006 5.439,1007 2.055,1008 6.282,1009 6.802,1010 4.92,1011 5.517,1012 2.373,1013 7.086,1014 4.819,1015 6.636,1016 1.899,1017 7.822,1018 5.99,1019 4.369,1020 5.198,1021 1.668,1022 7.936,1023 4.225,1024 7.933,1025 1.73,1026 9.463,1027 5.071,1028 6.494,1029 7.719,1030 3.17,1031 11.09,1032 6.299,1033 9.268,1034 1.448,1035 11.168,1036 4.392,1037 6.815,1038 8.29,1039 3.181,1040 12.859,1041 6.564,1042 10.637,1043 1.423,1044 12.917,1045 4.138,1046 8.358,1047 10.235,1048 4.326,1049 15.521,1050 8.067,1051 12.032,1052 1.354,1053 14.698,1054 3.846,1055 9.104,1056 11.259,1057 4.656,1058 17.695,1059 8.749,1060 13.449,1061 1.259,1062 16.504,1063 2.987,1064 10.406,1065 12.954,1066 5.604,1067 20.213,1068 10.01,1069 3.327,1070 1.172,1071 18.329,1072 2.811,1073 11.366,1074 14.222,1075 6.091,1076 22.566,1077 10.905,1078 2.905,1079 12.063,1080 20.172,1081 2.613,1082 12.572,1083 15.809,1084 6.928,1085 25.048,1086 12.065,1087 2.758,1088 9.189,1089 22.028,1090 4.68,1091 13.64,1092 17.207,1093 7.501,1094 27.478,1095 13.069,1096 2.664,1097 8.634,1098 23.897,1099 3.778,1100 14.814,1101 18.752,1102 8.273,1103 29.957,1104 14.193,1105 2.59,1106 8.13,1107 25.776,1108 3.75,1109 15.937,1110 20.217,1111 8.894,1112 32.42,1113 15.253,1114 2.391,1115 7.583,1116 27.664,1117 3.634,1118 17.106,1119 21.751,1120 9.631,1121 34.901,1122 16.367,1123 2.296,1124 7.279,1125 29.561,1126 3.475,1127 18.259,1128 23.251,1129 10.279,1130 37.378,1131 17.458,1132 32648,1133 52183,1134 34.383,1135 50.972,1136 73.742,1137 74.379,1138 73.975,1139 72.922,1140 73.016,1141 98.223,1142 8.742,1143 207.131,1144 69.28,1145 5.738,1146 5.628,1147 6.823,1148 5.412,1149 5.327,1150 7.68,1151 3.497,1152 19.437,1153 5.144,1154 9.164,1155 1.505,1156 1.518,1157 1.51,1158 1.488,1159 1.49,1160 2.005,1161 0.178,1162 4.227,1163 1.414,1164 4.161,1165 4.196,1166 4.359,1167 4.068,1168 7.429,1169 4.057,1170 3.963,1171 4.004,1172 3.933,1173 3.873,1174 5.102,1175 3.869,1176 3.93,1177 3.962,1178 3.875,1179 3.849,1180 4.925,1181 3.849,1182 3.849,1183 3.881,1184 3.818,1185 3.792,1186 4.762,1187 3.776,1188 3.761,1189 3.815,1190 3.752,1191 3.613,1192 4.734,1193 3.617,1194 3.659,1195 3.704,1196 3.552,1197 3.475,1198 4.695,1199 3.484,1200 3.463,1201 3.497,1202 3.413,1203 3.276,1204 4.58,1205 3.294,1206 3.176,1207 3.216,1208 3.27,1209 3.104,1210 4.125,1211 3.081,1212 0.097,1213 0.074,1214 0.143,1215 0.087,1216 0.068,1217 4.738,1218 0.096,1219 3.628,1220 0.041,1221 7.021,1222 0.246,1223 4.267,1224 0.064,1225 3.327,1226 4.68,1227 1.987,1228 12.063,1229 3.144,1230 1.944,1231 1.917,1232 2.051,1233 2.067,1234 1.237,1235 2.058,1236 1.92,1237 1.888,1238 2.033,1239 2.034,1240 1.17,1241 2.037,1242 1.901,1243 1.873,1244 2.007,1245 1.99,1246 1.124,1247 1.997,1248 1.772,1249 1.73,1250 1.872,1251 1.939,1252 1.023,1253 1.926,1254 1.628,1255 1.574,1256 1.828,1257 1.833,1258 0.918,1259 1.835,1260 1.472,1261 1.421,1262 1.593,1263 1.696,1264 0.825,1265 1.666,1266 1.403,1267 1.371,1268 1.577,1269 1.62,1270 0.709,1271 1.603,1272 1.35,1273 1.339,1274 1.513,1275 1.43,1276 0.637,1277 1.461,1278 4.595,1280 5.916,1281 3.045,1282 7.428,1283 5.416,1284 9.028,1285 7.535,1286 10.675,1294 3.511,1296 6.418,1297 5.505,1300 2.316,1305 48.561,1306 115.237,1307 268.716,1308 346.567,1309 397.87,1310 412.235,1311 414.235,1312 59.941,1313 9.529,1314 96.68,1315 124.92,1316 40,1317 13.081,1318 5.129,1319 4.209,1320 58.174,1321 232,1322 269,1323 0.115,1324 295.409,1325 498.39,1326 712.558,1327 262428,1329 29.012,1330 0.675,1331 0.561,1332 29.365,1333 24.128,1334 21.192,1335 0.432,1336 0.306,1337 14.017,1338 20.009,1339 13.689,1340 11.272,1341 21.646,1342 15.005,1343 18.924,1344 0.278,1345 0.163,1346 19.508,1347 11.069,1348 16.081,1349 0.175,1350 0.087,1351 16.705,1352 8.023,1353 14.436,1354 0.113,1355 0.047,1356 15.143,1357 5.958,1358 11.705,1359 0.072,1360 0.025,1361 12.319,1362 3.983,1363 0.184,1364 136.469,1365 0.171,1366 38.353,1367 0.308,1368 234,1369 643.223,1370 277.808,1371 649.469,1372 910.04,1373 614,1374 277,1375 672.969,1376 316.622,1377 696.318,1378 1024.86,1379 658,1380 5.1}
{0 CHEMBL109834,1 1.637,2 9.966,3 2.837,4 8.047,5 113.724,6 8.178,7 0.5,8 4.015,9 4.13,10 3.665,11 3.59,12 5.144,13 3.571,14 4.55,15 4.724,16 4.054,17 4.001,18 5.656,19 3.964,20 4.759,21 4.937,22 4.151,23 4.149,24 5.856,25 4.083,26 4.876,27 5.095,28 4.194,29 4.181,30 6.012,31 4.109,32 4.858,33 5.039,34 4.292,35 4.172,36 6.09,37 4.125,38 4.895,39 5.101,40 4.218,41 4.132,42 6.141,43 4.084,44 4.798,45 4.983,46 4.068,47 4.078,48 5.988,49 4.001,50 4.776,51 5.009,52 3.845,53 3.961,54 5.831,55 3.845,56 0.036,57 0.736,58 8.721,59 4.254,60 6.979,61 5.415,62 0.307,63 1.202,64 18.381,65 7.042,66 23.415,67 9.277,68 0.214,69 1.373,70 24.756,71 9.819,72 32.12,73 12.638,74 0.431,75 1.499,76 31.869,77 11.044,78 65.441,79 14.753,80 0.427,81 1.491,82 29.225,83 10.324,84 54.358,85 13.209,86 0.617,87 1.529,88 31.666,89 10.264,90 75.803,91 13.123,92 0.403,93 1.377,94 27.027,95 9.743,96 62.231,97 12.331,98 0.459,99 1.313,100 29.372,101 9.493,102 64.607,103 12.473,104 30,105 46,106 0.273,107 0.626,108 0.771,109 0.842,110 0.856,111 0.862,112 3.409,113 0.918,114 -4.37,115 -4.31,116 -4.06,119 44,121 1,124 2,125 2,136 2,142 6,143 3,144 1,145 1,151 1,158 2,161 1,172 10,174 1,175 8,178 2,180 2,183 12,188 8,193 2,196 12,199 2,200 8,205 2,208 11,212 1,213 8,216 1,218 4,221 9,224 3,225 10,228 1,230 2,233 8,237 1,238 9,243 1,246 6,250 7,258 5,262 1,263 2,266 1,271 4,275 1370,276 19.466,277 19.466,278 19.466,279 19.466,280 19.466,281 17.146,282 16.833,283 11.461,284 19.856,285 15.804,286 15.804,287 15.804,288 15.804,289 15.804,290 12.16,291 16.01,292 5.43,293 16.452,294 4.007,295 1.891,296 1.02,297 0.59,298 0.51,299 0.47,300 4.101,301 1,304 1,305 1,306 618,307 3.317,310 127.573,311 154.647,314 109.87,318 1.489,319 30.774,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.333,331 289,332 4.788,333 3.839,334 7.155,335 4.389,336 3.399,337 4.67,338 1.2,339 12.527,340 3.368,341 4.501,342 3.313,343 6.704,344 4.052,345 3.088,346 4.168,347 0.8,348 10.861,349 2.977,350 4.02,351 3.191,352 6.113,353 3.594,354 2.642,355 3.539,356 0.8,357 8.679,358 2.497,359 3.52,360 3.077,361 5.556,362 3.195,363 2.257,364 2.833,366 6.929,367 2.124,368 3.388,369 2.581,370 5.212,371 3.097,372 2.137,373 2.695,375 5.878,376 2.038,377 3.237,378 2.394,379 4.881,380 2.936,381 1.968,382 2.4,384 5.187,385 1.886,386 3.204,387 2.105,388 4.652,389 2.785,390 1.792,391 2.217,393 5.087,394 1.761,395 2.975,396 1.864,397 4.528,398 2.48,399 1.488,400 2.097,402 4.127,403 1.469,404 2.859,405 1.563,406 4.035,407 2.347,408 1.414,409 2.002,411 3.131,412 1.259,413 2.713,414 1.324,415 3.699,416 2.256,417 1.278,418 1.796,420 2.877,421 1.234,422 2.595,423 1.257,424 3.597,425 2.136,426 1.158,427 1.582,429 2.856,430 1.126,431 2.323,432 1.037,433 3.578,434 1.935,435 0.959,436 1.221,438 2.39,439 0.933,440 2.003,441 0.835,442 3.197,443 1.658,444 0.69,445 0.895,447 1.698,448 0.664,449 1.285,450 0.74,451 2.871,452 0.902,453 -0.041,454 -0.05,456 -0.099,457 -0.033,458 1,459 0.421,460 2.475,461 0.739,462 -0.202,463 -0.228,465 -0.477,466 -0.185,467 13.981,468 0.482,469 0.789,470 0.027,471 37.75,472 1.302,473 18.5,474 0.638,475 19.25,476 0.664,477 24.617,478 0.849,479 30.419,480 0.608,481 30.818,482 1.063,483 7.618,484 0.263,485 6.352,486 0.219,487 0.17,489 0.379,493 0.665,494 1.38,495 0.617,496 0.994,497 0.525,498 0.902,499 0.749,500 0.854,501 0.683,502 0.699,503 0.518,504 0.736,505 0.909,506 1.139,507 0.868,508 1.03,509 0.89,510 0.986,511 0.79,512 0.858,513 0.815,514 0.813,515 0.631,516 0.779,517 0.943,518 1.174,519 0.855,520 1.076,521 1.024,522 0.977,523 1.165,524 0.896,525 0.855,526 0.852,527 1.233,528 0.843,529 1.196,530 1.201,531 1.023,532 1.133,533 1.342,534 1.136,535 1.21,536 0.962,537 1.061,538 0.968,539 1.198,540 1.049,541 5,542 0.127,543 3.333,544 3.083,545 1.744,546 1.393,547 0.88,548 0.66,549 0.264,550 0.215,551 9406,552 26464,553 2.07,554 42,556 16,557 1,558 1,559 1,562 2,564 1.728,565 1.912,566 3.26,567 -0.336,568 1,569 1,574 81.847,575 1.637,576 3.753,577 4.623,578 5.054,579 5.134,580 5.174,581 2.767,582 4.651,583 4.823,584 3.429,585 1392.01,586 8.451,587 18042.5,589 1,591 1,592 282.193,593 1.487,594 4.777,595 0.156,596 0.008,597 0.072,598 0.064,599 0.035,600 0.027,601 0.018,602 0.016,603 0.009,604 0.01,605 0.415,606 0.17,607 1,608 1.275,609 144.084,610 -0.035,611 -0.221,612 0.03,613 -0.06,614 -0.033,615 -0.008,616 0.043,617 0.283,618 0.075,619 0.219,620 0.07,621 0.171,622 -0.06,623 -0.122,624 0.012,625 -0.047,626 -0.036,627 -0.022,628 0.093,629 0.13,630 0.153,631 0.172,632 0.192,633 0.212,634 0.126,635 -0.153,636 0.091,637 -0.112,638 0.087,639 -0.036,640 0.052,641 0.129,642 0.072,643 0.084,644 0.063,645 0.086,646 -0.087,647 -0.198,648 -0.113,649 -0.172,650 -0.109,651 -0.196,652 -0.169,653 0.019,654 -0.094,655 -0.008,656 -0.145,657 -0.078,658 2.101,659 5.767,660 0.69,661 26.197,662 1.007,663 1.122,664 3.142,665 9.874,666 0.693,667 3.497,668 3.85,669 4.174,670 4.533,671 4.779,672 4.92,673 5.112,674 5.252,675 5.303,676 5.318,677 5.964,678 0.662,679 408.92,680 3.497,681 5.056,682 5.932,683 6.845,684 7.751,685 8.677,686 9.598,687 10.529,688 11.458,689 12.393,690 8,693 1,697 1,698 1,700 1,705 2,706 8,707 1,711 3,712 1,713 16,731 1,732 50,734 19,735 1,736 32,738 53,739 22,740 13,741 2,742 4,743 4,745 4,746 5,747 1,757 1,759 17,760 5,763 3,768 2,772 4,775 1,778 21,779 5,780 1,781 7,782 1,787 4,789 1,792 0.75,793 2,802 1,804 1,808 2,809 2,812 1,828 2,831 1,835 3,839 2,840 1,843 29,851 3,853 1,857 1,866 1,867 4,870 2,874 15.167,875 9.743,876 6.333,877 2.966,878 3.391,879 1.435,880 1.005,881 5.439,882 11.183,883 3.784,884 4.416,885 5.073,886 5.744,887 6.312,888 6.692,889 7.184,890 7.628,891 7.896,892 8.209,893 0.857,894 48,895 10.765,897 4.673,898 7.814,899 20.365,901 16.829,903 2.314,904 67.111,907 1,908 235.422,909 128.431,910 39.82,911 39.149,912 50.29,915 128.431,916 324.861,917 39.82,918 16.793,919 24.757,920 65.905,921 89.971,922 32.887,923 11.771,924 211.88,925 39.149,926 235.422,927 168.251,928 50.29,929 39.149,931 211.88,932 73.832,935 40.543,936 110.923,937 55.934,939 235.422,940 90.11,941 167.58,944 235.422,945 36.686,946 96.768,947 18.011,948 106.224,949 235.422,950 90.11,951 167.58,953 0.583,954 0.342,955 0.2,956 0.113,957 23,958 11,959 0.113,960 6,961 1,962 1.1,963 3.867,964 271.2,965 0.1,966 20,967 136.881,973 19.683,974 8.014,975 3.681,976 1.626,977 88.21,978 14.465,979 4.514,983 1.666,984 2.043,985 18.011,986 493.112,987 43,992 25.402,996 -0.208,998 50.338,999 56.093,1000 0.29,1001 0.665,1002 0.819,1003 0.895,1004 0.91,1005 0.917,1006 5.037,1007 1.488,1008 5.938,1009 5.087,1010 4.533,1011 5.103,1012 1.812,1013 6.819,1014 4.462,1015 6.267,1016 1.414,1017 7.536,1018 4.127,1019 4.205,1020 5.007,1021 0.325,1022 7.879,1023 4.094,1024 7.599,1025 1.278,1026 9.243,1027 3.131,1028 6.176,1029 7.372,1030 1.861,1031 11.064,1032 6.057,1033 8.973,1034 1.158,1035 11.014,1036 2.877,1037 6.698,1038 8.15,1039 0.268,1040 13.011,1041 6.556,1042 10.386,1043 0.959,1044 12.828,1045 2.856,1046 8.164,1047 10.003,1048 2.05,1049 15.727,1050 8.013,1051 11.829,1052 0.69,1053 14.673,1054 2.39,1055 9.074,1056 11.188,1057 0.188,1058 18.016,1059 8.912,1060 13.294,1061 -0.041,1062 16.54,1063 1.698,1064 10.356,1065 12.836,1066 2.313,1067 20.585,1068 10.185,1069 3.399,1070 -0.202,1071 18.424,1072 -0.099,1073 11.434,1074 14.207,1075 0.125,1076 23.006,1077 11.257,1078 3.088,1079 12.527,1080 20.322,1081 -0.477,1082 12.655,1083 15.774,1084 2.618,1085 25.53,1086 12.47,1087 2.642,1088 10.861,1089 22.23,1090 4.67,1091 13.804,1092 17.228,1093 0.082,1094 28.003,1095 13.614,1096 2.257,1097 8.679,1098 24.145,1099 4.168,1100 15.007,1101 18.765,1102 2.946,1103 30.516,1104 14.81,1105 2.137,1106 6.929,1107 26.068,1108 3.539,1109 16.187,1110 20.257,1111 0.054,1112 33.012,1113 15.985,1114 1.968,1115 5.878,1116 27.996,1117 2.833,1118 17.388,1119 21.784,1120 3.289,1121 35.524,1122 17.18,1123 1.792,1124 5.187,1125 29.928,1126 2.695,1127 18.582,1128 23.295,1129 0.035,1130 38.032,1131 18.369,1132 9175,1133 15605,1134 21.096,1135 34.642,1136 49.316,1137 50.869,1138 51.064,1139 48.697,1140 48.538,1141 64.231,1142 5.6,1143 144.449,1144 46.672,1145 5.71,1146 5.839,1147 6.84,1148 5.432,1149 5.399,1150 7.67,1151 2.4,1152 20.275,1153 5.368,1154 15.607,1155 1.541,1156 1.59,1157 1.596,1158 1.522,1159 1.517,1160 2.007,1161 0.175,1162 4.514,1163 1.458,1164 4.16,1165 4.193,1166 4.147,1167 4.062,1168 7.45,1169 4.075,1170 3.938,1171 3.96,1172 3.999,1173 3.869,1174 7.408,1175 3.869,1176 3.707,1177 3.78,1178 3.709,1179 3.547,1180 5.022,1181 3.567,1182 3.678,1183 3.711,1184 3.547,1185 3.507,1186 4.925,1187 3.505,1188 3.44,1189 3.518,1190 3.317,1191 3.246,1192 4.384,1193 3.254,1194 3.207,1195 3.28,1196 3.289,1197 3.037,1198 4.341,1199 3.027,1200 2.913,1201 3.009,1202 3.045,1203 2.807,1204 4.3,1205 2.785,1206 2.883,1207 2.954,1208 2.869,1209 2.734,1210 4.086,1211 2.74,1212 0.15,1213 0.12,1214 0.224,1215 0.137,1216 0.106,1217 4.788,1218 0.146,1219 3.839,1220 0.038,1221 7.155,1222 0.391,1223 4.389,1224 0.105,1225 3.399,1226 4.67,1227 1.2,1228 12.527,1229 3.368,1230 1.939,1231 1.925,1232 2.005,1233 2.029,1234 1.262,1235 2.02,1236 1.867,1237 1.835,1238 1.98,1239 1.981,1240 1.158,1241 1.99,1242 1.727,1243 1.667,1244 1.919,1245 1.903,1246 1.034,1247 1.914,1248 1.557,1249 1.504,1250 1.746,1251 1.764,1252 0.879,1253 1.762,1254 1.373,1255 1.31,1256 1.58,1257 1.606,1258 0.713,1259 1.567,1260 1.27,1261 1.239,1262 1.417,1263 1.546,1264 0.519,1265 1.525,1266 1.11,1267 1.043,1268 1.372,1269 1.337,1270 0.469,1271 1.346,1272 0.934,1273 0.89,1274 1.331,1275 1.239,1276 0.327,1277 1.308,1278 4.174,1280 5.517,1281 3.045,1282 7.054,1283 5.533,1284 8.686,1285 7.727,1286 10.376,1288 4.069,1289 6.344,1294 2.638,1296 2.426,1300 2.126,1305 33.084,1306 81.847,1307 187.663,1308 231.173,1309 252.683,1310 256.683,1311 258.683,1312 58.052,1313 7.792,1314 70.99,1315 70.99,1316 22,1317 12.893,1318 4.322,1319 3.585,1320 44.328,1321 100,1322 123,1323 0.217,1324 206.457,1325 357.41,1326 495.515,1327 24738,1328 2,1329 20.543,1330 0.708,1331 0.587,1332 21.043,1333 17.032,1334 13.969,1335 0.437,1336 0.306,1337 9.311,1338 13.199,1339 9.006,1340 7.487,1341 14.258,1342 9.787,1343 12.867,1344 0.28,1345 0.167,1346 13.238,1347 7.688,1348 10.63,1349 0.166,1350 0.083,1351 10.989,1352 5.311,1353 9.558,1354 0.104,1355 0.043,1356 9.855,1357 3.913,1358 7.801,1359 0.066,1360 0.022,1361 8.091,1362 2.609,1363 0.329,1364 90.364,1365 0.218,1366 26.876,1367 0.634,1368 156,1369 456.943,1370 183.608,1371 475.187,1372 639.37,1373 442,1374 188,1375 446.431,1376 212.689,1377 466.538,1378 689.44,1379 437,1380 5.444}
{0 CHEMBL109977,1 1.633,2 10.733,3 1.163,4 1.352,5 110.164,6 8.089,7 0.485,8 4.029,9 4.135,10 3.66,11 3.562,12 5.235,13 3.571,14 4.543,15 4.695,16 4.008,17 3.955,18 5.729,19 3.942,20 4.741,21 4.918,22 4.098,23 4.083,24 5.872,25 4.058,26 4.813,27 4.984,28 4.169,29 4.146,30 6.051,31 4.123,32 4.907,33 5.072,34 4.241,35 4.195,36 6.158,37 4.17,38 4.961,39 5.149,40 4.207,41 4.168,42 6.245,43 4.136,44 4.899,45 5.091,46 4.036,47 4.073,48 6.136,49 4.026,50 4.796,51 5.007,52 3.825,53 3.916,54 5.984,55 3.85,56 0.092,57 0.742,58 8.593,59 4.233,60 9.564,61 5.029,62 0.431,63 1.175,64 17.237,65 6.964,66 36.165,67 8.56,68 0.356,69 1.361,70 22.504,71 9.119,72 48.425,73 11.492,74 0.509,75 1.471,76 23.974,77 9.453,78 71.03,79 11.759,80 0.595,81 1.594,82 26.12,83 10.353,84 61.376,85 12.863,86 0.778,87 1.634,88 29.73,89 10.717,90 85.91,91 13.556,92 0.661,93 1.502,94 28.309,95 10.01,96 88.246,97 12.462,98 0.663,99 1.32,100 26.901,101 9.089,102 92.706,103 11.546,104 25,105 46,106 0.271,107 0.647,108 0.81,109 0.882,110 0.895,111 0.901,112 3.441,113 0.864,114 -2.98,115 -2.99,116 -2.88,119 44,121 1,124 1,125 2,136 2,142 6,143 3,144 1,145 1,151 1,158 3,161 1,172 10,174 1,175 9,178 3,180 3,183 10,188 11,193 2,196 9,199 1,200 11,203 1,205 2,208 9,212 2,213 8,216 2,218 3,221 8,224 4,225 8,228 2,230 4,233 7,237 2,238 7,243 3,246 5,249 2,250 7,255 2,258 4,263 4,266 1,267 1,268 1,271 3,275 1516,276 20.759,277 20.759,278 20.759,279 20.759,280 20.759,281 18.361,282 19.95,283 12.517,284 21.168,285 16.224,286 16.224,287 16.224,288 16.224,289 16.224,290 12.347,291 18.892,292 5.805,293 16.71,294 4.011,295 1.746,296 0.765,297 0.335,298 0.255,299 0.215,300 4.137,304 1,305 1,306 688,307 3.317,310 132.21,311 161.688,314 113.862,318 1.684,319 37.018,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 66,331 322,332 4.789,333 3.838,334 7.159,335 4.393,336 3.4,337 4.67,338 1.2,339 12.546,340 3.376,341 4.505,342 3.309,343 6.711,344 4.061,345 3.093,346 4.175,347 1.058,348 10.9,349 2.994,350 4.047,351 3.186,352 6.162,353 3.65,354 2.679,355 3.56,356 0.86,357 8.913,358 2.597,359 3.52,360 3.016,361 5.598,362 3.159,363 2.185,364 2.833,365 0.8,366 7.047,367 2.125,368 3.384,369 2.895,370 5.236,371 2.988,372 2.004,373 2.695,375 5.937,376 1.961,377 3.241,378 2.403,379 4.899,380 2.805,381 1.813,382 2.404,384 5.231,385 1.784,386 2.98,387 2.131,388 4.578,389 2.665,390 1.705,391 2.1,393 4.245,394 1.629,395 2.925,396 1.899,397 4.139,398 2.508,399 1.534,400 2.074,402 3.425,403 1.485,404 2.917,405 1.662,406 3.805,407 2.451,408 1.464,409 1.923,411 3.261,412 1.435,413 2.715,414 1.588,415 3.63,416 2.239,417 1.253,418 1.789,420 2.866,421 1.231,422 2.602,423 1.292,424 3.586,425 2.134,426 1.145,427 1.581,429 2.776,430 1.124,431 2.394,432 1.189,433 3.56,434 1.962,435 0.966,436 1.274,438 2.216,439 0.955,440 2.177,441 0.946,442 3.064,443 1.706,444 0.724,445 0.996,447 1.592,448 0.706,449 1.674,450 0.923,451 2.889,452 1.361,453 0.473,454 0.547,456 0.754,457 0.414,458 1.463,459 0.766,460 2.656,461 1.149,462 0.143,463 0.176,465 0.244,466 0.142,467 13.933,468 0.464,469 0.607,470 0.02,471 40.5,472 1.35,473 20.5,474 0.683,475 20,476 0.667,477 23.13,478 0.771,479 31.667,480 0.633,481 34.197,482 1.14,483 8.434,484 0.281,485 6.217,486 0.207,487 0.108,489 0.352,493 0.727,494 1.323,495 0.703,496 1.061,497 0.518,498 0.901,499 0.814,500 0.908,501 0.848,502 0.828,503 0.597,504 0.836,505 0.869,506 1.055,507 0.804,508 0.966,509 0.806,510 0.886,511 0.886,512 0.976,513 0.885,514 0.947,515 0.716,516 0.912,517 0.89,518 1.165,519 0.95,520 1.13,521 0.944,522 1.069,523 0.968,524 1.024,525 0.979,526 1.022,527 1.101,528 1.008,529 1.196,530 1.09,531 1.152,532 1.091,533 1.281,534 1.108,535 1.215,536 1.009,537 1.183,538 1.029,539 1.32,540 1.088,541 4,542 0.115,543 3.111,544 2.958,545 1.784,546 1.456,547 0.935,548 0.557,549 0.306,550 0.184,551 10323,552 32572,553 2.087,554 40,556 13,557 1,558 2,559 2,562 2,564 1.736,565 1.957,566 3.337,567 0.243,568 1,569 1,574 81.647,575 1.633,576 3.897,577 4.879,578 5.309,579 5.389,580 5.429,581 2.908,582 4.774,583 4.87,584 3.493,585 1519.48,586 8.546,587 20195,589 1,592 282.193,593 1.4,594 4.839,595 0.121,596 0.007,597 0.068,598 0.059,599 0.034,600 0.026,601 0.018,602 0.013,603 0.009,604 0.007,605 0.362,606 0.33,607 1,608 1.466,609 151.032,610 -0.065,611 -0.168,612 0.04,613 -0.054,614 -0.019,615 0.005,616 0.021,617 0.199,618 0.003,619 0.149,620 0.016,621 0.084,622 -0.064,623 -0.039,624 0.099,625 0.043,626 -0.041,627 0.098,628 -0.02,629 0.066,630 0.015,631 0.042,632 0.071,633 0.044,634 0.05,635 -0.136,636 -0.041,637 -0.146,638 -0.016,639 -0.122,640 0.06,641 -0.019,642 -0.011,643 -0.055,644 -0.007,645 -0.054,646 -0.135,647 -0.103,648 -0.172,649 -0.124,650 -0.128,651 -0.151,652 -0.137,653 -0.052,654 -0.165,655 -0.063,656 -0.164,657 -0.111,658 2.125,659 5.812,660 0.667,661 28.804,662 1.016,663 1.123,664 1.753,665 3.075,666 0.679,667 3.526,668 3.85,669 4.205,670 4.564,671 4.812,672 4.956,673 5.147,674 5.278,675 5.333,676 5.371,677 6.179,678 0.663,679 404.46,680 3.526,681 5.069,682 5.948,683 6.855,684 7.766,685 8.69,686 9.614,687 10.546,688 11.477,689 12.412,690 8,697 2,698 1,700 1,705 2,706 8,707 1,711 3,712 1,713 16,730 1,732 50,734 20,735 1,736 33,738 53,739 22,740 13,741 2,742 4,743 4,745 4,746 5,757 1,759 18,760 4,763 4,768 3,770 1,772 4,775 1,778 20,779 7,780 2,781 8,787 4,789 1,792 0.75,793 4,802 1,804 1,808 2,809 2,812 1,822 1,828 2,835 3,839 1,843 30,851 3,853 2,854 1,867 8,870 3,872 1,874 15.333,875 9.317,876 6.833,877 2.903,878 3.499,879 1.444,880 0.998,881 5.75,882 11.381,883 3.829,884 4.428,885 5.098,886 5.767,887 6.334,888 6.716,889 7.21,890 7.644,891 7.923,892 8.253,893 1,894 50,895 11.109,897 4.802,898 7.967,899 20.71,901 16.893,903 2.467,904 74,908 211.88,909 135.26,910 54.706,912 86.435,915 135.26,916 298.315,917 54.706,918 10.883,919 42.767,920 65.905,921 137.882,922 42.505,923 11.771,924 176.567,926 211.88,927 189.966,928 86.435,931 188.338,932 109.977,935 55.429,936 117.751,937 16.786,939 211.88,940 141.141,941 135.26,944 211.88,945 38.429,946 98.73,947 36.022,948 103.22,949 211.88,950 141.141,951 135.26,953 0.566,954 0.348,955 0.209,956 0.118,957 22,958 10,959 0.132,960 7,961 1,962 1.1,963 3.97,964 282.367,965 0.1,966 20,967 147.207,973 20.019,974 8.617,975 3.687,976 1.478,977 139.242,978 14.297,979 4.457,983 1.695,984 1.931,985 36.022,986 488.281,987 45,992 36,994 0.663,996 -0.332,998 50.785,999 56.152,1000 0.289,1001 0.691,1002 0.864,1003 0.941,1004 0.955,1005 0.962,1006 5.063,1007 1.534,1008 5.932,1009 4.245,1010 4.533,1011 5.115,1012 2.184,1013 6.815,1014 4.483,1015 6.277,1016 1.464,1017 7.527,1018 3.425,1019 4.111,1020 4.966,1022 7.879,1023 4.06,1024 7.601,1025 1.253,1026 9.233,1027 3.261,1028 6.168,1029 7.378,1030 2.259,1031 11.078,1032 6.078,1033 8.972,1034 1.145,1035 11.008,1036 2.866,1037 6.661,1038 8.145,1040 13.033,1041 6.571,1042 10.385,1043 0.966,1044 12.827,1045 2.776,1046 8.159,1047 10.008,1048 2.408,1049 15.75,1050 8.043,1051 11.829,1052 0.724,1053 14.677,1054 2.216,1055 9.064,1056 11.192,1058 18.042,1059 8.946,1060 13.296,1061 0.473,1062 16.548,1063 1.592,1064 10.359,1065 12.842,1066 2.616,1067 20.61,1068 10.224,1069 3.4,1070 0.143,1071 18.436,1072 0.754,1073 11.438,1074 14.213,1076 23.031,1077 11.299,1078 3.093,1079 12.546,1080 20.336,1081 0.244,1082 12.664,1083 15.78,1084 2.866,1085 25.555,1086 12.513,1087 2.679,1088 10.9,1089 22.245,1090 4.67,1091 13.815,1092 17.234,1094 28.029,1095 13.66,1096 2.185,1097 8.913,1098 24.162,1099 4.175,1100 15.02,1101 18.771,1102 3.146,1103 30.542,1104 14.857,1105 2.004,1106 7.047,1107 26.086,1108 3.56,1109 16.201,1110 20.262,1112 33.039,1113 16.033,1114 1.813,1115 5.937,1116 28.014,1117 2.833,1118 17.402,1119 21.79,1120 3.448,1121 35.551,1122 17.228,1123 1.705,1124 5.231,1125 29.947,1126 2.695,1127 18.597,1128 23.3,1130 38.059,1131 18.418,1132 10096,1133 18033,1134 22.076,1135 33.932,1136 49.759,1137 52.706,1138 51.971,1139 49.1,1140 49.163,1141 65.595,1142 7.837,1143 143.904,1144 47.916,1145 5.713,1146 5.838,1147 7.094,1148 5.436,1149 5.4,1150 7.67,1151 2.4,1152 20.3,1153 5.376,1154 14.319,1155 1.508,1156 1.597,1157 1.575,1158 1.488,1159 1.49,1160 1.988,1161 0.237,1162 4.361,1163 1.452,1164 4.16,1165 4.193,1166 4.134,1167 4.06,1168 7.456,1169 4.074,1170 3.943,1171 3.964,1172 3.905,1173 3.857,1174 7.449,1175 3.864,1176 3.7,1177 3.74,1178 3.653,1179 3.542,1180 7.408,1181 3.565,1182 3.654,1183 3.708,1184 3.526,1185 3.476,1186 5.019,1187 3.474,1188 3.41,1189 3.471,1190 3.314,1191 3.201,1192 4.857,1193 3.219,1194 3.249,1195 3.315,1196 3.075,1197 2.969,1198 4.4,1199 2.984,1200 3.193,1201 3.241,1202 3.063,1203 2.954,1204 4.35,1205 2.978,1206 2.905,1207 2.953,1208 2.873,1209 2.734,1210 4.176,1211 2.744,1212 0.145,1213 0.116,1214 0.217,1215 0.133,1216 0.103,1217 4.789,1218 0.142,1219 3.838,1220 0.036,1221 7.159,1222 0.38,1223 4.393,1224 0.102,1225 3.4,1226 4.67,1227 1.2,1228 12.546,1229 3.376,1230 1.939,1231 1.924,1232 2.016,1233 2.029,1234 1.242,1235 2.021,1236 1.866,1237 1.835,1238 1.973,1239 1.998,1240 1.16,1241 1.996,1242 1.712,1243 1.657,1244 1.901,1245 1.884,1246 1.032,1247 1.892,1248 1.516,1249 1.476,1250 1.646,1251 1.72,1252 0.79,1253 1.697,1254 1.3,1255 1.262,1256 1.573,1257 1.602,1258 0.594,1259 1.536,1260 1.257,1261 1.215,1262 1.468,1263 1.525,1264 0.574,1265 1.53,1266 1.197,1267 1.124,1268 1.362,1269 1.506,1270 0.343,1271 1.502,1272 1.046,1273 1.001,1274 1.254,1275 1.312,1276 0.228,1277 1.299,1278 4.205,1280 5.525,1281 3.045,1282 7.055,1283 5.533,1284 8.689,1285 7.727,1286 10.383,1288 1.525,1294 1.822,1296 5.049,1297 5.416,1305 33.159,1306 81.647,1307 194.869,1308 243.928,1309 265.438,1310 269.438,1311 271.438,1312 62.265,1313 7.882,1314 106.08,1315 106.08,1316 22,1317 12.912,1318 4.392,1319 3.7,1320 46.657,1321 107,1322 156,1323 0.214,1324 203.189,1325 357.14,1326 487.542,1327 28006,1329 21.087,1330 0.703,1331 0.545,1332 21.087,1333 16.345,1334 14.651,1335 0.444,1336 0.288,1337 9.333,1338 13.975,1339 9.153,1340 7.583,1341 14.651,1342 9.5,1343 12.583,1344 0.274,1345 0.147,1346 12.583,1347 6.77,1348 11.017,1349 0.167,1350 0.076,1351 11.017,1352 5.014,1353 9.936,1354 0.105,1355 0.039,1356 9.936,1357 3.723,1358 8.127,1359 0.067,1360 0.021,1361 8.127,1362 2.526,1363 0.325,1364 92.823,1365 0.213,1366 27.722,1367 0.621,1368 158,1369 522.898,1370 174.489,1371 496.438,1372 670.1,1373 464,1374 191,1375 480.841,1376 207.3,1377 486.949,1378 717.33,1379 457,1380 5.06}
{0 CHEMBL116070,1 1.898,2 8.55,3 3.143,4 9.881,5 81.507,6 12.042,7 0.727,8 3.513,9 3.582,10 3.534,11 3.235,12 4.777,13 3.191,14 3.943,15 4.021,16 3.991,17 3.623,18 5.265,19 3.552,20 4.129,21 4.222,22 4.023,23 3.636,24 5.398,25 3.553,26 4.028,27 4.15,28 3.71,29 3.452,30 5.234,31 3.38,32 3.876,33 4.03,34 3.586,35 3.316,36 5.069,37 3.262,38 3.903,39 4.043,40 3.611,41 3.352,42 5.342,43 3.277,44 3.868,45 4.06,46 3.523,47 3.296,48 4.921,49 3.124,50 3.513,51 3.686,52 3.575,53 3.012,54 4.712,55 2.831,56 0.082,57 0.371,58 0.346,59 2.166,60 7.899,61 2.041,62 0.166,63 0.57,64 1.287,65 3.812,66 20.072,67 3.682,68 0.336,69 0.69,70 17.876,71 6.235,72 25.447,73 4.95,74 0.276,75 0.624,76 17.951,77 5.641,78 24.202,79 4.671,80 0.202,81 0.551,82 8.956,83 4.257,84 16.019,85 4.387,86 0.33,87 0.598,88 2.755,89 3.68,90 32.443,91 3.733,92 0.238,93 0.585,94 9.864,95 4.995,96 24.043,97 4.734,98 0.135,99 0.369,100 14.306,101 4.157,102 10.458,103 4.098,104 11,105 31,106 0.357,107 0.671,108 0.786,109 0.848,110 0.848,111 0.848,112 3.058,113 1.002,114 -3.41,115 -3.39,116 -3.24,117 1,119 48.3,142 5,143 1,144 3,145 2,152 2,158 1,163 1,164 1,165 1,172 3,175 3,177 1,178 1,183 6,187 1,188 7,193 2,196 4,198 2,200 3,205 1,208 2,210 1,213 3,221 4,224 2,225 2,227 2,228 2,233 4,246 3,250 3,255 2,258 1,260 2,263 2,268 2,271 1,273 2,275 488,276 13.378,277 13.378,278 13.378,279 13.378,280 13.378,281 11.328,282 10.938,283 7.836,284 13.859,285 10.866,286 10.866,287 10.866,288 10.866,289 10.866,290 7.79,291 11.167,292 3.749,293 11.777,294 2.96,295 1.285,296 0.676,297 0.345,298 0.345,299 0.345,300 3.736,304 1,305 1,306 366,307 2.646,310 39.057,311 109.204,314 75.218,318 1.25,319 19.205,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 42.75,331 171,332 4.586,333 3.522,334 6.585,335 4.08,336 3.137,337 4.534,338 0.98,339 10.525,340 2.95,341 4.037,342 3.221,343 5.854,344 3.599,345 2.665,346 3.626,347 0.86,348 8.024,349 2.487,350 3.888,351 2.914,352 5.465,353 3.454,354 2.495,355 3.321,357 7.178,358 2.367,359 3.493,360 2.65,361 5.106,362 3.012,363 2.136,364 2.82,366 6.051,367 1.811,368 3.257,369 2.101,370 4.83,371 2.738,372 1.829,373 2.557,375 5.386,376 1.57,377 2.997,378 1.703,379 4.136,380 2.445,381 1.493,382 2.214,384 3.632,385 1.414,386 2.544,387 1.335,388 3.681,389 2,390 1,391 1.5,393 2.468,394 1,395 2.5,396 1,397 3.414,398 1.958,399 1,400 1.467,402 2.275,403 0.934,404 2.106,405 0.928,406 3.339,407 1.545,408 0.688,409 0.949,411 1.832,412 0.572,413 1.442,414 0.524,415 2.855,416 0.98,417 0.128,418 0.163,420 0.309,421 0.094,422 1.014,423 0.119,424 2.332,425 0.493,426 -0.356,427 -0.46,429 -0.84,430 -0.243,431 0.514,432 -0.003,433 2,434 0.058,435 -0.882,436 -1.101,438 -2,439 -0.652,440 0.5,441 -0.525,442 2,444 -1,445 -1.299,447 -2.347,448 -0.913,449 0.5,450 -1,451 2,452 -0.04,453 -1,454 -1.5,456 -2.873,457 -1,458 0.396,459 -1,460 1.715,461 -0.065,462 -1,463 -1.5,465 -3,466 -1.011,467 10.633,468 0.532,469 0.541,470 0.027,471 28.5,472 1.425,473 16,474 0.8,475 12.5,476 0.625,477 14.312,478 0.716,479 19.367,480 0.668,481 16.936,482 0.847,483 5.375,484 0.269,485 4.256,486 0.213,487 0.194,489 0.329,493 0.802,494 0.86,495 0.49,496 0.616,497 0.74,498 0.629,499 0.803,500 0.875,501 0.615,502 0.737,503 0.516,504 0.75,505 1.327,506 1.12,507 1.127,508 1.233,509 1.067,510 1.082,511 1.37,512 1.18,513 0.998,514 1.18,515 1.075,516 1.126,517 0.722,518 1.071,519 0.383,520 0.836,521 0.652,522 0.902,523 0.613,524 0.909,525 0.414,526 0.698,527 0.921,528 0.97,529 0.968,530 0.872,531 0.759,532 0.889,533 0.895,534 1.057,535 0.635,536 1.154,537 1.673,538 1.396,539 0.737,540 1.19,541 4.5,542 0.058,543 2.222,544 1.132,545 1.286,546 0.434,547 0.403,548 0.283,549 0.158,550 0.096,551 3709,552 14403,553 2.077,554 31,556 5,558 2,559 2,564 1.618,565 1.935,566 3.092,567 0.41,569 1,571 1,574 55.049,575 1.898,576 3.573,577 4.182,578 4.513,579 4.513,580 4.513,581 2.485,582 3.784,583 4.292,584 3.195,585 607.072,586 7.335,587 6117.76,588 1,589 1,590 1,591 1,592 140.881,593 1.441,594 4.248,595 0.205,596 0.019,597 0.072,598 0.039,599 0.054,600 0.02,601 0.018,602 0.019,603 0.013,604 0.012,605 0.47,606 0.5,607 1,608 0.843,609 88.066,610 -0.115,611 0.104,612 -0.007,613 0.079,614 -0.155,615 0.074,616 0.008,617 0.075,618 0.008,619 0.076,620 0.132,621 0.031,622 -0.132,623 -0.184,624 -0.145,625 -0.205,626 -0.118,627 -0.174,628 -0.226,629 -0.232,630 -0.153,631 -0.232,632 -0.188,633 -0.198,634 0.084,635 -0.126,636 0.074,637 -0.065,638 0.074,639 0.04,640 0.335,641 0.128,642 0.018,643 0.039,644 0.199,645 -0.121,646 -0.176,647 0.146,648 0.005,649 0.116,650 -0.142,651 0.035,652 0.1,653 -0.227,654 -0.048,655 -0.144,656 0.172,657 0.005,658 2.11,659 4.244,660 0.75,661 13.92,662 1.024,663 1.098,664 2.18,665 4.754,666 0.792,667 3.135,668 3.466,669 3.714,670 3.97,671 4.22,672 4.263,673 4.29,674 4.419,675 4.369,676 4.317,677 5.04,678 0.751,679 349.22,680 3.135,681 4.673,682 5.517,683 6.395,684 7.265,685 8.148,686 9.027,687 9.912,688 10.796,689 11.684,690 6.9,697 1,700 1,705 2,706 7,707 1,710 1,711 4,713 16,719 1,730 1,731 1,732 29,734 17,735 1,736 22,737 1,738 31,739 14,740 13,741 2,742 4,743 1,745 3,746 4,759 14,763 1,768 1,772 1,775 1,778 9,779 4,780 2,781 6,782 2,787 2,792 0.667,793 2,802 1,808 1,809 2,812 1,835 2,837 1,838 1,843 20,844 1,854 1,862 1,866 1,867 6.9,870 1,872 1,874 10.333,875 5.26,876 4.333,877 1.537,878 3.223,879 1.478,880 1.028,881 3.721,882 9.963,883 3.466,884 4.123,885 4.735,886 5.356,887 5.924,888 6.231,889 6.559,890 7.018,891 7.189,892 7.442,893 0.833,894 29,895 7.325,897 3.12,898 7.888,899 13.703,901 11.118,903 2.388,904 47.75,908 82.398,909 119.678,910 95.637,912 36.145,914 31.278,915 134.354,916 118.543,917 49.683,919 32.897,920 47.381,921 70.177,922 45.21,923 2.104,924 90.133,925 45.954,926 82.398,927 138.083,928 36.145,929 31.278,930 45.954,931 82.398,932 36.145,935 50.992,936 70.305,937 16.786,938 77.232,939 82.398,940 85.828,941 165.632,944 82.398,945 54.201,946 65.476,947 45.954,948 85.828,949 82.398,950 85.828,951 165.632,953 0.587,954 0.333,955 0.173,956 0.104,957 16,958 7,959 0.097,960 3,961 1,962 1.133,963 3.247,964 150.995,965 0.133,966 15,967 82.439,969 1,973 13.525,974 5.502,975 2.864,976 1.704,977 85.828,978 12.548,979 4.123,982 1.308,983 2.782,985 32.897,986 333.857,987 31,992 11.244,996 -0.444,998 29.698,999 31.838,1000 0.391,1001 0.736,1002 0.861,1003 0.929,1004 0.929,1005 0.929,1006 4.682,1007 1,1008 5.509,1009 2.468,1010 4.143,1011 4.808,1012 1.481,1013 6.308,1014 3.99,1015 5.916,1016 0.688,1017 7.062,1018 2.275,1019 3.761,1020 4.677,1022 7.172,1023 3.505,1024 7.234,1025 0.128,1026 8.711,1027 1.832,1028 5.727,1029 7.085,1030 1.37,1031 10.252,1032 5.448,1033 8.588,1034 -0.356,1035 10.416,1036 0.309,1037 6.133,1038 7.78,1040 11.948,1041 5.762,1042 9.972,1043 -0.882,1044 12.156,1045 -0.84,1046 7.592,1047 9.665,1048 1.275,1049 14.55,1050 7.2,1051 11.379,1052 -1,1053 13.922,1054 -2,1055 8.366,1056 10.765,1058 16.61,1059 7.89,1060 12.803,1061 -1,1062 15.707,1063 -2.347,1064 9.62,1065 12.43,1066 1.193,1067 19.046,1068 9.114,1069 3.137,1070 -1,1071 17.507,1072 -2.873,1073 10.575,1074 13.737,1076 21.27,1077 9.991,1078 2.665,1079 10.525,1080 19.32,1081 -3,1082 11.746,1083 15.307,1084 1.123,1085 23.648,1086 11.123,1087 2.495,1088 8.024,1089 21.143,1090 4.534,1091 12.791,1092 16.719,1094 25.944,1095 12.095,1096 2.136,1097 7.178,1098 22.974,1099 3.626,1100 13.931,1101 18.249,1102 1.062,1103 28.303,1104 13.187,1105 1.829,1106 6.051,1107 24.813,1108 3.321,1109 15.02,1110 19.711,1112 30.63,1113 14.208,1114 1.493,1115 5.386,1116 26.657,1117 2.82,1118 16.151,1119 21.226,1120 1.01,1121 32.983,1122 15.285,1123 1,1124 3.632,1125 28.508,1126 2.557,1127 17.263,1128 22.713,1130 35.324,1131 16.332,1132 3650,1133 7291,1134 14.622,1135 22.966,1136 33.515,1137 34.341,1138 34.169,1139 33.259,1140 33.144,1141 46.298,1142 3.68,1143 95.358,1144 30.401,1145 5.346,1146 5.522,1147 6.112,1148 5.209,1149 5.137,1150 7.534,1151 1.96,1152 17.43,1153 4.95,1154 9.617,1155 1.523,1156 1.561,1157 1.553,1158 1.512,1159 1.507,1160 2.104,1161 0.167,1162 4.334,1163 1.382,1164 4.077,1165 4.081,1166 6.88,1167 4.081,1168 7.437,1169 4.033,1170 3.868,1171 3.885,1172 4.334,1173 3.84,1174 5.031,1175 3.816,1176 3.488,1177 3.524,1178 3.748,1179 3.31,1180 4.879,1181 3.32,1182 3.076,1183 3.133,1184 3.488,1185 2.941,1186 4.764,1187 2.914,1188 3,1189 3.019,1190 3.174,1191 2.8,1192 4.251,1193 2.803,1194 2.854,1195 2.925,1196 2.886,1197 2.735,1198 4.249,1199 2.715,1200 2.742,1201 2.773,1202 2.687,1203 2.723,1204 3.674,1205 2.681,1206 2.35,1207 2.44,1208 2.564,1209 2.074,1210 3.575,1211 2.038,1212 0.208,1213 0.16,1214 0.299,1215 0.185,1216 0.143,1217 4.586,1218 0.206,1219 3.522,1220 0.045,1221 6.585,1222 0.478,1223 4.08,1224 0.134,1225 3.137,1226 4.534,1227 0.98,1228 10.525,1229 2.95,1230 1.899,1231 1.886,1232 1.961,1233 1.999,1234 1.075,1235 1.993,1236 1.809,1237 1.79,1238 1.869,1239 1.88,1240 1.014,1241 1.892,1242 1.535,1243 1.539,1244 1.538,1245 1.696,1246 0.685,1247 1.68,1248 0.963,1249 0.942,1250 1.189,1251 1.232,1252 0.218,1253 1.244,1254 0.898,1255 0.839,1256 1.181,1257 1.069,1258 0.165,1259 1.107,1260 0.886,1261 0.821,1262 1.047,1263 1.062,1264 0.057,1265 1.076,1266 0.781,1267 0.755,1268 0.889,1269 0.901,1271 0.941,1272 0.496,1273 0.433,1274 0.648,1275 0.723,1277 0.745,1278 3.807,1280 5.13,1281 2.398,1282 6.64,1283 4.727,1284 8.235,1285 6.862,1286 9.874,1287 3.372,1292 5.302,1297 5.811,1305 21.792,1306 55.049,1307 103.62,1308 121.272,1309 130.881,1310 130.881,1311 130.881,1312 27.937,1313 6.739,1314 65.21,1315 93.45,1316 17,1317 12.216,1318 4.17,1319 3.322,1320 29.947,1321 59,1322 64,1323 0.252,1324 144.09,1325 237.23,1326 343.339,1327 6717,1328 3.4,1329 14.113,1330 0.706,1331 0.629,1332 15.466,1333 12.571,1334 9.631,1335 0.438,1336 0.334,1337 5.792,1338 8.307,1339 5.557,1340 4.574,1341 10.617,1342 7.35,1343 8.952,1344 0.289,1345 0.196,1346 10.411,1347 6.08,1348 7.256,1349 0.181,1350 0.108,1351 8.708,1352 4.307,1353 5.797,1354 0.111,1355 0.056,1356 6.968,1357 2.93,1358 4.971,1359 0.074,1360 0.03,1361 6.163,1362 2.012,1363 0.386,1364 72.423,1365 0.262,1366 19.768,1367 0.715,1368 106,1369 347.943,1370 206.33,1371 394.136,1372 524.24,1373 366,1374 124,1375 342.343,1376 185.292,1377 374.158,1378 546.41,1379 352,1380 5.1}
{0 CHEMBL1164265,1 1.657,2 13.242,3 4.693,4 22.027,5 130.49,6 8.121,7 0.486,8 4.179,9 4.306,10 3.823,11 3.704,12 5.27,13 3.696,14 4.749,15 4.943,16 4.216,17 4.12,18 5.806,19 4.097,20 5.02,21 5.228,22 4.387,23 4.317,24 6.12,25 4.258,26 5.115,27 5.355,28 4.261,29 4.301,30 6.164,31 4.2,32 5.056,33 5.324,34 4.148,35 4.221,36 6.119,37 4.119,38 4.874,39 5.092,40 4.175,41 4.16,42 5.927,43 4.083,44 4.859,45 5.071,46 4.182,47 4.095,48 6.071,49 4.036,50 4.8,51 5.032,52 3.972,53 4.014,54 5.934,55 3.922,56 0.072,57 1.046,58 10.59,59 4.977,60 8.217,61 6.408,62 0.37,63 1.687,64 23.046,65 8.072,66 23.102,67 10.741,68 0.593,69 2.075,70 33.806,71 11.932,72 55.953,73 15.406,74 0.771,75 2.069,76 43.077,77 13.53,78 82.692,79 18.122,80 0.858,81 2.014,82 39.458,83 12.472,84 100.919,85 17.461,86 0.382,87 1.758,88 31.175,89 11.197,90 41.846,91 14.585,92 0.712,93 1.81,94 32.778,95 10.127,96 72.513,97 12.756,98 0.547,99 1.644,100 28.72,101 10.055,102 63.295,103 13.103,104 17,105 53,106 0.269,107 0.587,108 0.728,109 0.834,110 0.861,111 0.866,112 3.532,113 0.923,114 -5.34,115 -5.22,116 -4.88,119 41.4,124 1,125 7,142 5,143 3,144 4,145 2,147 2,172 5,174 1,175 6,178 1,183 5,187 2,188 6,191 1,193 1,196 4,200 6,205 1,208 3,212 2,213 6,218 2,221 1,224 1,225 3,230 1,233 3,237 1,238 3,241 1,243 3,246 4,249 1,250 3,255 1,258 4,263 1,266 1,271 3,275 1937,276 22.378,277 22.378,278 22.378,279 22.378,280 22.378,281 20.133,282 28.849,283 12.893,284 23.073,285 18.209,286 18.209,287 18.209,288 18.209,289 18.209,290 14.855,291 43.234,292 6.094,293 19.462,294 4.201,295 2.246,296 1.382,297 0.729,298 0.565,299 0.53,300 4.241,301 1,305 1,306 962,307 2.646,311 487.222,315 147.486,318 2.129,319 38.264,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 72.333,331 437,332 4.464,333 3.541,334 6.625,335 4.094,336 3.148,337 4.137,338 0.916,339 10.561,340 2.99,341 4.385,342 3.258,343 6.49,344 3.966,345 3.019,346 4.06,347 0.8,348 10.024,349 2.835,350 4.155,351 3.138,352 6.178,353 3.822,354 2.889,355 3.685,356 0.8,357 9.16,358 2.696,359 3.885,360 2.857,361 6.047,362 3.629,363 2.668,364 3.192,365 0.4,366 8.73,367 2.54,368 3.537,369 2.766,370 5.458,371 3.223,372 2.301,373 2.859,374 0.172,375 6.666,376 2.119,377 3.392,378 2.603,379 5.171,380 3.126,381 2.217,382 2.478,384 6.109,385 1.991,386 3.253,387 2.378,388 5.047,389 2.937,390 2.028,391 2.397,393 6.05,394 1.825,395 3.021,396 2.175,397 4.542,398 2.66,399 1.708,400 2.197,402 4.684,403 1.622,404 2.998,405 1.856,406 4.488,407 2.563,408 1.629,409 2.146,411 4.332,412 1.485,413 2.61,414 1.622,415 4.224,416 2.387,417 1.437,418 1.627,420 3.758,421 1.361,422 2.528,423 1.464,424 4.061,425 2.17,426 1.211,427 1.534,429 3.302,430 1.158,431 2.5,432 1.285,433 3.468,434 1.967,435 1,436 1.5,438 2.319,439 0.965,440 2.199,441 1.146,442 3.414,443 1.958,444 1,445 1.154,447 2.275,448 0.955,449 2,450 1,451 3.414,452 1.883,453 0.955,454 1,456 2.275,457 0.875,458 1.579,459 0.954,460 3.2,461 1.312,462 0.444,463 0.484,465 1.127,466 0.351,467 15.686,468 0.475,469 0.853,470 0.026,471 42.5,472 1.288,473 19.5,474 0.591,475 23,476 0.697,477 29.784,478 0.903,479 35.914,480 0.619,481 33.528,482 1.016,483 8.472,484 0.257,485 7.519,486 0.228,487 0.114,489 0.363,491 2,493 0.642,494 1.28,495 0.616,496 1.075,497 0.501,498 0.954,499 0.853,500 0.947,501 0.731,502 0.782,503 0.547,504 0.793,505 0.851,506 1.042,507 0.847,508 1.01,509 0.744,510 1.005,511 0.85,512 1.005,513 1.034,514 1.12,515 0.86,516 1.105,517 0.666,518 0.682,519 0.774,520 0.767,521 0.604,522 0.833,523 0.856,524 1.095,525 0.937,526 1.07,527 0.836,528 1.01,529 1.18,530 1.072,531 1.166,532 1.076,533 1.279,534 1.043,535 0.971,536 1.035,537 0.961,538 1.067,539 1.097,540 1.089,541 6.5,542 0.161,543 4.889,544 1.875,545 1.836,546 1.243,547 0.813,548 0.439,549 0.41,550 0.308,551 16477,552 46104,553 2.131,554 43.1,556 22,558 2,559 1,564 1.751,565 2,566 3.66,567 -0.322,574 96.118,575 1.657,576 3.612,577 4.476,578 5.129,579 5.293,580 5.328,581 3.132,582 4.718,583 5.014,584 3.845,585 2030.13,586 8.776,587 30365.3,592 339.763,593 1.393,594 4.979,595 0.176,596 0.005,597 0.092,598 0.033,599 0.038,600 0.027,601 0.017,602 0.01,603 0.011,604 0.01,605 0.419,606 0.33,607 0.75,608 0.522,609 175.717,610 -0.036,611 -0.24,612 0.039,613 -0.1,614 -0.009,615 -0.024,616 -0.096,617 0.032,618 0.034,619 0.13,620 0.024,621 0.117,622 0.011,623 -0.049,624 0.026,625 -0.045,626 0.054,627 -0.049,628 0.025,629 -0.086,630 -0.046,631 -0.134,632 -0.009,633 -0.11,634 0.124,635 0.175,636 0.114,637 0.181,638 0.133,639 0.164,640 -0.022,641 -0.152,642 0.036,643 -0.055,644 -0.018,645 -0.004,646 0.004,647 0.037,648 -0.091,649 -0.076,650 -0.048,651 -0.089,652 0.016,653 -0.011,654 -0.052,655 -0.077,656 -0.037,657 -0.104,658 2.29,659 6.394,660 0.848,661 36.863,662 1.012,663 1.141,664 4.107,665 16.87,666 0.675,667 3.638,668 3.989,669 4.29,670 4.533,671 4.82,672 4.905,673 5.05,674 5.187,675 5.384,676 5.513,677 7.649,678 0.647,679 471,680 3.638,681 5.198,682 6.066,683 6.95,684 7.831,685 8.718,686 9.603,687 10.491,688 11.379,689 12.269,690 10.3,693 1,695 1,696 2,700 2,706 7,707 2,711 9,713 18,725 1,727 2,731 3,732 58,734 18,735 1,736 37,738 62,739 24,740 16,741 4,742 2,745 5,746 6,747 1,759 16,760 8,776 2,778 25,779 8,780 1,781 9,782 1,787 6,792 0.8,802 2,809 5,813 1,831 1,835 4,839 1,840 1,841 2,843 33,851 7,853 1,857 3,866 3,874 16.5,875 10.762,876 7.111,877 3.504,878 3.386,879 1.398,880 1.021,881 6.371,882 11.885,883 3.85,884 4.449,885 5.019,886 5.546,887 6.104,888 6.347,889 6.727,890 7.097,891 7.533,892 7.915,893 0.889,894 57,895 12.301,897 5.397,898 7.806,899 23.452,901 19.721,903 2.306,904 76.111,908 282.506,909 127.324,910 60.955,911 39.149,913 29.92,915 127.324,916 321.655,917 90.875,918 8.396,919 14.74,920 47.381,921 75.124,922 61.524,923 34.576,924 258.964,925 39.149,926 282.506,927 188.279,928 29.92,929 39.149,931 312.427,935 35.959,936 100.738,937 90.73,939 312.427,940 60.955,941 166.473,944 282.506,945 53.452,946 83.245,947 18.011,948 102.64,949 282.506,950 90.875,951 166.473,953 0.592,954 0.354,955 0.182,956 0.104,957 27,958 12,959 0.065,960 4,961 1,962 1.071,963 4.399,964 315.47,965 0.071,966 28,967 162.465,973 22.331,974 9.415,975 4.63,977 90.875,978 11.92,979 9.25,983 3.181,985 18.011,986 539.854,987 46,998 58.68,999 66.18,1000 0.283,1001 0.617,1002 0.764,1003 0.876,1004 0.904,1005 0.909,1006 5.115,1007 1.708,1008 6.061,1009 6.05,1010 4.673,1011 5.136,1012 1.557,1013 6.887,1014 4.542,1015 6.313,1016 1.629,1017 7.635,1018 4.684,1019 4.29,1020 4.945,1021 0.766,1022 7.808,1023 4.061,1024 7.621,1025 1.437,1026 9.306,1027 4.332,1028 6.29,1029 7.296,1030 1.075,1031 10.901,1032 6.046,1033 8.962,1034 1.211,1035 11.033,1036 3.758,1037 6.711,1038 7.91,1039 0.74,1040 12.627,1041 6.37,1042 10.335,1043 1,1044 12.796,1045 3.302,1046 8.182,1047 9.755,1048 0.812,1049 15.234,1050 7.825,1051 11.729,1052 1,1053 14.583,1054 2.319,1055 8.969,1056 10.745,1057 0.632,1058 17.291,1059 8.528,1060 13.141,1061 0.955,1062 16.387,1063 2.275,1064 10.228,1065 12.371,1066 0.636,1067 19.723,1068 9.759,1069 3.148,1070 0.444,1071 18.205,1072 2.275,1073 11.188,1074 13.552,1075 0.524,1076 21.925,1077 10.647,1078 3.019,1079 10.561,1080 20.032,1081 1.127,1082 12.359,1083 15.071,1084 0.505,1085 24.29,1086 11.779,1087 2.889,1088 10.024,1089 21.866,1090 4.137,1091 13.402,1092 16.353,1093 0.43,1094 26.558,1095 12.758,1096 2.668,1097 9.16,1098 23.707,1099 4.06,1100 14.537,1101 17.817,1102 0.405,1103 28.898,1104 13.848,1105 2.301,1106 8.73,1107 25.553,1108 3.685,1109 15.619,1110 19.154,1111 0.353,1112 31.197,1113 14.87,1114 2.217,1115 6.666,1116 27.403,1117 3.192,1118 16.743,1119 20.59,1120 0.328,1121 33.53,1122 15.945,1123 2.028,1124 6.109,1125 29.256,1126 2.859,1127 17.844,1128 21.957,1129 0.29,1130 35.846,1131 16.99,1132 15330,1133 25949,1134 24.967,1135 39.142,1136 56.142,1137 57.445,1138 57.709,1139 55.768,1140 55.728,1141 69.402,1142 6.178,1143 163.624,1144 51.851,1145 5.464,1146 5.541,1147 6.16,1148 5.166,1149 5.148,1150 7.137,1151 1.605,1152 17.649,1153 4.99,1154 15.698,1155 1.517,1156 1.553,1157 1.56,1158 1.507,1159 1.506,1160 1.876,1161 0.167,1162 4.422,1163 1.401,1164 4.049,1165 4.091,1166 4.067,1167 3.941,1168 8.206,1169 3.951,1170 3.926,1171 3.962,1172 3.961,1173 3.844,1174 8.196,1175 3.848,1176 3.853,1177 3.905,1178 3.793,1179 3.684,1180 4.964,1181 3.702,1182 3.708,1183 3.771,1184 3.608,1185 3.54,1186 4.808,1187 3.547,1188 3.442,1189 3.51,1190 3.356,1191 3.28,1192 4.778,1193 3.281,1194 3.192,1195 3.283,1196 3.316,1197 3.003,1198 4.353,1199 3.002,1200 3.171,1201 3.267,1202 3.073,1203 2.941,1204 4.218,1205 2.934,1206 3.111,1207 3.206,1208 2.994,1209 2.935,1210 4.158,1211 2.91,1212 0.121,1213 0.096,1214 0.179,1215 0.111,1216 0.085,1217 4.464,1218 0.112,1219 3.541,1220 0.025,1221 6.625,1222 0.285,1223 4.094,1224 0.081,1225 3.148,1226 4.137,1227 0.916,1228 10.561,1229 2.99,1230 1.97,1231 1.937,1232 2.056,1233 2.106,1234 1.294,1235 2.095,1236 1.885,1237 1.863,1238 1.994,1239 2.035,1240 1.253,1241 2.028,1242 1.795,1243 1.738,1244 1.925,1245 1.953,1246 1.083,1247 1.948,1248 1.671,1249 1.608,1250 1.837,1251 1.854,1252 1.015,1253 1.854,1254 1.421,1255 1.357,1256 1.628,1257 1.611,1258 0.825,1259 1.621,1260 1.163,1261 1.088,1262 1.526,1263 1.438,1264 0.755,1265 1.471,1266 1.159,1267 1.064,1268 1.513,1269 1.399,1270 0.636,1271 1.429,1272 1.153,1273 1.058,1274 1.431,1275 1.376,1276 0.61,1277 1.412,1278 4.317,1280 5.659,1282 7.206,1284 8.84,1286 10.517,1288 2.131,1289 6.071,1290 28.321,1294 5.392,1296 3.273,1300 6.572,1305 37.517,1306 96.118,1307 209.505,1308 259.624,1309 297.498,1310 307.008,1311 309.008,1312 64.181,1313 8.499,1314 47.53,1315 47.53,1316 30,1317 12.798,1318 4.248,1319 3.322,1320 47.937,1321 151,1322 173,1323 0.153,1324 229.168,1325 398.85,1326 550.93,1327 67306,1328 5.2,1329 22.949,1330 0.695,1331 0.579,1332 21.709,1333 19.117,1334 15.991,1335 0.432,1336 0.308,1337 10.839,1338 14.991,1339 10.591,1340 8.676,1341 15.459,1342 11.383,1343 14.673,1344 0.277,1345 0.167,1346 14.011,1347 8.835,1348 13.01,1349 0.181,1350 0.093,1351 12.329,1352 6.687,1353 10.4,1354 0.113,1355 0.049,1356 10.046,1357 4.48,1358 8.912,1359 0.072,1360 0.026,1361 8.652,1362 3.248,1363 0.243,1364 104.064,1365 0.2,1366 30.79,1367 0.413,1368 180,1369 598.984,1370 215.032,1371 560.423,1372 748.23,1373 524,1374 215,1375 522.543,1376 250.909,1377 528.916,1378 780.56,1379 497,1380 5.1}
{0 CHEMBL1173055,1 1.57,2 9.417,3 2.959,4 8.757,5 92.409,6 7.7,7 0.593,8 3.853,9 3.976,10 3.449,11 3.432,12 4.97,13 3.416,14 4.386,15 4.553,16 3.831,17 3.854,18 5.502,19 3.818,20 4.663,21 4.852,22 3.971,23 4.041,24 5.741,25 3.986,26 4.749,27 4.956,28 3.951,29 4.024,30 5.852,31 3.959,32 4.682,33 4.893,34 3.818,35 3.919,36 5.94,37 3.835,38 4.578,39 4.83,40 3.504,41 3.765,42 5.547,43 3.638,44 4.397,45 4.657,46 3.345,47 3.525,48 5.48,49 3.421,50 4.146,51 4.389,52 3.124,53 3.237,54 5.284,55 3.155,56 0.043,57 0.691,58 8.04,59 3.738,60 6.85,61 4.701,62 0.163,63 1.128,64 15.32,65 6.462,66 19.41,67 8.395,68 0.19,69 1.434,70 21.58,71 9.024,72 34.252,73 11.613,74 0.298,75 1.499,76 24.501,77 9.327,78 41.093,79 12.368,80 0.505,81 1.423,82 23.514,83 8.934,84 76.776,85 11.674,86 0.217,87 1.213,88 22.309,89 8.787,90 39.658,91 11.831,92 0.278,93 1.059,94 19.357,95 7.009,96 43.858,97 9.128,98 0.205,99 0.81,100 14.725,101 5.055,102 35.942,103 6.49,104 12,105 39,106 0.273,107 0.654,108 0.812,109 0.859,110 0.859,111 0.859,112 3.23,113 0.893,114 -4.09,115 -4.04,116 -3.82,119 45.2,121 1,124 1,125 2,142 6,143 5,144 1,152 2,158 1,172 10,175 1,178 1,180 7,183 12,188 2,193 9,196 11,200 2,205 5,208 10,213 1,216 1,217 1,218 4,221 10,225 1,230 2,233 8,238 2,242 1,243 3,246 4,250 2,255 3,258 1,263 1,268 2,275 744,276 16.455,277 16.455,278 16.455,279 16.455,280 16.455,281 14.528,282 15.923,283 9.661,284 16.688,285 13.319,286 13.319,287 13.319,288 13.319,289 13.319,290 10.192,291 15.194,292 4.521,293 13.648,294 3.822,295 1.626,296 0.721,297 0.447,298 0.447,299 0.447,300 3.93,303 1,304 1,305 1,306 496,307 2.55,310 36.502,311 105.594,312 52.651,314 68.607,315 76.945,316 84.144,317 95.711,318 1.5,319 26.305,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 226,332 4.771,333 3.64,334 7.052,335 4.341,336 3.354,337 4.734,338 1.058,339 12.17,340 3.312,341 4.187,342 3.26,343 6.313,344 3.815,345 2.821,346 3.79,347 0.657,348 9.485,349 2.802,350 3.873,351 2.897,352 5.671,353 3.496,354 2.501,355 3.348,357 7.431,358 2.486,359 3.712,360 2.763,361 5.377,362 3.312,363 2.341,364 3.111,366 6.919,367 2.269,368 3.484,369 2.406,370 5.237,371 3.107,372 2.132,373 2.815,375 6.423,376 2.067,377 3.117,378 2.087,379 4.843,380 2.733,381 1.772,382 2.316,384 5.195,385 1.686,386 2.927,387 1.801,388 4.548,389 2.539,390 1.572,391 2.037,393 4.338,394 1.514,395 2.52,396 1.52,397 4.071,398 2.215,399 1.259,400 1.524,402 3.254,403 1.2,404 2.5,405 1.37,406 3.414,407 2,408 1,409 1.5,411 2.275,412 1,413 2.151,414 1.025,415 3.225,416 1.937,417 0.998,418 1.122,420 1.819,421 0.934,422 1.977,423 1,424 3.174,425 1.551,426 0.551,427 0.739,429 1.387,430 0.544,431 1.225,432 0.441,433 2.943,434 0.967,440 1.123,441 0.151,442 2.702,443 0.813,444 -0.15,445 -0.178,447 -0.303,448 -0.143,449 0.948,450 0.028,451 2.446,452 0.514,453 -0.448,454 -0.574,456 -1.102,457 -0.412,458 0.664,459 -0.267,460 2.265,461 0.317,462 -0.629,463 -0.76,465 -1.484,466 -0.592,467 11.319,468 0.472,469 0.589,470 0.025,471 31,472 1.292,473 15.5,474 0.646,475 15.5,476 0.646,477 18.437,478 0.768,479 25.281,480 0.602,481 22.916,482 0.955,483 6.303,484 0.263,485 5.366,486 0.224,487 0.099,489 0.398,491 1,493 0.669,494 1.006,495 0.745,496 0.916,497 0.524,498 0.85,499 0.67,500 0.922,501 0.798,502 0.885,503 0.519,504 0.861,505 0.852,506 1.031,507 0.872,508 1.007,509 0.837,510 0.957,511 0.854,512 0.981,513 0.941,514 1.05,515 0.881,516 1.021,517 0.831,518 0.978,519 1.052,520 1.097,521 0.887,522 1.119,523 0.781,524 1.008,525 0.962,526 1.078,527 0.835,528 1.069,529 1.167,530 1.031,531 1.019,532 0.963,533 1.133,534 0.961,535 1.383,536 1.196,537 1.128,538 1.082,539 1.353,540 1.06,541 4.5,542 0.073,543 2.667,544 2.167,545 1.637,546 0.948,547 0.484,548 0.319,549 0.174,550 0.145,551 5913,552 15913,553 2.135,554 42.9,556 13,559 3,561 2,564 1.672,565 2,566 3.151,567 0.957,568 1,569 1,571 1,574 65.953,575 1.57,576 3.766,577 4.672,578 4.946,579 4.946,580 4.946,581 2.705,582 3.97,583 4.55,584 3.294,585 909.198,586 7.873,587 10109.1,588 1,589 1,591 1,592 226.477,593 1.406,594 4.518,595 0.167,596 0.008,597 0.068,598 0.049,599 0.04,600 0.028,601 0.019,602 0.015,603 0.011,604 0.012,605 0.418,606 0.67,607 1,608 0.948,609 111.584,610 -0.068,611 0.01,612 0.026,613 0.071,614 -0.042,615 0.073,616 0.003,617 0.056,618 0.044,619 0.091,620 0.047,621 0.083,622 -0.052,623 -0.057,624 0.022,625 -0.007,626 -0.044,627 0.018,629 -0.083,630 -0.011,631 -0.086,632 -0.026,633 -0.059,634 0.184,635 0.012,636 -0.092,637 -0.122,638 0.153,639 -0.158,640 -0.003,641 -0.121,642 0.016,643 -0.07,644 -0.04,645 -0.036,646 -0.057,647 0.035,648 0.022,649 0.031,650 -0.028,651 0.042,652 -0.141,653 -0.165,654 -0.084,655 -0.12,656 -0.059,657 -0.096,658 2.071,659 5.888,660 0.792,661 18.083,662 1.005,663 1.128,664 2.864,665 8.2,666 0.679,667 3.332,668 3.689,669 4.025,670 4.382,671 4.682,672 4.883,673 5.063,674 5.209,675 5.328,676 5.398,677 5.358,678 0.652,679 323.4,680 3.332,681 4.89,682 5.771,683 6.683,684 7.59,685 8.513,686 9.432,687 10.359,688 11.284,689 12.215,690 7.1,692 1,697 1,698 1,705 2,706 6,708 1,711 6,713 16,720 1,731 1,732 42,734 17,735 2,736 27,738 45,739 19,740 14,741 6,742 6,743 1,745 4,746 8,754 1,757 1,759 15,760 4,763 1,768 1,772 1,774 1,775 1,776 1,778 18,779 4,780 3,781 5,787 3,792 0.5,793 1,804 1,808 1,809 2,810 1,812 1,813 1,814 1,815 1,830 1,835 2,839 1,841 1,843 24,851 3,853 2,866 1,867 2.4,870 1,874 12,875 7.81,876 5.25,877 2.529,878 3.263,879 1.423,880 1.054,881 3.773,882 10.983,883 3.611,884 4.273,885 4.953,886 5.648,887 6.268,888 6.72,889 7.216,890 7.661,891 8.027,892 8.382,893 1,894 44,895 8.927,897 3.939,898 7.833,899 16.999,901 14.43,903 2.333,904 56,907 1,908 176.567,909 106.042,910 52.807,912 25.145,913 14.96,915 106.042,916 201.711,917 67.767,918 8.396,919 24.757,920 74.868,921 29.85,922 41.222,923 19.861,924 176.567,926 176.567,927 158.849,928 40.105,931 167.984,932 48.687,935 59.553,936 99.296,939 191.527,940 77.952,941 106.042,944 176.567,945 40.788,946 65.254,947 52.807,948 40.105,949 176.567,950 92.912,951 106.042,953 0.581,954 0.348,955 0.204,956 0.12,957 21,958 9,959 0.067,960 3,961 3,962 1.263,963 3.522,964 211.158,965 0.316,966 18,967 106.039,973 15.218,974 5.95,975 2.606,976 1.507,977 76.127,978 11.047,980 3.317,983 4.28,985 52.807,986 375.52,987 36,992 12.208,996 -0.215,998 42.214,999 47.366,1000 0.291,1001 0.698,1002 0.866,1003 0.917,1004 0.917,1005 0.917,1006 4.86,1007 1.259,1008 5.771,1009 4.338,1010 4.369,1011 4.959,1012 1.412,1013 6.642,1014 4.328,1015 6.091,1016 1,1017 7.361,1018 3.254,1019 4.007,1020 4.902,1022 7.647,1023 3.96,1024 7.426,1025 0.998,1026 9.052,1027 2.275,1028 6.009,1029 7.264,1030 1.356,1031 10.815,1032 5.944,1033 8.801,1034 0.551,1035 10.805,1036 1.819,1037 6.479,1038 8.056,1040 12.692,1041 6.413,1042 10.21,1044 12.598,1045 1.387,1046 7.958,1047 9.907,1048 1.379,1049 15.393,1050 7.876,1051 11.645,1052 -0.15,1053 14.421,1055 8.819,1056 11.1,1058 17.638,1059 8.734,1060 13.101,1061 -0.448,1062 16.265,1063 -0.303,1064 10.102,1065 12.756,1066 1.439,1067 20.192,1068 10.003,1069 3.354,1070 -0.629,1071 18.128,1072 -1.102,1073 11.148,1074 14.142,1076 22.587,1077 11.041,1078 2.821,1079 12.17,1080 20.005,1081 -1.484,1082 12.363,1083 15.724,1084 1.516,1085 25.095,1086 12.243,1087 2.501,1088 9.485,1089 21.894,1090 4.734,1091 13.492,1092 17.2,1094 27.55,1095 13.362,1096 2.341,1097 7.431,1098 23.793,1099 3.79,1100 14.689,1101 18.757,1102 1.602,1103 30.046,1104 14.546,1105 2.132,1106 6.919,1107 25.7,1108 3.348,1109 15.857,1110 20.274,1112 32.525,1113 15.702,1114 1.772,1115 6.423,1116 27.613,1117 3.111,1118 17.051,1119 21.825,1120 1.691,1121 35.019,1122 16.884,1123 1.572,1124 5.195,1125 29.533,1126 2.815,1127 18.238,1128 23.361,1130 37.508,1131 18.057,1132 5687,1133 9462,1134 18.205,1135 28.5,1136 41.106,1137 42.309,1138 42.402,1139 40.666,1140 40.601,1141 54.074,1142 3.431,1143 121.395,1144 39.63,1145 5.67,1146 5.64,1147 6.822,1148 5.389,1149 5.354,1150 7.734,1151 2.117,1152 19.689,1153 5.312,1154 10.799,1155 1.522,1156 1.567,1157 1.57,1158 1.506,1159 1.504,1160 2.003,1161 0.127,1162 4.496,1163 1.468,1164 4.184,1165 4.211,1166 4.156,1167 4.106,1168 8.201,1169 4.115,1170 3.89,1171 3.922,1172 3.829,1173 3.83,1174 7.429,1175 3.826,1176 3.544,1177 3.614,1178 3.456,1179 3.397,1180 4.927,1181 3.397,1182 3.518,1183 3.582,1184 3.435,1185 3.304,1186 4.667,1187 3.329,1188 3.376,1189 3.447,1190 3.226,1191 3.144,1192 4.276,1193 3.154,1194 3.051,1195 3.091,1196 2.948,1197 2.861,1198 4.124,1199 2.869,1200 2.913,1201 2.997,1202 2.736,1203 2.753,1204 4.045,1205 2.738,1206 2.854,1207 2.925,1208 2.687,1209 2.735,1210 3.674,1211 2.715,1212 0.177,1213 0.135,1214 0.261,1215 0.161,1216 0.124,1217 4.771,1218 0.175,1219 3.64,1220 0.039,1221 7.052,1222 0.451,1223 4.341,1224 0.123,1225 3.354,1226 4.734,1227 1.058,1228 12.17,1229 3.312,1230 1.951,1231 1.935,1232 2.052,1233 2.038,1234 1.254,1235 2.04,1236 1.933,1237 1.909,1238 1.991,1239 2.015,1240 1.169,1241 2.011,1242 1.63,1243 1.576,1244 1.834,1245 1.818,1246 1.062,1247 1.828,1248 1.451,1249 1.381,1250 1.714,1251 1.719,1252 0.812,1253 1.719,1254 1.322,1255 1.246,1256 1.507,1257 1.575,1258 0.603,1259 1.563,1260 1.014,1261 0.962,1262 1.305,1263 1.26,1264 0.443,1265 1.253,1266 0.946,1267 0.882,1268 1.181,1269 1.173,1270 0.24,1271 1.195,1272 0.886,1273 0.821,1274 1.15,1275 1.062,1276 0.218,1277 1.107,1278 4.007,1280 5.352,1281 2.398,1282 6.893,1283 4.949,1284 8.531,1285 7.222,1286 10.225,1288 1.916,1290 13.888,1294 2.082,1296 5.969,1305 27.377,1306 65.953,1307 158.174,1308 196.213,1309 207.722,1310 207.722,1311 207.722,1312 40.631,1313 7.72,1314 56.92,1315 56.92,1316 24,1317 12.718,1318 4.17,1319 3.322,1320 33.773,1321 76,1322 102,1323 0.226,1324 165.609,1325 281.86,1326 395.847,1327 22356,1328 2.4,1329 16.681,1330 0.695,1331 0.557,1332 15.811,1333 13.372,1334 11.669,1335 0.432,1336 0.298,1337 7.929,1338 11.267,1339 7.745,1340 6.4,1341 11.275,1342 8.033,1343 10.619,1344 0.272,1345 0.156,1346 9.973,1347 6.088,1348 9.159,1349 0.167,1350 0.082,1351 8.892,1352 4.495,1353 8.235,1354 0.104,1355 0.043,1356 7.917,1357 3.431,1358 7.073,1359 0.066,1360 0.023,1361 6.718,1362 2.465,1363 0.342,1364 72.924,1365 0.234,1366 22.888,1367 0.655,1368 132,1369 400.845,1370 142.874,1371 367.8,1372 501.76,1373 344,1374 160,1375 367.758,1376 170.232,1377 370.572,1378 548.8,1379 350,1380 5.1}
{0 CHEMBL117697,1 1.517,2 7.895,3 3.461,4 11.979,5 74.095,6 7.853,7 0.81,8 3.584,9 3.694,10 3.21,11 3.156,12 4.756,13 3.15,14 4.04,15 4.191,16 3.51,17 3.488,18 5.171,19 3.467,20 4.194,21 4.373,22 3.534,23 3.565,24 5.255,25 3.523,26 4.203,27 4.414,28 3.391,29 3.478,30 5.244,31 3.406,32 4.16,33 4.401,34 3.227,35 3.403,36 5.119,37 3.316,38 4.002,39 4.223,40 3.13,41 3.317,42 4.998,43 3.222,44 3.936,45 4.172,46 3.023,47 3.191,48 4.894,49 3.096,50 3.749,51 3.969,52 2.745,53 2.936,54 4.764,55 2.837,56 0.013,57 0.468,58 5.75,59 2.649,60 5.278,61 3.276,62 0.143,63 0.724,64 10.483,65 4.246,66 14.667,67 5.231,68 0.101,69 0.837,70 12.713,71 4.905,72 13.556,73 6.356,74 0.183,75 0.84,76 13.635,77 4.968,78 19.084,79 6.722,80 0.171,81 0.777,82 14.098,83 4.869,84 19.334,85 6.636,86 0.14,87 0.658,88 11.36,89 4.395,90 15.556,91 6.017,92 0.076,93 0.587,94 11.151,95 4.387,96 13.445,97 5.997,98 0.153,99 0.472,100 9.272,101 3.397,102 16,103 4.415,104 3,105 28,106 0.28,107 0.582,108 0.731,109 0.869,110 0.897,111 0.897,112 3.011,113 0.854,114 -4.63,115 -4.55,116 -4.28,119 46.9,124 1,142 8,143 1,144 2,146 1,147 1,148 1,172 6,174 1,175 5,178 1,180 3,183 7,188 4,193 2,196 3,200 6,203 2,205 3,208 2,213 2,218 1,221 3,224 1,225 4,233 6,238 2,246 5,249 1,250 3,258 3,263 1,271 1,275 406,276 13.301,277 13.301,278 13.301,279 13.301,280 13.301,281 11.29,282 13.8,283 8.033,284 13.665,285 10.342,286 10.342,287 10.342,288 10.342,289 10.342,290 7.367,291 23.856,292 3.745,293 10.834,294 3.483,295 1.853,296 1.047,297 0.297,298 0.149,299 0.149,300 3.697,303 1,304 1,305 1,306 325,307 2.121,311 139.655,315 72.993,318 1.08,319 10.068,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 40.5,331 150,332 4.501,333 3.116,334 6.515,335 4.015,336 3.047,337 4.433,338 0.86,339 10.242,340 2.952,341 4.064,342 2.886,343 5.619,344 3.635,345 2.672,346 3.671,347 0.4,348 7.769,349 2.572,350 3.542,351 2.447,352 5.226,353 3.127,354 2.191,355 2.926,357 6.431,358 2.046,359 3.257,360 1.983,361 4.857,362 2.814,363 1.863,364 2.528,366 5.404,367 1.766,368 3.118,369 1.618,370 4.139,371 2.573,372 1.618,373 2.427,375 3.764,376 1.544,377 2.769,378 1.328,379 3.594,380 2.246,381 1.274,382 1.902,384 2.834,385 1.235,386 2.681,387 1.264,388 3.499,389 2.197,390 1.218,391 1.763,393 2.642,394 1.189,395 2.343,396 0.941,397 3.329,398 1.851,399 0.888,400 1.273,402 2.08,403 0.853,404 1.584,405 0.924,406 2.858,407 1.295,408 0.43,409 0.482,411 0.627,412 0.368,413 1.377,414 0.164,415 2.67,416 0.981,417 0.043,418 0.056,420 0.113,421 0.041,422 0.9,423 -0.372,424 2.335,425 0.433,426 -0.523,427 -0.719,429 -1.238,430 -0.497,431 0.882,432 -0.492,433 2,434 0.346,435 -0.618,436 -0.927,438 -1.478,439 -0.593,440 0.598,441 -0.618,442 2,443 0.165,444 -0.781,445 -1,447 -1.776,448 -0.723,449 0.529,450 -0.894,451 1.711,452 0.05,453 -0.934,454 -1.337,456 -2.337,457 -0.918,458 0.223,459 -1.157,460 1.599,461 -0.247,462 -1.209,463 -1.737,465 -3.228,466 -1.163,467 9.033,468 0.475,469 0.307,470 0.016,471 29.5,472 1.553,473 17,474 0.895,475 12.5,476 0.658,477 9.966,478 0.525,479 19.167,480 0.599,481 18.202,482 0.958,483 6.058,484 0.319,485 3.307,486 0.174,487 0.055,489 0.277,493 0.912,494 1.241,495 0.729,496 1.011,497 0.864,498 0.87,499 1.222,500 0.967,501 0.889,502 0.884,503 1.028,504 0.858,505 1.135,506 1.25,507 0.977,508 1.054,509 1,510 1.002,511 0.909,512 1.146,513 1.065,514 1.088,515 0.936,516 1.091,517 1.138,518 0.883,519 1.04,520 0.837,521 1.159,522 0.898,523 0.721,524 0.903,525 1.015,526 0.995,527 0.85,528 1.03,529 0.812,530 0.937,531 0.866,532 1.012,533 0.831,534 0.958,535 1.355,536 0.903,537 1.206,538 1.088,539 1.281,540 1.129,541 3,542 0.012,543 1.556,544 1.063,545 0.778,546 0.333,547 0.183,548 0.161,549 0.086,550 0.041,551 3281,552 8765,553 2.145,554 40.6,556 11,558 1,559 1,564 1.604,565 2.073,566 3.009,567 -0.301,569 1,571 1,574 48.536,575 1.517,576 3.147,577 3.953,578 4.703,579 4.851,580 4.851,581 2.394,582 3.932,583 4.224,584 3.087,585 527.8,586 7.195,587 5151.62,588 1,589 1,591 1,592 160,593 1.105,594 4.207,595 0.143,596 0.012,597 0.056,598 0.038,599 0.034,600 0.017,601 0.01,602 0.01,603 0.008,604 0.008,605 0.335,606 0.67,607 1,608 0.671,609 81.803,610 -0.045,611 -0.169,612 0.056,613 -0.07,614 -0.076,615 -0.004,616 -0.045,617 0.081,618 -0.008,619 0.052,620 -0.027,621 0.022,622 -0.132,623 -0.222,624 -0.071,625 -0.119,626 -0.084,627 -0.094,628 0.055,629 -0.12,630 -0.114,631 -0.16,632 0.014,633 -0.164,634 -0.181,635 0.109,636 -0.041,637 0.116,638 -0.156,639 0.073,640 0.063,641 0.071,642 -0.067,643 -0.021,644 0.018,645 -0.05,646 0.039,647 -0.035,648 0.13,649 -0.004,650 0.12,651 0.068,652 -0.011,653 0.014,654 -0.184,655 -0.111,656 -0.072,657 -0.16,658 0.876,659 1.707,660 0.842,661 11.296,662 1.002,663 1.118,664 3.397,665 11.538,666 0.696,667 3.091,668 3.367,669 3.638,670 3.892,671 4.111,672 4.06,673 4.143,674 4.22,675 4.277,676 4.143,677 4.772,678 0.669,679 251.31,680 3.091,681 4.595,682 5.434,683 6.293,684 7.148,685 8.014,686 8.873,687 9.742,688 10.603,689 11.474,690 9.4,698 1,700 2,705 2,706 9,707 2,711 3,713 17,725 1,730 1,732 32,734 17,735 2,736 21,738 34,739 15,740 14,741 4,742 8,745 3,746 4,759 14,760 1,775 1,778 13,779 4,780 1,781 4,787 3,792 0.667,793 1,803 1,809 3,813 1,835 2,839 1,843 19,853 1,854 1,867 3.1,872 1,874 9.167,875 6.067,876 4.306,877 1.747,878 3.416,879 1.516,880 1.01,881 3.192,882 10.037,883 3.418,884 4.043,885 4.67,886 5.282,887 5.857,888 6.04,889 6.426,890 6.838,891 7.244,892 7.281,893 1,894 28,895 6.941,897 2.849,898 7.623,899 13.266,901 10.469,903 2.123,904 40.333,905 0.001,908 141.253,909 110.357,910 51.582,912 11,915 110.357,916 152.253,917 51.582,918 10.883,920 75.81,921 45.342,922 50.347,923 2.328,924 129.482,926 141.253,927 161.939,928 11,931 141.253,932 11,935 28.773,936 99.594,937 33.571,939 141.253,940 62.582,941 110.357,944 141.253,945 15.045,946 95.312,947 18.011,948 44.571,949 141.253,950 62.582,951 110.357,953 0.563,954 0.336,955 0.189,956 0.103,957 14,958 5,959 0.088,960 3,961 1,962 1.125,963 3.209,964 139.202,965 0.125,966 16,967 80.711,973 11.785,974 5.145,975 2.453,976 1.913,977 62.582,978 17.202,979 8.536,983 2.533,985 18.011,986 314.192,987 29.5,998 32.051,999 35.78,1000 0.303,1001 0.629,1002 0.791,1003 0.941,1004 0.97,1005 0.97,1006 4.598,1007 0.888,1008 5.38,1009 2.642,1010 4.043,1011 4.727,1012 1.029,1013 6.146,1014 3.959,1015 5.797,1016 0.43,1017 6.901,1018 2.08,1019 3.434,1020 4.407,1022 6.952,1023 3.313,1024 7.091,1025 0.043,1026 8.524,1027 0.627,1028 5.58,1029 6.985,1030 0.763,1031 10.054,1032 5.423,1033 8.426,1034 -0.523,1035 10.21,1036 0.113,1037 5.832,1038 7.545,1040 11.734,1041 5.636,1042 9.794,1043 -0.618,1044 11.939,1045 -1.238,1046 7.396,1047 9.537,1048 0.597,1049 14.329,1050 7.176,1051 11.186,1052 -0.781,1053 13.697,1054 -1.478,1055 8.077,1056 10.549,1058 16.376,1059 7.82,1060 12.599,1061 -0.934,1062 15.477,1063 -1.776,1064 9.379,1065 12.268,1066 0.47,1067 18.796,1068 9.1,1069 3.047,1070 -1.209,1071 17.273,1072 -2.337,1073 10.276,1074 13.516,1076 21.001,1077 9.961,1078 2.672,1079 10.242,1080 19.083,1081 -3.228,1082 11.46,1083 15.105,1084 0.367,1085 23.359,1086 11.121,1087 2.191,1088 7.769,1089 20.904,1090 4.433,1091 12.463,1092 16.472,1094 25.631,1095 12.089,1096 1.863,1097 6.431,1098 22.733,1099 3.671,1100 13.596,1101 18.002,1102 0.283,1103 27.967,1104 13.197,1105 1.618,1106 5.404,1107 24.569,1108 2.926,1109 14.651,1110 19.428,1112 30.269,1113 14.218,1114 1.274,1115 3.764,1116 26.411,1117 2.528,1118 15.764,1119 20.932,1120 0.217,1121 32.598,1122 15.305,1123 1.218,1124 2.834,1125 28.259,1126 2.427,1127 16.844,1128 22.388,1130 34.912,1131 16.352,1132 3185,1133 5300,1134 14.504,1135 22.279,1136 30.429,1137 30.941,1138 31.277,1139 30.42,1140 30.487,1141 42.922,1142 2.52,1143 83.813,1144 29.128,1145 5.264,1146 5.116,1147 6.204,1148 5.09,1149 5.047,1150 7.433,1151 1.72,1152 17.08,1153 4.952,1154 5.45,1155 1.449,1156 1.473,1157 1.489,1158 1.449,1159 1.452,1160 2.044,1161 0.12,1162 3.991,1163 1.387,1164 4.064,1165 4.099,1166 4.029,1167 3.972,1168 5.083,1169 3.981,1170 3.882,1171 3.907,1172 3.825,1173 3.805,1174 4.862,1175 3.806,1176 3.413,1177 3.474,1178 3.334,1179 3.237,1180 4.487,1181 3.255,1182 3.254,1183 3.319,1184 3.098,1185 2.979,1186 4.398,1187 2.995,1188 3.071,1189 3.146,1190 2.958,1191 2.893,1192 4.085,1193 2.898,1194 2.852,1195 2.918,1196 2.719,1197 2.731,1198 3.723,1199 2.72,1200 2.752,1201 2.827,1202 2.551,1203 2.608,1204 3.502,1205 2.584,1206 2.608,1207 2.673,1208 2.495,1209 2.474,1210 3.485,1211 2.471,1212 0.214,1213 0.148,1214 0.31,1215 0.191,1216 0.145,1217 4.501,1218 0.211,1219 3.116,1220 0.041,1221 6.515,1222 0.488,1223 4.015,1224 0.141,1225 3.047,1226 4.433,1227 0.86,1228 10.242,1229 2.952,1230 2.012,1231 1.984,1232 2.086,1233 2.124,1234 1.177,1235 2.113,1236 1.864,1237 1.841,1238 1.974,1239 1.967,1240 1.051,1241 1.97,1242 1.356,1243 1.298,1244 1.574,1245 1.571,1246 0.576,1247 1.566,1248 1.197,1249 1.124,1250 1.496,1251 1.501,1252 0.474,1253 1.516,1254 1.029,1255 0.966,1256 1.235,1257 1.254,1258 0.25,1259 1.252,1260 0.865,1261 0.805,1262 1.131,1263 1.039,1264 0.192,1265 1.074,1266 0.775,1267 0.706,1268 1.051,1269 0.968,1270 0.126,1271 1.003,1272 0.61,1273 0.547,1274 0.884,1275 0.791,1277 0.826,1278 3.761,1280 5.043,1282 6.547,1284 8.149,1286 9.798,1288 1.652,1296 3.291,1297 5.207,1305 21.413,1306 48.536,1307 100.716,1308 126.49,1309 150.49,1310 155.245,1311 155.245,1312 18.03,1313 6.621,1314 47.04,1315 47.04,1316 18,1317 12.019,1318 4.17,1319 3.248,1320 27.765,1321 54,1322 54,1323 0.256,1324 133.435,1325 218.95,1326 317.342,1327 6038,1329 13.079,1330 0.688,1331 0.553,1332 13.079,1333 10.499,1334 9.365,1335 0.446,1336 0.285,1337 5.884,1338 9.011,1339 5.728,1340 4.802,1341 9.365,1342 5.975,1343 7.942,1344 0.284,1345 0.146,1346 7.942,1347 4.096,1348 6.828,1349 0.185,1350 0.078,1351 6.828,1352 2.875,1353 5.78,1354 0.12,1355 0.04,1356 5.78,1357 1.942,1358 4.772,1359 0.08,1360 0.022,1361 4.772,1362 1.295,1363 0.391,1364 58.619,1365 0.263,1366 18.846,1367 0.731,1368 98,1369 285.359,1370 106.485,1371 279.147,1372 390.09,1373 264,1374 114,1375 292.729,1376 122.486,1377 300.034,1378 433.49,1379 281,1380 5.1}
{0 CHEMBL1190711,1 1.687,2 10.241,3 2.323,4 5.394,5 105.109,6 8.307,7 0.688,8 3.988,9 4.1,10 3.643,11 3.472,12 5.231,13 3.503,14 4.459,15 4.61,16 3.994,17 3.823,18 5.702,19 3.846,20 4.592,21 4.744,22 4.073,23 3.934,24 5.817,25 3.949,26 4.684,27 4.849,28 4.077,29 3.963,30 5.957,31 3.955,32 4.775,33 4.985,34 3.974,35 3.964,36 5.888,37 3.931,38 4.706,39 4.92,40 4.008,41 3.951,42 5.86,43 3.921,44 4.684,45 4.891,46 3.979,47 3.949,48 5.825,49 3.918,50 4.631,51 4.824,52 3.865,53 3.841,54 5.866,55 3.797,56 0.122,57 0.744,58 7.845,59 3.593,60 10.476,61 4.199,62 0.453,63 1.116,64 15.508,65 5.923,66 35.584,67 6.97,68 0.448,69 1.274,70 17.207,71 6.349,72 33.95,73 7.671,74 0.535,75 1.381,76 19.087,77 7.243,78 44.53,79 8.893,80 0.615,81 1.4,82 24.827,83 7.975,84 53.446,85 10.397,86 0.576,87 1.367,88 22.499,89 7.57,90 46.631,91 10.307,92 0.516,93 1.309,94 21.797,95 7.57,96 36.402,97 10.149,98 0.515,99 1.193,100 20.111,101 7.468,102 44.844,103 9.746,104 26,105 45,106 0.283,107 0.65,108 0.779,109 0.849,110 0.863,111 0.87,112 3.409,113 0.814,114 -3.29,115 -3.28,116 -3.14,119 42.6,124 2,142 6,143 2,144 2,145 2,146 1,147 1,151 1,158 1,161 1,162 1,163 1,164 1,165 1,172 5,174 2,175 9,177 1,178 4,180 2,183 4,185 1,187 1,188 8,193 2,196 3,198 1,199 4,200 8,202 1,203 3,204 1,205 4,207 1,208 1,210 1,212 1,213 7,218 2,224 4,225 8,227 2,228 2,230 1,233 2,237 2,238 3,241 1,246 4,249 3,250 4,252 1,253 2,255 2,258 5,260 2,262 1,263 3,268 2,271 3,273 2,275 1326,276 19.894,277 19.894,278 19.894,279 19.894,280 19.894,281 17.208,282 19.544,283 11.582,284 20.561,285 15.674,286 15.674,287 15.674,288 15.674,289 15.674,290 11.487,291 28.736,292 5.284,293 16.592,294 3.867,295 1.682,296 0.915,297 0.5,298 0.415,299 0.373,300 4.105,304 1,305 1,306 637,307 3.24,310 64.597,311 244.753,314 114.293,318 1.577,319 29.436,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 64,331 297,332 4.586,333 3.539,334 6.596,335 4.095,336 3.157,337 4.52,338 0.98,339 10.565,340 2.979,341 4.32,342 3.232,343 6.393,344 3.937,345 2.959,346 3.963,347 0.86,348 9.731,349 2.899,350 4.278,351 3.136,352 6.24,353 3.833,354 2.884,355 3.924,356 0.86,357 9.36,358 2.714,359 3.854,360 2.692,361 5.942,362 3.461,363 2.512,364 3.302,365 0.4,366 8.327,367 2.37,368 3.517,369 2.583,370 5.275,371 3.091,372 2.148,373 2.867,375 6.464,376 2.017,377 3.303,378 2.181,379 4.822,380 2.805,381 1.845,382 2.559,384 5.02,385 1.759,386 2.991,387 2.098,388 4.513,389 2.525,390 1.615,391 2.22,393 4.455,394 1.465,395 2.919,396 1.568,397 4.328,398 2.477,399 1.511,400 2.057,402 4.029,403 1.453,404 2.876,405 1.477,406 3.796,407 2.398,408 1.427,409 2.036,411 3.177,412 1.383,413 2.549,414 1.309,415 3.626,416 2.014,417 1.063,418 1.573,420 2.469,421 1.008,422 2.532,423 1.121,424 3.466,425 1.985,426 1,427 1.476,429 2.305,430 0.976,431 2.169,432 0.972,433 3.425,434 1.663,435 0.755,436 1.036,438 1.978,439 0.683,440 1.868,441 0.931,442 3.038,443 1.531,444 0.631,445 0.764,447 1.174,448 0.563,449 1.454,450 0.773,451 2.897,452 1.185,453 0.336,454 0.366,456 0.448,457 0.283,458 1.361,459 0.267,460 2.688,461 0.96,462 0.021,463 0.027,465 0.055,466 0.019,467 13.4,468 0.462,469 0.657,470 0.023,471 43.25,472 1.491,473 23,474 0.793,475 20.25,476 0.698,477 19.601,478 0.676,479 30.4,480 0.647,481 34.392,482 1.186,483 8.951,484 0.309,485 5.15,486 0.178,487 0.129,489 0.366,493 0.919,494 1.409,495 0.702,496 1.094,497 0.775,498 0.882,499 1.063,500 0.886,501 0.766,502 0.782,503 0.665,504 0.732,505 1.093,506 1.281,507 0.913,508 1.012,509 0.996,510 0.928,511 0.93,512 1.143,513 1.044,514 1.174,515 0.881,516 1.147,517 1.164,518 1.095,519 1.053,520 0.94,521 1.027,522 0.964,523 0.716,524 0.934,525 0.857,526 0.874,527 0.672,528 0.882,529 0.786,530 0.942,531 0.876,532 0.901,533 0.767,534 0.893,535 0.817,536 1.103,537 1.028,538 1.211,539 1.012,540 1.18,541 5.5,542 0.164,543 3.556,544 1.813,545 1.8,546 1.021,547 0.659,548 0.562,549 0.404,550 0.218,551 9979,552 30958,553 2.09,554 38.3,556 12,557 1,558 2,559 3,564 1.725,565 1.955,566 3.341,567 0.96,568 1,569 1,574 79.304,575 1.687,576 3.872,577 4.639,578 5.054,579 5.139,580 5.182,581 2.76,582 4.444,583 4.83,584 3.496,585 1419.3,586 8.442,587 18817.4,589 1,591 1,592 261.066,593 1.416,594 4.788,595 0.172,596 0.009,597 0.079,598 0.038,599 0.039,600 0.024,601 0.015,602 0.013,603 0.011,604 0.009,605 0.409,606 0.33,607 1,608 0.9,609 145.456,610 -0.121,611 -0.247,612 0.042,613 -0.104,614 -0.141,615 -0.008,616 -0.012,617 0.201,618 0.105,619 0.185,620 0.074,621 0.161,622 -0.114,623 -0.189,624 -0.056,625 -0.053,626 -0.088,627 -0.037,628 0.032,629 -0.054,630 -0.167,631 -0.231,632 0.027,633 -0.254,634 -0.18,635 -0.109,636 -0.069,637 0.023,638 -0.129,639 0.005,640 0.098,641 0.098,642 0.096,643 0.086,644 0.094,645 0.089,646 0.035,647 0.072,648 0.069,649 0.08,650 0.011,651 0.09,652 0.117,653 -0.119,654 -0.077,655 -0.22,656 0.06,657 -0.201,658 2.251,659 4.722,660 0.724,661 25.42,662 1.019,663 1.13,664 2.059,665 4.238,666 0.68,667 3.497,668 3.829,669 4.143,670 4.419,671 4.635,672 4.771,673 4.949,674 5.1,675 5.215,676 5.328,677 6.248,678 0.669,679 390.44,680 3.497,681 5.043,682 5.911,683 6.799,684 7.683,685 8.577,686 9.466,687 10.363,688 11.256,689 12.155,690 12.8,697 1,698 2,700 3,705 1,706 9,707 3,711 7,713 22,719 1,725 1,730 2,732 47,734 23,735 1,736 32,738 50,739 20,740 17,741 3,742 3,743 1,745 4,746 5,759 18,760 2,763 1,768 1,772 1,775 1,778 18,779 8,780 3,781 9,784 1,787 6,792 0.75,793 3,802 1,803 1,808 1,809 3,812 1,835 3,839 2,843 29,844 1,853 1,854 2,867 6.4,870 1,872 2,874 14.833,875 9.133,876 6.5,877 2.444,878 4.256,879 1.547,880 1.004,881 5.229,882 12.03,883 3.807,884 4.457,885 5.11,886 5.732,887 6.281,888 6.668,889 7.165,890 7.64,891 8.028,892 8.468,893 0.857,894 48,895 10.62,897 4.483,898 7.862,899 19.768,901 15.679,903 2.362,904 68.5,907 1,908 176.567,909 136.028,910 102.551,912 47.145,915 136.028,916 223.711,917 102.551,918 21.766,919 32.897,920 65.905,921 105.464,922 80.906,923 14.099,924 141.253,926 176.567,927 238.579,928 47.145,931 176.567,932 47.145,935 76.66,936 111.562,937 50.357,939 176.567,940 149.696,941 136.028,944 176.567,945 30.262,946 107.052,947 18.011,948 130.398,949 176.567,950 149.696,951 136.028,953 0.578,954 0.355,955 0.197,956 0.101,957 22,958 10,959 0.12,960 6,961 1,962 1.095,963 3.941,964 264.231,965 0.095,966 21,967 140.881,973 19.024,974 7.971,975 3.69,976 0.67,977 148.409,978 15.597,979 13.266,983 3.689,985 50.908,986 462.29,987 44,992 11.722,996 -0.585,998 47.894,999 53.109,1000 0.304,1001 0.697,1002 0.835,1003 0.91,1004 0.925,1005 0.933,1006 5.034,1007 1.511,1008 5.9,1009 4.455,1010 4.511,1011 5.145,1012 1.824,1013 6.737,1014 4.406,1015 6.262,1016 1.427,1017 7.476,1018 4.029,1019 4.111,1020 4.997,1022 7.689,1023 3.969,1024 7.585,1025 1.063,1026 9.152,1027 3.177,1028 6.129,1029 7.423,1030 1.626,1031 10.788,1032 5.931,1033 8.948,1034 1,1035 10.886,1036 2.469,1037 6.567,1038 8.121,1040 12.543,1041 6.322,1042 10.342,1043 0.755,1044 12.657,1045 2.305,1046 8.036,1047 9.998,1048 1.481,1049 15.143,1050 7.748,1051 11.758,1052 0.631,1053 14.451,1054 1.978,1055 8.846,1056 11.09,1058 17.216,1059 8.507,1060 13.192,1061 0.336,1062 16.262,1063 1.174,1064 10.1,1065 12.741,1066 1.36,1067 19.639,1068 9.721,1069 3.157,1070 0.021,1071 18.084,1072 0.448,1073 11.078,1074 14.027,1076 21.848,1077 10.647,1078 2.959,1079 10.565,1080 19.914,1081 0.055,1082 12.246,1083 15.578,1084 1.257,1085 24.206,1086 11.773,1087 2.884,1088 9.731,1089 21.751,1090 4.52,1091 13.3,1092 16.962,1094 26.476,1095 12.776,1096 2.512,1097 9.36,1098 23.593,1099 3.963,1100 14.436,1101 18.471,1102 1.169,1103 28.811,1104 13.867,1105 2.148,1106 8.327,1107 25.438,1108 3.924,1109 15.525,1110 19.905,1112 31.11,1113 14.905,1114 1.845,1115 6.464,1116 27.287,1117 3.302,1118 16.649,1119 21.4,1120 1.094,1121 33.439,1122 15.982,1123 1.615,1124 5.02,1125 29.138,1126 2.867,1127 17.756,1128 22.861,1130 35.754,1131 17.038,1132 9636,1133 17110,1134 21.383,1135 31.966,1136 47.932,1137 49.16,1138 49.964,1139 47.608,1140 47.728,1141 65.378,1142 6.2,1143 139.109,1144 45.144,1145 5.378,1146 5.539,1147 6.277,1148 5.175,1149 5.157,1150 7.52,1151 1.96,1152 17.58,1153 4.979,1154 14.32,1155 1.498,1156 1.536,1157 1.561,1158 1.488,1159 1.492,1160 2.043,1161 0.194,1162 4.347,1163 1.411,1164 4.129,1165 4.18,1166 4.105,1167 3.972,1168 7.437,1169 3.997,1170 3.894,1171 3.924,1172 3.854,1173 3.787,1174 5.126,1175 3.8,1176 3.873,1177 3.899,1178 3.831,1179 3.743,1180 4.924,1181 3.761,1182 3.357,1183 3.405,1184 3.286,1185 3.172,1186 4.915,1187 3.191,1188 3.321,1189 3.378,1190 3.244,1191 3.049,1192 4.804,1193 3.085,1194 3.247,1195 3.314,1196 3.07,1197 2.954,1198 4.506,1199 2.963,1200 3.182,1201 3.261,1202 3.051,1203 2.921,1204 4.49,1205 2.945,1206 3.054,1207 3.127,1208 2.901,1209 2.851,1210 4.231,1211 2.861,1212 0.143,1213 0.111,1214 0.206,1215 0.128,1216 0.099,1217 4.586,1218 0.141,1219 3.539,1220 0.031,1221 6.596,1222 0.33,1223 4.095,1224 0.093,1225 3.157,1226 4.52,1227 0.98,1228 10.565,1229 2.979,1230 1.957,1231 1.932,1232 2.021,1233 2.108,1234 1.139,1235 2.079,1236 1.848,1237 1.818,1238 1.936,1239 1.983,1240 0.986,1241 1.97,1242 1.718,1243 1.68,1244 1.796,1245 1.894,1246 0.888,1247 1.87,1248 1.396,1249 1.341,1250 1.576,1251 1.59,1252 0.584,1253 1.585,1254 1.197,1255 1.141,1256 1.574,1257 1.525,1258 0.574,1259 1.539,1260 1.191,1261 1.128,1262 1.531,1263 1.523,1264 0.525,1265 1.504,1266 1.188,1267 1.114,1268 1.386,1269 1.484,1270 0.274,1271 1.487,1272 0.946,1273 0.869,1274 1.158,1275 1.223,1276 0.176,1277 1.214,1278 4.174,1280 5.501,1281 2.398,1282 7.033,1283 4.595,1284 8.658,1285 6.605,1286 10.332,1288 3.157,1292 5.457,1296 3.088,1297 10.685,1305 31.434,1306 79.304,1307 182.007,1308 218.046,1309 237.556,1310 241.556,1311 243.556,1312 43.555,1313 7.774,1314 116.66,1315 116.66,1316 23,1317 12.679,1318 4.585,1319 3.7,1320 44.446,1321 108,1322 113,1323 0.202,1324 193.597,1325 324.85,1326 464.136,1327 25127,1329 20.38,1330 0.703,1331 0.544,1332 20.38,1333 15.787,1334 14.101,1335 0.441,1336 0.271,1337 8.493,1338 13.338,1339 8.285,1340 6.911,1341 14.101,1342 8.688,1343 12.444,1344 0.277,1345 0.135,1346 12.444,1347 6.079,1348 10.86,1349 0.175,1350 0.071,1351 10.86,1352 4.372,1353 9.308,1354 0.114,1355 0.036,1356 9.308,1357 2.965,1358 7.278,1359 0.071,1360 0.019,1361 7.278,1362 1.898,1363 0.311,1364 89.964,1365 0.216,1366 27.084,1367 0.573,1368 154,1369 513.432,1370 173.572,1371 489.9,1372 674.9,1373 460,1374 184,1375 504.446,1376 204.102,1377 509.988,1378 745.97,1379 477,1380 5.1}
{0 CHEMBL119385,1 2.02,2 10.857,3 5.899,4 34.795,5 108.721,6 11.791,7 0.387,8 3.774,9 3.838,10 3.754,11 3.491,12 5.111,13 3.475,14 4.233,15 4.313,16 4.208,17 3.877,18 5.662,19 3.854,20 4.482,21 4.592,22 4.384,23 4.012,24 5.898,25 3.974,26 4.438,27 4.536,28 4.398,29 3.951,30 6.022,31 3.907,32 4.407,33 4.505,34 4.383,35 3.838,36 6.04,37 3.841,38 4.352,39 4.493,40 4.1,41 3.765,42 5.776,43 3.725,44 4.206,45 4.376,46 3.773,47 3.576,48 5.546,49 3.494,50 3.952,51 4.131,52 3.814,53 3.378,54 5.329,55 3.275,56 0.206,57 0.631,58 0.365,59 2.485,60 21.925,61 2.257,62 0.385,63 1.026,64 1.321,65 4.245,66 37.279,67 3.606,68 0.661,69 1.354,70 13.947,71 7.433,72 83.324,73 5.947,74 0.817,75 1.307,76 16.405,77 7.013,78 110.113,79 5.367,80 0.753,81 1.119,82 12.655,83 6.115,84 80.618,85 4.523,86 0.674,87 1.044,88 9.362,89 5.601,90 70.44,91 4.465,92 0.581,93 0.955,94 14.148,95 5.842,96 62.946,97 5.374,98 0.47,99 0.837,100 15.059,101 5.159,102 56.905,103 4.94,104 26,105 45,106 0.356,107 0.661,108 0.797,109 0.88,110 0.88,111 0.88,112 3.375,113 0.917,114 -6.72,115 -6.54,116 -6.06,119 51.4,135 2,136 1,138 1,142 6,143 1,144 5,158 3,166 1,172 5,174 2,175 6,183 11,187 1,188 7,196 13,199 1,200 4,208 6,212 1,213 18,221 8,225 9,233 8,238 3,246 2,250 2,258 7,263 1,271 3,275 1112,276 18.654,277 18.654,278 18.654,279 18.654,280 18.654,281 16.187,282 19.118,283 10.719,284 19.305,285 15.266,286 15.266,287 15.266,288 15.266,289 15.266,290 11.457,291 21.577,292 5.067,293 16.502,294 3.189,295 1.461,296 0.689,297 0.216,298 0.216,299 0.216,300 4.069,301 2,305 1,306 659,307 2.55,311 301.744,315 114.555,318 1.745,319 45.737,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 62.167,331 304,332 4.659,333 4.62,334 7.045,335 4.27,336 3.3,337 4.28,338 3.37,339 12.073,340 3.195,341 4.265,342 3.709,343 6.252,344 3.817,345 2.906,346 3.894,347 1.208,348 9.257,349 2.633,350 4.146,351 3.398,352 6.088,353 3.716,354 2.786,355 3.648,356 0.618,357 8.827,358 2.561,359 3.818,360 3.258,361 5.582,362 3.343,363 2.406,364 3.147,366 7.21,367 2.237,368 3.456,369 2.94,370 5.197,371 3.061,372 2.136,373 2.745,375 6.279,376 1.929,377 3.318,378 2.8,379 4.913,380 2.859,381 1.934,382 2.481,384 5.588,385 1.763,386 3.232,387 2.623,388 4.841,389 2.707,390 1.879,391 2.474,393 5.104,394 1.664,395 3.15,396 2.376,397 4.646,398 2.703,399 1.743,400 2.222,402 4.741,403 1.441,404 2.839,405 2.108,406 4.127,407 2.363,408 1.415,409 1.945,411 3.648,412 1.347,413 2.817,414 1.524,415 4.057,416 2.34,417 1.351,418 1.916,420 3.312,421 1.309,422 2.536,423 1.309,424 3.542,425 1.813,426 0.871,427 1.291,429 2.117,430 0.8,431 1.915,432 1.178,433 3.085,434 1.29,435 0.398,436 0.508,438 0.971,439 0.338,440 1.597,441 1.113,442 2.973,443 1.186,444 0.288,445 0.363,447 0.691,448 0.232,449 1.272,450 0.832,451 2.564,452 0.751,453 -0.151,454 -0.204,456 -0.374,457 -0.125,458 1,459 0.445,460 2.407,461 0.473,462 -0.347,463 -0.445,465 -0.757,466 -0.229,467 13.867,468 0.495,469 0.822,470 0.029,471 38,472 1.357,473 20,474 0.714,475 18,476 0.643,477 22.586,478 0.807,479 28.133,480 0.76,481 29.769,482 1.063,483 7.754,484 0.277,485 5.681,486 0.203,487 0.168,489 0.389,491 2,493 0.545,494 0.806,495 0.518,496 0.692,497 0.533,498 0.676,499 0.664,500 0.945,501 0.658,502 0.829,503 0.596,504 0.805,505 1.041,506 1.056,507 1.087,508 1.075,509 0.981,510 0.926,511 0.972,512 0.954,513 1.174,514 1.072,515 0.92,516 1.004,517 0.753,518 0.916,519 1.028,520 1.166,521 0.786,522 1.015,523 0.972,524 0.769,525 1.043,526 0.838,527 0.908,528 1.041,529 0.932,530 0.837,531 1.172,532 1.059,533 0.85,534 1.233,535 0.817,536 0.849,537 0.508,538 0.761,539 0.963,540 0.901,541 6,542 0.182,543 3.556,544 2.563,545 2.524,546 0.826,547 0.764,548 0.443,549 0.222,550 0.269,551 9437,552 40448,553 2.072,554 24.3,556 8,558 1,564 1.711,565 1.909,566 3.35,567 -0.671,574 74.755,575 2.02,576 3.749,577 4.52,578 4.993,579 4.993,580 4.993,581 2.901,582 4.138,583 4.778,584 3.537,585 1337.15,586 8.312,587 17189.3,592 192.75,593 1.497,594 4.723,595 0.194,596 0.008,597 0.079,598 0.052,599 0.055,600 0.018,601 0.021,602 0.017,603 0.01,604 0.013,605 0.468,606 0.33,607 0.88,608 0.616,609 139.301,610 -0.003,611 -0.001,612 0.004,613 0.02,614 -0.043,615 0.007,616 -0.014,617 -0.083,618 0.004,619 -0.022,620 0.011,621 -0.056,622 -0.159,623 -0.085,624 -0.098,625 -0.05,626 -0.119,627 0.012,628 -0.02,629 -0.013,630 -0.099,631 -0.058,632 0.022,633 -0.098,634 0.132,635 -0.1,636 -0.011,637 -0.258,638 0.068,639 -0.157,640 -0.141,641 0.038,642 -0.11,643 0.038,644 -0.133,645 -0.074,646 -0.089,647 0.025,648 -0.137,649 -0.04,650 -0.065,651 -0.072,652 0.13,653 0.191,654 0.483,655 0.398,657 0.336,658 2.353,659 5.899,660 0.786,661 25.98,662 1.049,663 1.115,664 5.495,665 30.19,666 0.798,667 3.466,668 3.829,669 4.127,670 4.431,671 4.7,672 4.727,673 4.844,674 5.037,675 5.17,676 5.215,677 6.335,678 0.784,679 436.28,680 3.466,681 5.03,682 5.9,683 6.801,684 7.689,685 8.594,686 9.489,687 10.395,688 11.295,689 12.202,690 8.1,693 1,699 2,706 6,711 6,713 12,731 4,732 37,734 17,735 2,736 31,738 40,739 19,740 12,741 6,742 6,743 7,745 4,746 5,747 2,759 19,763 5,768 1,770 3,771 2,772 4,776 2,778 9,779 6,781 9,782 3,787 3,788 1,792 0.75,793 1,809 4,813 1,827 3,828 1,835 3,836 1,837 1,840 2,841 2,843 28,855 1,857 1,866 4,867 2.7,870 1,874 14.667,875 7.005,876 6.028,877 2.077,878 3.464,879 1.445,880 1.025,881 5.174,882 11.246,883 3.761,884 4.382,885 4.977,886 5.55,887 6.112,888 6.353,889 6.709,890 7.156,891 7.537,892 7.841,893 1,894 49,895 10.378,897 4.657,898 8.204,899 18.782,901 15.489,903 2.704,904 75.722,908 105.94,909 158.397,910 36.45,911 78.297,912 25.145,913 29.92,914 32.22,915 126.177,916 209.382,917 66.371,920 75.81,921 54.118,922 69.615,923 29.92,924 126.388,925 78.297,926 105.94,927 162.627,928 55.065,929 110.517,931 135.86,932 25.145,935 36.45,936 104.468,937 100.007,938 32.22,939 135.86,940 61.595,941 236.694,944 105.94,945 73.968,946 87.43,948 166.811,949 105.94,950 91.515,951 236.694,953 0.594,954 0.354,955 0.198,956 0.112,957 23,958 11,959 0.075,960 3,961 1,962 1.091,963 3.842,964 253.772,965 0.091,966 22,967 128.606,969 1,973 19.037,974 7.61,975 3.701,977 91.515,978 8.234,983 -0.132,986 434.149,987 42,992 12.431,994 4.53,995 8.19,996 0.593,998 38.8,999 41.268,1000 0.388,1001 0.72,1002 0.868,1003 0.958,1004 0.958,1005 0.958,1006 5.024,1007 1.743,1008 5.911,1009 5.104,1010 4.511,1011 5.069,1012 3.31,1013 6.765,1014 4.36,1015 6.262,1016 1.415,1017 7.499,1018 4.741,1019 4.205,1020 4.913,1022 7.756,1023 3.93,1024 7.59,1025 1.351,1026 9.187,1027 3.648,1028 6.146,1029 7.27,1030 5.574,1031 10.894,1032 5.884,1033 8.95,1034 0.871,1035 10.934,1036 3.312,1037 6.621,1038 7.89,1040 12.737,1041 6.261,1042 10.34,1043 0.398,1044 12.719,1045 2.117,1046 8.072,1047 9.739,1048 7.985,1049 15.422,1050 7.719,1051 11.752,1052 0.288,1053 14.532,1054 0.971,1055 8.916,1056 10.745,1058 17.636,1059 8.495,1060 13.182,1061 -0.151,1062 16.367,1063 0.691,1064 10.179,1065 12.37,1066 10.413,1067 20.173,1068 9.752,1069 3.3,1070 -0.347,1071 18.22,1072 -0.374,1073 11.196,1074 13.577,1076 22.546,1077 10.723,1078 2.906,1079 12.073,1080 20.087,1081 -0.757,1082 12.39,1083 15.097,1084 12.843,1085 25.039,1086 11.902,1087 2.786,1088 9.257,1089 21.966,1090 4.28,1091 13.488,1092 16.409,1094 27.478,1095 12.968,1096 2.406,1097 8.827,1098 23.855,1099 3.894,1100 14.659,1101 17.88,1102 15.272,1103 29.962,1104 14.121,1105 2.136,1106 7.21,1107 25.753,1108 3.648,1109 15.797,1110 19.248,1112 32.428,1113 15.232,1114 1.934,1115 6.279,1116 27.659,1117 3.147,1118 16.965,1119 20.697,1120 17.702,1121 34.912,1122 16.38,1123 1.879,1124 5.588,1125 29.57,1126 2.745,1127 18.121,1128 22.096,1130 37.391,1131 17.513,1132 9030,1133 18837,1134 20.403,1135 29.517,1136 48.27,1137 51.825,1138 49.211,1139 47.199,1140 46.83,1141 61.825,1142 10.391,1143 139.634,1144 42.898,1145 5.486,1146 6.62,1147 6.59,1148 5.404,1149 5.3,1150 7.28,1151 6.74,1152 19.503,1153 5.195,1154 15.262,1155 1.557,1156 1.672,1157 1.587,1158 1.523,1159 1.511,1160 1.994,1161 0.335,1162 4.504,1163 1.384,1164 4.021,1165 4.042,1166 4.149,1167 3.958,1168 8.211,1169 3.954,1170 3.897,1171 3.915,1172 4.051,1173 3.851,1174 8.191,1175 3.834,1176 3.771,1177 3.805,1178 3.802,1179 3.66,1180 7.431,1181 3.668,1182 3.419,1183 3.448,1184 3.582,1185 3.289,1186 5.023,1187 3.286,1188 3.062,1189 3.11,1190 3.535,1191 2.95,1192 4.836,1193 2.93,1194 2.934,1195 2.968,1196 3.16,1197 2.849,1198 4.632,1199 2.815,1200 2.901,1201 2.934,1202 3.066,1203 2.824,1204 4.496,1205 2.803,1206 2.885,1207 2.918,1208 2.916,1209 2.733,1210 4.358,1211 2.733,1212 0.15,1213 0.149,1214 0.227,1215 0.138,1216 0.106,1217 4.659,1218 0.138,1219 4.62,1220 0.109,1221 7.045,1222 0.389,1223 4.27,1224 0.103,1225 3.3,1226 4.28,1227 3.37,1228 12.073,1229 3.195,1230 1.952,1231 1.939,1232 1.985,1233 2.047,1234 1.152,1235 2.035,1236 1.86,1237 1.845,1238 1.917,1239 1.944,1240 1.038,1241 1.945,1242 1.722,1243 1.69,1244 1.807,1245 1.849,1246 0.883,1247 1.848,1248 1.337,1249 1.31,1250 1.439,1251 1.522,1252 0.467,1253 1.504,1254 1.004,1255 0.959,1256 1.121,1257 1.178,1258 0.188,1259 1.171,1260 0.865,1261 0.827,1262 1.114,1263 1.068,1264 0.16,1265 1.08,1266 0.849,1267 0.825,1268 1,1269 0.989,1270 0.105,1271 1.004,1272 0.835,1273 0.802,1274 0.869,1275 0.962,1276 0.073,1277 0.979,1278 4.143,1280 5.493,1282 7.047,1284 8.699,1286 10.401,1289 12.496,1290 26.974,1298 1.018,1300 1.389,1305 29.022,1306 74.755,1307 138.711,1308 167.24,1309 184.75,1310 184.75,1311 184.75,1312 65.282,1313 7.782,1314 47.26,1315 72.56,1316 24,1317 12.72,1318 4.17,1319 3.585,1320 42.438,1321 108,1322 114,1323 0.198,1324 185.822,1325 339.84,1326 445.166,1327 25663,1328 10.8,1329 19.836,1330 0.708,1331 0.578,1332 19.449,1333 16.195,1334 13.436,1335 0.433,1336 0.306,1337 7.912,1338 11.887,1339 7.662,1340 6.261,1341 13.617,1342 9.471,1343 12.589,1344 0.28,1345 0.168,1346 12.874,1347 7.576,1348 10.617,1349 0.174,1350 0.09,1351 11.159,1352 5.52,1353 9.166,1354 0.11,1355 0.049,1356 10.128,1357 4.053,1358 7.701,1359 0.071,1360 0.026,1361 8.564,1362 2.785,1363 0.308,1364 94.793,1365 0.221,1366 26.455,1367 0.554,1368 152,1369 622.16,1370 225.339,1371 631.651,1372 821.71,1373 584,1374 182,1375 531.755,1376 244.079,1377 560.053,1378 827.23,1379 527,1380 5.1}
{0 CHEMBL1230122,1 1.817,2 11.893,3 2.065,4 4.265,5 100.648,6 8.444,7 0.387,8 3.972,9 4.075,10 3.634,11 3.442,12 5.174,13 3.477,14 4.524,15 4.679,16 4.021,17 3.817,18 5.755,19 3.846,20 4.782,21 4.965,22 4.116,23 3.925,24 6.075,25 3.942,26 4.768,27 4.987,28 3.978,29 3.838,30 6.099,31 3.833,32 4.613,33 4.811,34 3.912,35 3.774,36 5.865,37 3.773,38 4.584,39 4.779,40 3.906,41 3.762,42 5.991,43 3.76,44 4.536,45 4.727,46 3.806,47 3.765,48 5.728,49 3.735,50 4.601,51 4.82,52 3.711,53 3.674,54 5.963,55 3.624,56 0.189,57 0.829,58 7.429,59 4.048,60 15.789,61 4.522,62 0.566,63 1.297,64 16.537,65 6.78,66 36.183,67 7.75,68 1.01,69 1.543,70 24.641,71 8.321,72 85.33,73 9.967,74 1.1,75 1.527,76 26.448,77 7.762,78 127.208,79 9.774,80 0.81,81 1.229,82 21.053,83 6.784,84 61.86,85 8.709,86 0.86,87 1.264,88 19.707,89 6.207,90 89.163,91 7.913,92 0.527,93 1.277,94 18.143,95 7.345,96 45.817,97 9.064,98 0.962,99 1.287,100 22.284,101 7.417,102 110.521,103 9.248,104 17,105 44,106 0.311,107 0.688,108 0.83,109 0.855,110 0.855,111 0.855,112 3.375,113 0.856,114 -4.19,115 -4.13,116 -3.9,119 41.3,121 2,124 1,125 2,127 1,135 1,138 1,142 3,143 1,144 3,145 1,147 1,150 1,158 1,172 2,174 3,175 7,178 2,180 2,183 2,187 2,188 7,196 1,199 2,200 5,203 2,205 1,208 1,212 2,213 2,218 1,221 3,224 3,225 6,228 1,233 4,238 2,241 1,246 2,249 1,250 7,263 3,268 1,275 1118,276 18.809,277 18.809,278 18.809,279 18.809,280 18.809,281 17.006,282 29.266,283 10.996,284 19.439,285 15.29,286 15.29,287 15.29,288 15.29,289 15.29,290 12.456,291 45.306,292 5.275,293 16.348,294 3.707,295 1.508,296 0.685,297 0.538,298 0.538,299 0.538,300 4.071,303 1,304 1,305 1,306 725,307 2.646,311 326.922,315 122.023,318 2.258,319 47.37,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64,331 333,332 4.511,333 3.782,334 6.734,335 4.157,336 3.204,337 4.091,338 1.2,339 10.867,340 3.052,341 4.235,342 3.282,343 6.118,344 3.799,345 2.865,346 3.882,347 0.86,348 8.932,349 2.662,350 3.961,351 2.974,352 5.888,353 3.606,354 2.663,355 3.373,356 0.86,357 8.094,358 2.512,359 3.616,360 2.772,361 5.532,362 3.405,363 2.435,364 2.836,365 0.4,366 7.439,367 2.358,368 3.468,369 2.74,370 5.272,371 3.077,372 2.159,373 2.741,374 0.293,375 6.317,376 1.972,377 3.332,378 2.441,379 4.996,380 2.985,381 2.037,382 2.49,384 5.932,385 1.912,386 3.272,387 2.355,388 4.942,389 2.903,390 1.979,391 2.364,393 5.686,394 1.813,395 2.836,396 1.977,397 4.206,398 2.379,399 1.44,400 1.964,402 3.747,403 1.336,404 2.612,405 1.907,406 3.955,407 2.278,408 1.414,409 1.587,411 3.039,412 1.211,413 2.437,414 1.599,415 3.595,416 2.036,417 1.097,418 1.435,420 2.912,421 1.022,422 2,423 1.2,424 3.265,425 1.969,426 1,427 1,429 2.136,430 0.963,431 1.896,432 1.029,433 3.247,434 1.454,435 0.506,436 0.626,438 1.223,439 0.466,440 1.644,441 0.786,442 3.087,443 1.263,444 0.315,445 0.389,447 0.787,448 0.297,449 1.358,450 0.431,451 2.843,452 1.031,453 0.112,454 0.137,456 0.276,457 0.102,458 0.912,459 0.235,460 2.642,461 0.655,462 -0.264,463 -0.294,465 -0.685,466 -0.241,467 12.671,468 0.453,469 0.75,470 0.027,471 36,472 1.286,473 16.5,474 0.589,475 19.5,476 0.696,477 22.217,478 0.793,479 31.129,480 0.677,481 28.614,482 1.022,483 7.218,484 0.258,485 6.29,486 0.225,487 0.111,489 0.387,491 2,493 0.694,494 1.195,495 0.638,496 1.188,497 0.537,498 0.964,499 0.833,500 0.93,501 0.77,502 0.983,503 0.581,504 0.888,505 0.984,506 1.1,507 0.927,508 1.028,509 0.842,510 0.97,511 0.947,512 0.786,513 0.991,514 0.835,515 0.891,516 0.891,517 0.804,518 0.887,519 0.884,520 0.912,521 0.681,522 0.914,523 0.76,524 0.797,525 0.982,526 0.861,527 0.819,528 0.946,529 0.75,530 1.096,531 0.92,532 1.193,533 0.811,534 1.144,535 0.924,536 0.954,537 1.137,538 1.101,539 1.046,540 1.18,541 6,542 0.07,543 3.111,544 2,545 2.013,546 0.785,547 0.889,548 0.512,549 0.312,550 0.211,551 10193,552 33537,553 2.094,554 39.1,556 12,558 1,559 1,562 4,564 1.709,565 1.953,566 3.505,567 -0.252,568 1,569 1,574 83.56,575 1.817,576 4.015,577 4.839,578 4.985,579 4.985,580 4.985,581 3.067,582 4.084,583 4.773,584 3.676,585 1389.44,586 8.294,587 18222,589 1,591 1,592 254.084,593 1.432,594 4.736,595 0.194,596 0.005,597 0.071,598 0.043,599 0.052,600 0.021,601 0.024,602 0.015,603 0.011,604 0.011,605 0.446,606 0.33,607 1,608 0.573,609 140.899,610 -0.064,611 -0.199,612 0.047,613 -0.132,614 -0.031,615 -0.03,616 -0.035,617 -0.006,618 0.061,619 -0.002,620 0.03,621 0.042,622 -0.021,623 -0.154,624 0.014,625 -0.062,626 0.016,627 -0.022,628 -0.017,629 0.102,630 -0.003,631 0.077,632 0.042,633 0.056,634 0.006,635 -0.055,636 0.04,637 0.026,638 0.01,639 0.044,640 0.069,641 0.127,642 -0.079,643 0.053,644 0.086,645 -0.03,646 -0.026,647 -0.194,648 -0.037,649 -0.18,650 -0.017,651 -0.133,652 0.08,653 0.094,654 -0.133,655 -0.112,656 0.056,657 -0.186,658 2.561,659 5.842,660 0.786,661 30.352,662 1.032,663 1.144,664 2.956,665 8.738,666 0.66,667 3.466,668 3.807,669 4.078,670 4.331,671 4.605,672 4.654,673 4.787,674 4.963,675 5.106,676 5.147,677 6.802,678 0.657,679 388.41,680 3.466,681 5.017,682 5.872,683 6.753,684 7.625,685 8.511,686 9.391,687 10.28,688 11.164,689 12.056,690 8.7,695 1,697 1,700 2,706 4,707 2,711 6,713 12,725 1,730 1,731 2,732 46,734 14,735 1,736 31,738 49,739 19,740 10,741 3,742 3,743 3,745 4,746 5,754 3,757 3,759 13,760 6,763 2,768 1,770 1,772 2,775 1,776 2,778 18,779 9,780 1,781 9,787 4,792 0.75,793 3,803 1,809 4,813 1,823 1,827 2,834 1,835 3,839 1,841 2,843 28,851 4,853 1,854 2,856 1,857 1,866 2,867 6.5,870 1,871 1,872 1,874 14.333,875 8.636,876 6.056,877 2.741,878 2.669,879 1.346,880 0.983,881 5.248,882 10.371,883 3.689,884 4.263,885 4.8,886 5.319,887 5.882,888 6.109,889 6.435,890 6.843,891 7.188,892 7.421,893 1,894 46,895 10.454,897 4.645,898 8.113,899 19.22,901 15.806,903 2.613,904 73.167,908 200.109,909 110.449,910 54.706,912 47.145,913 29.92,915 110.449,916 247.253,917 84.626,918 8.396,919 17.378,920 37.905,921 109.446,922 46.718,923 34.147,924 188.338,926 200.109,927 165.155,928 77.065,931 182.945,932 83.229,933 11,935 28.325,936 70.529,937 66.301,939 230.029,940 101.851,941 110.449,944 200.109,945 55.1,946 58.473,947 18.011,948 110.636,949 200.109,950 131.771,951 110.449,953 0.589,954 0.344,955 0.181,956 0.103,957 22,958 10,959 0.082,960 4,961 1,962 1.091,963 3.975,964 245.873,965 0.091,966 22,967 130.606,973 18.789,974 7.82,975 4.012,977 131.771,978 4.447,979 8.719,983 -0.466,985 18.011,986 442.329,987 39,992 12.611,994 1.443,996 -0.596,998 47.483,999 52.622,1000 0.329,1001 0.727,1002 0.876,1003 0.903,1004 0.903,1005 0.903,1006 4.949,1007 1.44,1008 5.866,1009 5.686,1010 4.489,1011 4.949,1012 1.968,1013 6.678,1014 4.361,1015 6.147,1016 1.414,1017 7.43,1018 3.747,1019 4.111,1020 4.771,1021 0.325,1022 7.548,1023 3.922,1024 7.454,1025 1.097,1026 9.089,1027 3.039,1028 6.089,1029 7.081,1030 1.913,1031 10.658,1032 5.851,1033 8.791,1034 1,1035 10.805,1036 2.912,1037 6.494,1038 7.677,1039 0.653,1040 12.325,1041 6.199,1042 10.159,1043 0.506,1044 12.556,1045 2.136,1046 7.961,1047 9.497,1048 1.991,1049 14.968,1050 7.62,1051 11.548,1052 0.315,1053 14.332,1054 1.223,1055 8.737,1056 10.46,1057 1.001,1058 16.998,1059 8.341,1060 12.953,1061 0.112,1062 16.126,1063 0.787,1064 9.999,1065 12.07,1066 2.144,1067 19.473,1068 9.556,1069 3.204,1070 -0.264,1071 17.936,1072 0.276,1073 10.96,1074 13.226,1075 1.37,1076 21.679,1077 10.464,1078 2.865,1079 10.867,1080 19.757,1081 -0.685,1082 12.139,1083 14.731,1084 2.352,1085 24.091,1086 11.597,1087 2.663,1088 8.932,1089 21.589,1090 4.091,1091 13.192,1092 15.991,1093 1.754,1094 26.383,1095 12.598,1096 2.435,1097 8.094,1098 23.429,1099 3.882,1100 14.341,1101 17.443,1102 2.601,1103 28.772,1104 13.701,1105 2.159,1106 7.439,1107 25.278,1108 3.373,1109 15.439,1110 18.761,1111 2.143,1112 31.108,1113 14.75,1114 2.037,1115 6.317,1116 27.132,1117 2.836,1118 16.581,1119 20.184,1120 2.879,1121 33.49,1122 15.845,1123 1.979,1124 5.932,1125 28.993,1126 2.741,1127 17.703,1128 21.535,1129 2.535,1130 35.848,1131 16.92,1132 9651,1133 17723,1134 20.69,1135 30.353,1136 47.133,1137 48.743,1138 47.877,1139 46.583,1140 46.454,1141 57.831,1142 7.226,1143 134.772,1144 43.354,1145 5.511,1146 5.782,1147 6.536,1148 5.241,1149 5.204,1150 7.091,1151 2.293,1152 18.408,1153 5.052,1154 13.532,1155 1.52,1156 1.572,1157 1.544,1158 1.503,1159 1.499,1160 1.866,1161 0.233,1162 4.347,1163 1.399,1164 4.008,1165 4.043,1166 3.98,1167 3.863,1168 8.211,1169 3.886,1170 3.884,1171 3.912,1172 3.852,1173 3.769,1174 8.191,1175 3.784,1176 3.799,1177 3.845,1178 3.685,1179 3.638,1180 7.428,1181 3.641,1182 3.476,1183 3.521,1184 3.435,1185 3.244,1186 5.004,1187 3.287,1188 3.226,1189 3.301,1190 3.097,1191 2.998,1192 4.728,1193 3.004,1194 3.111,1195 3.206,1196 2.964,1197 2.941,1198 4.61,1199 2.91,1200 3.059,1201 3.113,1202 2.873,1203 2.786,1204 4.299,1205 2.819,1206 2.917,1207 2.963,1208 2.866,1209 2.733,1210 4.091,1211 2.737,1212 0.146,1213 0.122,1214 0.217,1215 0.134,1216 0.103,1217 4.511,1218 0.132,1219 3.782,1220 0.039,1221 6.734,1222 0.351,1223 4.157,1224 0.098,1225 3.204,1226 4.091,1227 1.2,1228 10.867,1229 3.052,1230 1.901,1231 1.876,1232 2.009,1233 2.075,1234 1.345,1235 2.048,1236 1.835,1237 1.805,1238 1.951,1239 1.982,1240 1.04,1241 1.976,1242 1.762,1243 1.716,1244 1.895,1245 1.936,1246 0.986,1247 1.927,1248 1.356,1249 1.313,1250 1.581,1251 1.625,1252 0.825,1253 1.599,1254 1.195,1255 1.112,1256 1.513,1257 1.443,1258 0.627,1259 1.451,1260 1.153,1261 1.064,1262 1.406,1263 1.376,1264 0.49,1265 1.429,1266 0.958,1267 0.899,1268 1.228,1269 1.27,1270 0.321,1271 1.254,1272 0.862,1273 0.805,1274 1.117,1275 1.069,1276 0.157,1277 1.08,1278 4.143,1280 5.476,1282 7.009,1284 8.635,1286 10.308,1288 1.545,1290 26.895,1294 3.085,1296 3.253,1297 10.707,1299 0.215,1300 1.308,1305 30.211,1306 83.56,1307 184.7,1308 222.574,1309 229.329,1310 229.329,1311 229.329,1312 63.349,1313 7.702,1314 78.27,1315 78.27,1316 24,1317 12.585,1318 3.907,1319 3.17,1320 42.538,1321 117,1322 112,1323 0.185,1324 181.594,1325 327.41,1326 434.85,1327 23520,1328 4.3,1329 19.673,1330 0.703,1331 0.54,1332 17.933,1333 15.115,1334 13.508,1335 0.436,1336 0.285,1337 8.64,1338 12.666,1339 8.52,1340 6.979,1341 12.704,1342 8.85,1343 12.448,1344 0.283,1345 0.149,1346 11.297,1347 6.553,1348 10.617,1349 0.183,1350 0.079,1351 9.763,1352 4.584,1353 8.605,1354 0.115,1355 0.041,1356 7.989,1357 3.061,1358 7.222,1359 0.073,1360 0.021,1361 6.794,1362 2.059,1363 0.291,1364 87.067,1365 0.22,1366 26.866,1367 0.504,1368 150,1369 620.697,1370 175.427,1371 531.617,1372 704.05,1373 496,1374 177,1375 504.635,1376 202.555,1377 490.705,1378 724.33,1379 461,1380 5.1}
{0 CHEMBL1236126,1 1.671,2 11.656,3 3.609,4 13.026,5 115.911,6 7.866,7 0.471,8 4.128,9 4.235,10 3.718,11 3.601,12 5.357,13 3.608,14 4.648,15 4.805,16 4.103,17 3.989,18 5.954,19 3.982,20 4.908,21 5.085,22 4.175,23 4.11,24 6.145,25 4.093,26 5.07,27 5.295,28 4.11,29 4.059,30 6.308,31 4.04,32 4.772,33 4.94,34 4.115,35 4.012,36 6.062,37 4.01,38 4.886,39 5.065,40 4.119,41 4.083,42 6.318,43 4.045,44 4.928,45 5.145,46 4.008,47 4.061,48 6.069,49 4,50 4.822,51 5.027,52 3.981,53 3.964,54 6.116,55 3.917,56 0.224,57 0.812,58 10.547,59 4.887,60 15.763,61 6.084,62 0.582,63 1.263,64 20.509,65 8.204,66 81.66,67 10.646,68 0.549,69 1.529,70 27.708,71 9.748,72 49.293,73 13.032,74 1.347,75 1.54,76 39.425,77 10.024,78 156.867,79 13.744,80 0.591,81 1.361,82 23.973,83 8.317,84 65.628,85 10.898,86 0.945,87 1.46,88 27.887,89 9.578,90 129.963,91 12.871,92 0.759,93 1.448,94 31.373,95 10.638,96 92.383,97 14.482,98 0.946,99 1.327,100 27.739,101 8.755,102 110.013,103 12.195,104 82,105 49,106 0.273,107 0.637,108 0.77,109 0.827,110 0.827,111 0.827,112 3.502,113 0.882,114 -4.82,115 -4.73,116 -4.44,119 39.3,120 3,121 1,123 1,125 2,142 7,143 1,144 2,146 1,152 1,158 2,162 1,166 2,172 8,174 3,175 10,178 3,180 2,183 8,188 18,193 2,196 3,199 3,200 12,203 1,205 4,208 3,212 2,213 8,216 1,218 2,221 9,224 3,225 6,228 4,229 1,230 1,233 6,237 3,238 8,243 2,246 7,249 5,250 4,253 2,255 2,258 5,263 6,266 1,268 5,271 5,275 1930,276 20.703,277 20.703,278 20.703,279 20.703,280 20.703,281 18.338,282 24.987,283 12.06,284 21.084,285 16.727,286 16.727,287 16.727,288 16.727,289 16.727,290 12.959,291 29.433,292 5.669,293 17.342,294 4.137,295 1.905,296 1.088,297 0.737,298 0.737,299 0.737,300 4.177,304 1,305 1,306 768,307 4.848,310 76.913,311 205.937,314 143.629,318 1.969,319 51.329,322 1,323 0.83,324 0.83,325 0.8,326 0.5,327 1,328 1,329 0.85,330 72,331 373,332 4.646,333 4.017,334 7.058,335 4.29,336 3.296,337 4.595,338 2.612,339 11.371,340 3.274,341 4.385,342 3.783,343 6.761,344 4.15,345 3.209,346 4.015,347 2.443,348 11.118,349 3.022,350 4.323,351 3.579,352 6.144,353 3.89,354 2.898,355 3.555,356 1.058,357 9.01,358 2.871,359 3.988,360 3.237,361 5.813,362 3.542,363 2.571,364 3.44,365 0.286,366 7.868,367 2.495,368 3.808,369 2.762,370 5.633,371 3.391,372 2.441,373 3.245,375 7.483,376 2.299,377 3.345,378 2.442,379 5.234,380 2.919,381 1.977,382 2.62,384 6.321,385 1.852,386 3.21,387 2.299,388 4.866,389 2.769,390 1.823,391 2.487,393 5.319,394 1.722,395 3.111,396 2.079,397 4.244,398 2.533,399 1.538,400 2.332,402 3.782,403 1.522,404 2.769,405 1.933,406 4.212,407 2.416,408 1.452,409 1.731,411 3.621,412 1.394,413 2.653,414 1.653,415 3.836,416 2.35,417 1.345,418 1.639,420 3.098,421 1.327,422 2.589,423 1.595,424 3.629,425 2.05,426 1.054,427 1.588,429 2.556,430 1.043,431 2.516,432 1.183,433 3.435,434 2,435 1,436 1.469,438 2.321,439 1,440 2.178,441 1.148,442 3.314,443 1.797,444 0.837,445 1.08,447 1.903,448 0.797,449 1.435,450 1,451 2.916,452 1.152,453 0.229,454 0.265,456 0.421,457 0.209,458 1.204,459 0.77,460 2.825,461 0.77,462 -0.19,463 -0.247,465 -0.523,466 -0.18,467 14.6,468 0.456,469 1.076,470 0.034,471 41.75,472 1.305,473 21,474 0.656,475 20.75,476 0.648,477 27.878,478 0.871,479 35.8,480 0.639,481 36.337,482 1.136,483 8.077,484 0.252,485 7.019,486 0.219,487 0.217,488 0.034,489 0.329,493 0.632,494 1.345,495 0.733,496 1.135,497 0.608,498 0.991,499 0.554,500 1.062,501 0.685,502 0.994,503 0.482,504 0.896,505 0.934,506 1.412,507 0.957,508 1.279,509 0.696,510 1.142,511 1.397,512 0.753,513 1.04,514 0.621,515 1.237,516 0.714,517 0.945,518 1.182,519 0.925,520 1.09,521 0.981,522 1.005,523 0.738,524 1.075,525 1.022,526 1.107,527 0.783,528 1.13,529 0.866,530 1.006,531 0.928,532 1.028,533 0.83,534 1.007,535 0.745,536 0.953,537 0.967,538 0.951,539 0.693,540 0.999,541 8.5,542 0.293,543 4.222,544 2.576,545 1.801,546 1.553,547 0.834,548 0.671,549 0.527,550 0.371,551 12885,552 42978,553 1.951,554 42.9,555 9,556 11,559 2,562 2,564 1.748,565 1.77,566 3.521,567 0.27,569 1,574 93.556,575 1.671,576 3.903,577 4.719,578 5.07,579 5.07,580 5.07,581 2.977,582 4.601,583 4.967,584 3.74,585 1854.85,586 8.712,587 27365.6,589 1,591 1,592 325.212,593 1.709,594 4.888,595 0.25,596 0.009,597 0.086,598 0.052,599 0.039,600 0.032,601 0.018,602 0.016,603 0.013,604 0.01,605 0.526,606 0.17,607 1,608 1.476,609 168.214,610 0.047,611 -0.094,612 0.035,613 -0.016,614 -0.053,615 -0.005,616 0.203,617 0.075,618 0.175,619 0.069,620 0.164,621 0.1,622 -0.1,623 -0.332,624 -0.052,625 -0.262,626 -0.007,627 -0.162,628 -0.2,629 0.18,630 0.024,631 0.282,632 -0.15,633 0.222,634 -0.066,635 -0.063,636 -0.025,637 -0.085,638 -0.08,639 -0.048,640 0.154,641 0.005,642 -0.103,643 -0.106,644 0.133,645 -0.163,646 -0.028,647 -0.03,648 0.036,649 -0.019,650 -0.055,651 0.012,652 0.15,653 0.082,654 -0.008,655 0.023,656 0.082,657 -0.025,658 2.576,659 5.709,660 0.469,661 36.977,662 1.022,663 1.132,664 3.594,665 12.917,666 0.649,667 3.555,668 3.912,669 4.127,670 4.344,671 4.595,672 4.71,673 4.883,674 5.024,675 5.106,676 5.17,677 7.274,678 0.636,679 440.5,680 3.555,681 5.118,682 5.958,683 6.847,684 7.716,685 8.608,686 9.488,687 10.383,688 11.27,689 12.167,690 7.1,697 1,698 1,700 1,701 1,705 2,706 7,707 1,711 4,712 1,713 16,720 1,726 1,732 56,734 20,735 2,736 34,738 58,739 22,740 13,741 5,742 7,743 1,745 3,746 4,751 4,752 1,757 1,759 15,760 7,763 4,765 1,768 4,772 2,775 1,778 24,779 8,780 2,781 10,784 1,787 4,792 0.667,793 6,794 1,808 1,809 2,812 1,825 1,833 1,835 2,839 3,843 32,850 1,851 3,853 1,854 1,858 1,867 10.7,868 1,870 2,872 1,873 2,874 18.083,875 10.967,876 6.972,877 3.246,878 3.297,879 1.431,880 0.913,881 7.043,882 10.948,883 3.85,884 4.474,885 5.023,886 5.594,887 6.145,888 6.5,889 6.939,890 7.299,891 7.481,892 7.791,893 0.875,894 50,895 11.883,897 5.134,898 8.19,899 21.69,901 17.382,903 2.69,904 86.083,907 1,908 258.964,909 126.719,910 42.365,912 154.72,915 126.719,916 413.684,917 42.365,918 32.146,919 22.651,920 109.017,921 78.971,922 28.128,923 2.144,924 258.964,925 50.747,926 258.964,927 169.084,928 154.72,931 235.422,932 84.832,933 93.43,935 55.069,936 91.56,937 22.456,939 258.964,940 197.085,941 126.719,944 258.964,945 33.909,946 100.378,947 18.011,948 171.506,949 258.964,950 197.085,951 126.719,953 0.591,954 0.332,955 0.16,956 0.095,957 22,958 12,959 0.155,960 9,961 1,962 1.133,963 4.117,964 285.889,965 0.133,966 15,967 153.245,973 23.544,974 9.572,975 5.583,976 1.153,977 189.516,978 10.319,979 4.443,983 0.446,984 1.718,985 60.694,986 582.768,987 46,989 -0.576,992 46.873,996 -0.954,998 57.207,999 63.402,1000 0.288,1001 0.672,1002 0.813,1003 0.873,1004 0.873,1005 0.873,1006 5.106,1007 1.538,1008 5.999,1009 5.319,1010 4.595,1011 5.162,1012 3.198,1013 6.853,1014 4.527,1015 6.354,1016 1.452,1017 7.601,1018 3.782,1019 4.443,1020 5.198,1021 2.946,1022 8.005,1023 4.362,1024 7.697,1025 1.345,1026 9.312,1027 3.621,1028 6.282,1029 7.422,1030 4.717,1031 11.013,1032 6.153,1033 9.074,1034 1.054,1035 11.085,1036 3.098,1037 6.899,1038 8.232,1039 5.082,1040 12.936,1041 6.762,1042 10.481,1043 1,1044 12.897,1045 2.556,1046 8.294,1047 10.005,1048 6.44,1049 15.531,1050 8.118,1051 11.909,1052 0.837,1053 14.735,1054 2.321,1055 9.228,1056 11.166,1057 7.069,1058 17.751,1059 9.042,1060 13.353,1061 0.229,1062 16.593,1063 1.903,1064 10.469,1065 12.767,1066 8.237,1067 20.218,1068 10.254,1069 3.296,1070 -0.19,1071 18.465,1072 0.421,1073 11.537,1074 14.101,1075 9.001,1076 22.556,1077 11.307,1078 3.209,1079 11.371,1080 20.348,1081 -0.523,1082 12.725,1083 15.636,1084 10.071,1085 24.985,1086 12.472,1087 2.898,1088 11.118,1089 22.241,1090 4.595,1091 13.85,1092 17.056,1093 10.91,1094 27.37,1095 13.581,1096 2.571,1097 9.01,1098 24.141,1099 4.015,1100 15.022,1101 18.569,1102 11.925,1103 29.79,1104 14.733,1105 2.441,1106 7.868,1107 26.047,1108 3.555,1109 16.173,1110 20.033,1111 12.807,1112 32.194,1113 15.867,1114 1.977,1115 7.483,1116 27.958,1117 3.44,1118 17.343,1119 21.54,1120 13.793,1121 34.612,1122 17.02,1123 1.823,1124 6.321,1125 29.874,1126 3.245,1127 18.506,1128 23.029,1129 14.701,1130 37.025,1131 18.167,1132 12946,1133 23852,1134 21.383,1135 36.364,1136 52.031,1137 54.922,1138 53.484,1139 51.322,1140 51.342,1141 68.123,1142 12.799,1143 152.385,1144 49.651,1145 5.503,1146 6.017,1147 6.917,1148 5.362,1149 5.296,1150 7.595,1151 4.612,1152 18.499,1153 5.274,1154 21.712,1155 1.53,1156 1.615,1157 1.573,1158 1.509,1159 1.51,1160 2.004,1161 0.376,1162 4.482,1163 1.46,1164 4.134,1165 4.175,1166 4.107,1167 3.998,1168 7.815,1169 4.019,1170 3.984,1171 4.008,1172 3.951,1173 3.866,1174 7.433,1175 3.875,1176 3.781,1177 3.82,1178 3.691,1179 3.637,1180 7.428,1181 3.638,1182 3.611,1183 3.664,1184 3.544,1185 3.45,1186 6.999,1187 3.449,1188 3.551,1189 3.577,1190 3.46,1191 3.232,1192 6.456,1193 3.28,1194 3.386,1195 3.43,1196 3.293,1197 3.077,1198 5.033,1199 3.142,1200 3.18,1201 3.209,1202 3.109,1203 2.919,1204 4.663,1205 2.962,1206 2.979,1207 3.019,1208 2.878,1209 2.795,1210 4.534,1211 2.798,1212 0.137,1213 0.118,1214 0.208,1215 0.126,1216 0.097,1217 4.646,1218 0.135,1219 4.017,1220 0.077,1221 7.058,1222 0.334,1223 4.29,1224 0.096,1225 3.296,1226 4.595,1227 2.612,1228 11.371,1229 3.274,1230 1.929,1231 1.906,1232 2.019,1233 2.09,1234 1.243,1235 2.054,1236 1.919,1237 1.897,1238 2.01,1239 2.041,1240 1.173,1241 2.031,1242 1.745,1243 1.7,1244 1.967,1245 1.922,1246 1.094,1247 1.933,1248 1.646,1249 1.585,1250 1.858,1251 1.853,1252 1.055,1253 1.851,1254 1.381,1255 1.332,1256 1.511,1257 1.723,1258 0.611,1259 1.651,1260 1.205,1261 1.17,1262 1.417,1263 1.587,1264 0.469,1265 1.524,1266 1.051,1267 1.013,1268 1.417,1269 1.349,1270 0.469,1271 1.317,1272 0.969,1273 0.937,1274 1.312,1275 1.239,1276 0.345,1277 1.308,1278 4.234,1280 5.58,1281 2.398,1282 7.102,1283 4.844,1284 8.705,1285 7.034,1286 10.351,1288 5.247,1293 9.248,1294 0.74,1296 2.677,1297 5.424,1301 -0.674,1305 35.642,1306 93.556,1307 218.551,1308 264.276,1309 283.928,1310 283.928,1311 283.928,1312 97.292,1313 7.652,1314 139.27,1315 139.27,1316 17,1317 12.694,1318 4.392,1319 3.7,1320 60.984,1321 136,1322 128,1323 0.216,1324 221.502,1325 389.72,1326 532.226,1327 21201,1329 23.466,1330 0.733,1331 0.562,1332 23.466,1333 17.993,1334 15.096,1335 0.444,1336 0.294,1337 9.813,1338 14.296,1339 9.505,1340 7.947,1341 15.096,1342 9.992,1343 14.551,1344 0.297,1345 0.168,1346 14.551,1347 8.216,1348 11.144,1349 0.183,1350 0.076,1351 11.144,1352 4.627,1353 8.42,1354 0.111,1355 0.038,1356 8.42,1357 2.918,1358 7.069,1359 0.072,1360 0.021,1361 7.069,1362 2.027,1363 0.338,1364 96.504,1365 0.216,1366 29.842,1367 0.595,1368 166,1369 598.096,1370 189.384,1371 563.254,1372 742.66,1373 518,1374 193,1375 539.017,1376 216.308,1377 535.347,1378 777.6,1379 499,1380 5.1}
{0 CHEMBL1241473,1 1.779,2 11.25,3 3.059,4 9.357,5 115.249,6 8.47,7 0.529,8 4.084,9 4.19,10 3.734,11 3.498,12 5.398,13 3.546,14 4.547,15 4.689,16 4.064,17 3.826,18 5.937,19 3.87,20 4.678,21 4.809,22 4.205,23 3.963,24 5.996,25 4.007,26 4.839,27 4.992,28 4.262,29 4.013,30 6.268,31 4.039,32 4.934,33 5.12,34 4.119,35 4.037,36 6.146,37 4.038,38 4.878,39 5.073,40 4.119,41 4.012,42 6.146,43 3.994,44 4.902,45 5.137,46 4.111,47 3.925,48 6.16,49 3.929,50 4.767,51 4.97,52 4.039,53 3.76,54 6.356,55 3.802,56 0.3,57 0.783,58 8.609,59 3.93,60 12.204,61 4.603,62 0.743,63 1.114,64 17.595,65 6.449,66 77.135,67 7.545,68 0.742,69 1.323,70 17.95,71 6.897,72 44.933,73 8.235,74 1.037,75 1.432,76 22.95,77 7.948,78 74.64,79 10.123,80 1.185,81 1.467,82 29.422,83 8.507,84 99.906,85 10.538,86 1.018,87 1.448,88 26.585,89 8.392,90 69.077,91 11.44,92 0.992,93 1.38,94 31.109,95 8.375,96 86.313,97 12.364,98 1.219,99 1.172,100 26.029,101 6.202,102 152.081,103 8.399,104 75,105 47,106 0.294,107 0.635,108 0.735,109 0.793,110 0.808,111 0.834,112 3.502,113 0.805,114 -2.48,115 -2.5,116 -2.45,119 38.5,124 3,142 6,143 1,144 6,145 1,147 1,150 1,158 1,163 1,164 1,165 1,166 2,172 4,174 2,175 3,177 1,178 4,180 5,183 5,185 1,187 4,188 3,191 1,193 3,196 2,198 1,199 5,200 10,203 6,204 2,205 3,207 1,210 2,213 5,216 2,218 1,223 1,224 5,225 9,227 1,228 3,230 4,237 3,238 9,240 1,241 1,243 2,249 3,250 7,252 3,253 6,254 1,255 1,257 1,258 4,262 2,266 1,271 4,275 1728,276 21.472,277 21.472,278 21.472,279 21.472,280 21.472,281 18.824,282 34.859,283 12.488,284 22.246,285 16.571,286 16.571,287 16.571,288 16.571,289 16.571,290 12.402,291 58.25,292 5.596,293 17.552,294 3.921,295 1.86,296 1.261,297 0.909,298 0.818,299 0.659,300 4.181,304 1,305 1,306 744,307 3.937,311 337.437,318 1.672,319 46.691,322 0.75,323 0.83,324 0.67,325 0.5,327 0.67,328 0.5,329 0.56,330 73,331 360,332 4.457,333 3.805,334 6.524,335 4.036,336 3.083,337 4.164,338 2.612,339 10.266,340 2.973,341 4.415,342 3.537,343 6.492,344 4.002,345 3.048,346 4.099,347 0.98,348 10.114,349 2.887,350 4.285,351 3.375,352 6.344,353 3.865,354 2.887,355 3.91,356 0.86,357 9.518,358 2.798,359 3.835,360 2.921,361 5.543,362 3.397,363 2.472,364 3.294,365 0.86,366 7.516,367 2.283,368 3.517,369 2.696,370 5.19,371 3.043,372 2.078,373 2.843,374 0.86,375 6.118,376 2.007,377 3.374,378 2.555,379 5.118,380 2.972,381 2.061,382 2.614,383 0.4,384 6.069,385 1.896,386 3.355,387 2.418,388 4.963,389 2.945,390 1.98,391 2.604,392 0.4,393 5.595,394 1.867,395 3.179,396 2.073,397 4.617,398 2.67,399 1.705,400 2.416,402 4.478,403 1.637,404 2.873,405 1.878,406 3.787,407 2.364,408 1.381,409 2.015,411 3.112,412 1.355,413 2.696,414 1.592,415 3.736,416 2.101,417 1.17,418 1.758,420 2.738,421 1.089,422 2.532,423 1.342,424 3.673,425 2.016,426 1.116,427 1.475,429 2.373,430 1.01,431 2.199,432 1.283,433 3.466,434 1.96,435 1,436 1.184,438 2.304,439 0.932,440 1.576,441 1.019,442 2.952,443 1.27,444 0.396,445 0.452,447 0.603,448 0.342,449 1.507,450 1,451 2.935,452 1.201,453 0.354,454 0.38,456 0.521,457 0.297,458 1.424,459 0.916,460 2.859,461 1.084,462 0.146,463 0.186,465 0.349,466 0.137,467 14.4,468 0.45,469 0.801,470 0.025,471 46.75,472 1.461,473 25,474 0.781,475 21.75,476 0.68,477 22.687,478 0.709,479 35.4,480 0.681,481 41.336,482 1.292,483 9.847,484 0.308,485 5.524,486 0.173,487 0.201,489 0.375,493 0.767,494 1.371,495 0.693,496 1.134,497 0.644,498 0.923,499 0.994,500 0.948,501 0.735,502 0.826,503 0.536,504 0.735,505 0.882,506 1.31,507 0.839,508 1.143,509 0.778,510 1,511 0.765,512 1.196,513 0.923,514 1.185,515 0.782,516 1.127,517 1.339,518 1.019,519 1.193,520 0.909,521 1.036,522 0.985,523 0.795,524 1.135,525 1.006,526 1.087,527 0.685,528 1.108,529 0.815,530 1.072,531 0.737,532 0.929,533 0.957,534 0.818,535 1.068,536 0.757,537 0.994,538 0.744,539 1.112,540 0.798,541 7,542 0.293,543 3.556,544 2.938,545 2,546 1.41,547 0.772,548 0.705,549 0.385,550 0.332,551 12596,552 45694,553 1.976,554 38.5,556 15,558 1,559 4,564 1.749,565 1.811,566 3.455,567 1.694,569 1,574 92.526,575 1.779,576 3.841,577 4.44,578 4.791,579 4.883,580 5.042,581 2.854,582 4.078,583 4.974,584 3.651,585 1810.85,586 8.724,587 26520.7,589 1,591 1,592 296.423,593 1.531,594 4.907,595 0.206,596 0.009,597 0.076,598 0.055,599 0.038,600 0.03,601 0.017,602 0.015,603 0.009,604 0.011,605 0.466,606 0.17,607 0.88,608 1.054,609 167.329,610 -0.021,611 -0.127,612 0.034,613 -0.065,614 -0.089,615 -0.007,616 -0.023,617 0.139,618 0.141,619 0.204,620 0.163,621 0.209,622 -0.008,623 -0.152,624 -0.021,625 -0.125,626 -0.059,627 -0.085,628 0.177,629 -0.099,630 -0.037,631 -0.208,632 0.101,633 -0.209,634 -0.308,635 -0.025,636 -0.218,637 0.053,638 -0.204,639 -0.034,640 0.043,641 -0.098,642 -0.067,643 -0.111,644 0.03,645 -0.13,646 0.037,647 -0.132,648 0.303,649 0.02,650 0.025,651 0.209,652 0.044,653 0.237,654 0.038,655 0.127,656 0.252,657 0.105,658 2.64,659 4.681,660 0.563,661 31.25,662 1.034,663 1.138,664 1.246,665 1.552,666 0.656,667 3.555,668 3.871,669 4.143,670 4.394,671 4.575,672 4.644,673 4.736,674 4.82,675 4.868,676 5.037,677 6.994,678 0.656,679 440.46,680 3.555,681 5.094,682 5.943,683 6.823,684 7.689,685 8.574,686 9.444,687 10.33,688 11.202,689 12.089,690 11.5,697 1,698 2,700 2,701 1,706 7,707 2,711 9,713 18,719 1,725 2,726 1,730 3,732 52,734 21,735 2,736 34,738 54,739 20,740 16,741 6,742 6,743 1,745 3,746 3,759 17,760 3,763 3,765 1,768 3,772 1,775 1,778 20,779 11,780 4,781 12,787 6,792 1,793 6,803 1,809 3,835 3,839 3,843 32,844 1,853 2,854 3,867 11.5,870 1,872 3,873 2,874 17.667,875 10.267,876 7.333,877 2.563,878 3.487,879 1.462,880 0.947,881 7.426,882 11.04,883 3.85,884 4.46,885 5.012,886 5.57,887 6.067,888 6.313,889 6.628,890 6.977,891 7.323,892 7.791,893 1,894 53,895 11.749,897 4.935,898 8.161,899 21.181,901 16.182,903 2.661,904 85.167,907 1,908 188.338,909 134.672,910 108.16,912 108.892,915 134.672,916 297.229,917 108.16,918 38.319,919 32.897,920 56.857,921 75.192,922 105.255,923 4.227,924 176.567,925 50.747,926 188.338,927 242.832,928 108.892,931 188.338,932 58.145,933 50.747,935 79.865,936 123.725,937 39.241,939 188.338,940 217.051,941 134.672,944 188.338,945 36.118,946 104.224,947 36.022,948 175.36,949 188.338,950 217.051,951 134.672,953 0.574,954 0.35,955 0.196,956 0.101,957 20,958 11,959 0.167,960 9,962 1,963 4.082,964 287.828,966 18,967 150,973 23.214,974 10.236,975 5.252,977 211.381,978 10.616,979 8.199,983 1.611,985 68.919,986 540.061,987 46,989 -0.64,992 34.61,996 -0.694,998 53.76,999 59.153,1000 0.312,1001 0.674,1002 0.779,1003 0.84,1004 0.857,1005 0.884,1006 5.078,1007 1.705,1008 5.938,1009 5.595,1010 4.554,1011 5.147,1012 2.955,1013 6.763,1014 4.449,1015 6.302,1016 1.381,1017 7.512,1018 4.478,1019 4.205,1020 5.066,1021 2.361,1022 7.716,1023 4.073,1024 7.624,1025 1.17,1026 9.184,1027 3.112,1028 6.163,1029 7.37,1030 4.233,1031 10.793,1032 5.97,1033 8.982,1034 1.116,1035 10.914,1036 2.738,1037 6.608,1038 8.058,1039 4.506,1040 12.536,1041 6.381,1042 10.367,1043 1,1044 12.679,1045 2.373,1046 8.053,1047 9.868,1048 5.959,1049 15.131,1050 7.78,1051 11.772,1052 0.396,1053 14.467,1054 2.304,1055 8.858,1056 10.911,1057 6.556,1058 17.199,1059 8.546,1060 13.193,1061 0.354,1062 16.273,1063 0.603,1064 10.1,1065 12.515,1066 7.796,1067 19.62,1068 9.75,1069 3.083,1070 0.146,1071 18.091,1072 0.521,1073 11.071,1074 13.733,1075 8.548,1076 21.826,1077 10.68,1078 3.048,1079 10.266,1080 19.919,1081 0.349,1082 12.231,1083 15.241,1084 9.67,1085 24.181,1086 11.802,1087 2.887,1088 10.114,1089 21.755,1090 4.164,1091 13.278,1092 16.549,1093 10.509,1094 26.446,1095 12.807,1096 2.472,1097 9.518,1098 23.596,1099 4.099,1100 14.405,1101 18.009,1102 11.563,1103 28.774,1104 13.897,1105 2.078,1106 7.516,1107 25.442,1108 3.91,1109 15.486,1110 19.365,1111 12.452,1112 31.065,1113 14.935,1114 2.061,1115 6.118,1116 27.292,1117 3.294,1118 16.602,1119 20.801,1120 13.468,1121 33.384,1122 16.012,1123 1.98,1124 6.069,1125 29.145,1126 2.843,1127 17.699,1128 22.181,1129 14.386,1130 35.686,1131 17.067,1132 12588,1133 24162,1134 21.789,1135 34.091,1136 49.855,1137 52.579,1138 53.456,1139 49.625,1140 49.808,1141 66.856,1142 13.944,1143 143.477,1144 47.071,1145 5.265,1146 5.805,1147 6.206,1148 5.11,1149 5.083,1150 7.164,1151 4.612,1152 17.186,1153 4.973,1154 20.135,1155 1.466,1156 1.546,1157 1.572,1158 1.46,1159 1.465,1160 1.966,1161 0.41,1162 4.22,1163 1.384,1164 4.026,1165 4.063,1166 4,1167 3.889,1168 7.815,1169 3.904,1170 3.919,1171 3.936,1172 3.882,1173 3.824,1174 7.437,1175 3.835,1176 3.86,1177 3.884,1178 3.828,1179 3.66,1180 6.999,1181 3.7,1182 3.462,1183 3.503,1184 3.447,1185 3.081,1186 5.033,1187 3.13,1188 3.338,1189 3.391,1190 3.259,1191 3.061,1192 4.928,1193 3.116,1194 3.303,1195 3.355,1196 3.144,1197 3.006,1198 4.894,1199 3.026,1200 3.249,1201 3.311,1202 3.118,1203 2.906,1204 4.679,1205 2.956,1206 3.191,1207 3.269,1208 2.976,1209 2.868,1210 4.58,1211 2.889,1212 0.131,1213 0.112,1214 0.192,1215 0.119,1216 0.091,1217 4.457,1218 0.122,1219 3.805,1220 0.077,1221 6.524,1222 0.302,1223 4.036,1224 0.087,1225 3.083,1226 4.164,1227 2.612,1228 10.266,1229 2.973,1230 1.925,1231 1.898,1232 2.014,1233 2.103,1234 1.099,1235 2.056,1236 1.875,1237 1.86,1238 1.949,1239 2,1240 1.067,1241 1.987,1242 1.746,1243 1.711,1244 1.799,1245 1.962,1246 0.805,1247 1.919,1248 1.236,1249 1.179,1250 1.59,1251 1.647,1252 0.584,1253 1.565,1254 1.227,1255 1.171,1256 1.573,1257 1.558,1258 0.575,1259 1.563,1260 1.214,1261 1.163,1262 1.544,1263 1.536,1264 0.563,1265 1.522,1266 1.164,1267 1.079,1268 1.404,1269 1.512,1270 0.261,1271 1.501,1272 1.076,1273 1.017,1274 1.194,1275 1.449,1276 0.229,1277 1.434,1278 4.234,1280 5.549,1282 7.067,1284 8.681,1286 10.343,1288 4.429,1292 5.385,1296 5.733,1297 15.919,1305 34.105,1306 92.526,1307 199.713,1308 230.874,1309 249.139,1310 253.894,1311 262.158,1312 78.169,1313 7.553,1314 166.44,1315 166.44,1316 18,1317 12.623,1318 4.459,1319 3.7,1320 60.943,1321 136,1322 122,1323 0.22,1324 212.979,1325 374.48,1326 511.429,1327 19192,1329 23.25,1330 0.727,1331 0.544,1332 23.25,1333 17.41,1334 15.371,1335 0.452,1336 0.268,1337 8.861,1338 14.312,1339 8.626,1340 7.241,1341 15.371,1342 9.118,1343 13.517,1344 0.288,1345 0.133,1346 13.517,1347 6.258,1348 11.106,1349 0.179,1350 0.07,1351 11.106,1352 4.333,1353 9.499,1354 0.119,1355 0.036,1356 9.499,1357 2.878,1358 7.311,1359 0.076,1360 0.019,1361 7.311,1362 1.848,1363 0.344,1364 100.015,1365 0.214,1366 29.626,1367 0.611,1368 162,1369 645.327,1370 188.157,1371 602.356,1372 799.35,1373 558,1374 190,1375 579.271,1376 216.412,1377 578.943,1378 835.91,1379 536,1380 6.5}
{0 CHEMBL1242373,1 1.618,2 11.759,3 3.933,4 15.471,5 117.722,6 8.365,7 0.667,8 3.997,9 4.111,10 3.709,11 3.639,12 5.142,13 3.602,14 4.493,15 4.639,16 4.132,17 4.064,18 5.633,19 3.999,20 4.721,21 4.888,22 4.17,23 4.201,24 5.778,25 4.11,26 4.796,27 4.992,28 4.158,29 4.171,30 5.86,31 4.067,32 4.757,33 4.965,34 3.973,35 4.034,36 5.852,37 3.942,38 4.658,39 4.885,40 3.814,41 3.886,42 5.753,43 3.799,44 4.55,45 4.787,46 3.578,47 3.728,48 5.62,49 3.633,50 4.367,51 4.61,52 3.493,53 3.641,54 5.344,55 3.52,56 0.044,57 0.741,58 8.548,59 4.058,60 9.035,61 4.815,62 0.237,63 1.207,64 16.518,65 7.371,66 23.007,67 9.21,68 0.161,69 1.469,70 23.38,71 9.719,72 24.624,73 11.481,74 0.166,75 1.567,76 28.506,77 11.019,78 28.39,79 13.62,80 0.285,81 1.483,82 27.29,83 9.665,84 42.509,85 11.299,86 0.245,87 1.33,88 24.568,89 8.595,90 41.285,91 10.569,92 0.34,93 1.161,94 21.553,95 7.172,96 52.154,97 8.895,98 0.219,99 0.948,100 19.142,101 7.447,102 27.479,103 9.676,104 10,105 48,106 0.27,107 0.642,108 0.777,109 0.859,110 0.88,111 0.887,112 3.408,113 0.927,114 -4.9,115 -4.8,116 -4.51,119 45.8,120 1,121 2,142 7,143 5,144 2,147 1,148 1,152 1,159 1,161 1,163 1,164 1,165 1,172 13,174 1,175 3,177 1,178 3,179 1,180 5,183 20,185 1,188 2,193 5,196 16,198 1,200 8,202 1,203 1,205 10,208 8,210 2,213 10,218 9,221 3,223 3,225 9,230 8,233 4,235 3,238 2,243 3,246 8,250 1,253 2,254 1,255 1,257 1,258 12,263 1,268 1,271 12,275 1232,276 19.756,277 19.756,278 19.756,279 19.756,280 19.756,281 16.962,282 23.019,283 11.495,284 20.177,285 16.342,286 16.342,287 16.342,288 16.342,289 16.342,290 12.047,291 29.077,292 5.51,293 17.047,294 3.967,295 1.735,296 0.925,297 0.432,298 0.307,299 0.266,300 4.121,304 1,305 1,306 766,307 3.162,310 44.233,311 251.983,314 166.043,315 86.364,318 1.922,319 21.968,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 61.5,331 341,332 4.774,333 3.565,334 7.107,335 4.333,336 3.368,337 4.724,338 1.656,339 12.368,340 3.261,341 4.239,342 3.431,343 6.267,344 3.814,345 2.844,346 3.912,347 0.247,348 9.348,349 2.752,350 4.072,351 2.917,352 5.663,353 3.681,354 2.704,355 3.661,357 7.811,358 2.641,359 3.798,360 2.737,361 5.577,362 3.426,363 2.457,364 3.199,366 7.387,367 2.374,368 3.609,369 2.507,370 5.34,371 3.185,372 2.238,373 2.95,375 6.762,376 2.119,377 3.432,378 2.252,379 5.104,380 2.991,381 2.047,382 2.754,384 5.911,385 1.919,386 3.256,387 2.133,388 4.88,389 2.808,390 1.865,391 2.533,393 5.552,394 1.749,395 3.116,396 1.971,397 4.716,398 2.707,399 1.734,400 2.301,402 4.854,403 1.692,404 3.013,405 1.906,406 4.483,407 2.664,408 1.68,409 2.165,411 4.549,412 1.611,413 2.816,414 1.374,415 4.156,416 2.286,417 1.344,418 1.96,420 3.411,421 1.261,422 2.658,423 1.24,424 3.576,425 2.179,426 1.181,427 1.729,429 2.588,430 1.178,431 2.301,432 0.958,433 3.479,434 1.853,435 0.893,436 1.225,438 2.221,439 0.852,440 1.861,441 0.643,442 3.25,443 1.476,444 0.575,445 0.719,447 1.468,448 0.507,449 1.311,450 0.616,451 2.992,452 1.017,453 0.07,454 0.083,456 0.197,457 0.066,458 1.182,459 0.273,460 2.583,461 0.772,462 -0.216,463 -0.276,465 -0.529,466 -0.207,467 14.167,468 0.489,469 0.763,470 0.026,471 42,472 1.448,473 23,474 0.793,475 19,476 0.655,477 22.772,478 0.785,479 29.033,480 0.605,481 29.481,482 1.017,483 7.941,484 0.274,485 6.14,486 0.212,487 0.087,489 0.388,493 0.875,494 1.029,495 0.721,496 0.776,497 0.729,498 0.758,499 0.407,500 0.87,501 0.728,502 0.849,503 0.441,504 0.833,505 1.017,506 1.085,507 1.069,508 1.051,509 0.938,510 1.024,511 0.759,512 1.229,513 1.04,514 1.228,515 0.719,516 1.092,517 1.551,518 1.119,519 1.181,520 1.07,521 1.498,522 1.061,523 1.394,524 1.089,525 1.014,526 0.98,527 1.351,528 0.995,529 1.804,530 0.866,531 0.982,532 0.79,533 2.032,534 0.97,535 0.757,536 0.711,537 0.791,538 0.838,539 0.975,540 0.879,541 6,542 0.136,543 2.667,544 2.694,545 1.933,546 0.91,547 0.508,548 0.364,549 0.246,550 0.222,551 11869,552 31373,553 2.171,554 39.6,555 5,556 7,558 1,559 4,560 2,564 1.716,565 2.047,566 3.502,567 1.629,569 1,574 77.65,575 1.618,576 3.849,577 4.66,578 5.153,579 5.278,580 5.319,581 2.962,582 4.625,583 4.829,584 3.693,585 1499.32,586 8.389,587 20251.6,589 1,591 1,592 268.078,593 1.361,594 4.797,595 0.182,596 0.006,597 0.056,598 0.055,599 0.042,600 0.023,601 0.015,602 0.014,603 0.01,604 0.009,605 0.412,606 0.17,607 0.88,608 0.506,609 147.745,610 -0.121,611 0.051,612 0.042,613 0.11,614 -0.109,615 0.089,616 0.35,617 0.164,618 0.146,619 0.105,620 0.183,621 0.078,622 -0.143,623 -0.071,624 -0.097,625 -0.05,626 -0.118,627 -0.084,628 0.088,629 -0.255,630 0.016,631 -0.183,632 0.113,633 -0.098,634 -0.252,635 -0.11,636 -0.175,637 -0.105,638 -0.149,639 -0.119,640 -0.173,641 -0.1,642 -0.074,643 -0.062,644 -0.074,645 -0.039,646 -0.354,647 0.101,648 -0.125,649 0.067,650 -0.379,651 -0.026,652 0.179,653 0.178,654 0.151,655 0.136,656 0.045,657 0.167,658 1.925,659 5.384,660 0.793,661 28.775,662 1.002,663 1.115,664 3.667,665 13.446,666 0.718,667 3.526,668 3.892,669 4.205,670 4.564,671 4.836,672 4.97,673 5.142,674 5.375,675 5.468,676 5.568,677 6.975,678 0.681,679 401.53,680 3.526,681 5.094,682 5.969,683 6.878,684 7.773,685 8.69,686 9.595,687 10.518,688 11.43,689 12.356,690 10.4,694 1,697 2,700 2,705 2,706 8,707 2,710 1,711 8,713 22,724 1,732 48,734 23,735 2,736 33,738 52,739 22,740 18,741 5,742 7,745 5,746 11,750 1,751 1,754 2,757 2,759 19,760 3,763 1,768 1,772 1,775 1,778 19,779 6,780 4,781 7,782 1,787 5,792 0.4,793 1,803 1,808 1,809 4,812 2,813 1,835 2,837 1,839 1,843 29,844 1,851 2,853 2,862 1,867 2.1,870 1,874 14.167,875 8.983,876 6.167,877 2.817,878 4.253,879 1.506,880 1.067,881 4.533,882 12.655,883 3.829,884 4.503,885 5.138,886 5.822,887 6.399,888 6.762,889 7.214,890 7.735,891 8.054,892 8.429,893 0.875,894 49,895 10.695,897 4.665,898 7.678,899 20.554,901 17.456,903 2.178,904 63.167,907 1,908 176.567,909 149.232,910 102.49,912 25.145,914 31.278,915 117.954,916 201.711,917 102.49,918 8.825,919 41.091,920 99.231,921 70.804,922 29.447,923 7.962,924 196.073,926 176.567,927 220.444,928 25.145,929 31.278,931 176.567,932 25.145,935 58.851,936 128.022,937 33.571,938 31.278,939 176.567,940 127.635,941 149.232,944 176.567,945 65.455,946 83.778,947 36.022,948 91.613,949 176.567,950 127.635,951 149.232,953 0.59,954 0.344,955 0.201,956 0.112,957 26,958 11,959 0.038,960 2,961 3,962 1.261,963 4.104,964 269.219,965 0.261,966 23,967 138.881,969 1,973 18.226,974 7.213,975 3.39,976 1.862,977 127.635,978 15.242,979 8.557,982 1.684,983 7.903,985 68.919,986 453.433,987 45,992 12.384,996 -0.259,998 48.098,999 53.527,1000 0.29,1001 0.689,1002 0.834,1003 0.923,1004 0.945,1005 0.952,1006 5.078,1007 1.734,1008 5.969,1009 5.552,1010 4.575,1011 5.19,1012 1.758,1013 6.821,1014 4.496,1015 6.314,1016 1.68,1017 7.545,1018 4.854,1019 4.205,1020 5.085,1021 1.195,1022 7.779,1023 4.102,1024 7.643,1025 1.344,1026 9.22,1027 4.549,1028 6.201,1029 7.47,1030 2.415,1031 10.94,1032 6.057,1033 9.007,1034 1.181,1035 10.955,1036 3.411,1037 6.635,1038 8.188,1039 2.324,1040 12.794,1041 6.465,1042 10.403,1043 0.893,1044 12.732,1045 2.588,1046 8.122,1047 10.064,1048 3.244,1049 15.497,1050 7.921,1051 11.823,1052 0.575,1053 14.54,1054 2.221,1055 8.953,1056 11.2,1057 3.407,1058 17.747,1059 8.722,1060 13.265,1061 0.07,1062 16.373,1063 1.468,1064 10.24,1065 12.867,1066 4.156,1067 20.309,1068 9.981,1069 3.368,1070 -0.216,1071 18.227,1072 0.197,1073 11.266,1074 14.214,1075 4.464,1076 22.72,1077 10.975,1078 2.844,1079 12.368,1080 20.098,1081 -0.529,1082 12.481,1083 15.797,1084 5.111,1085 25.241,1086 12.161,1087 2.704,1088 9.348,1089 21.984,1090 4.724,1091 13.599,1092 17.247,1093 5.504,1094 27.715,1095 13.246,1096 2.457,1097 7.811,1098 23.882,1099 3.912,1100 14.794,1101 18.799,1102 6.091,1103 30.227,1104 14.411,1105 2.238,1106 7.387,1107 25.79,1108 3.661,1109 15.956,1110 20.299,1111 6.531,1112 32.724,1113 15.54,1114 2.047,1115 6.762,1116 27.707,1117 3.199,1118 17.149,1119 21.843,1120 7.083,1121 35.235,1122 16.702,1123 1.865,1124 5.911,1125 29.631,1126 2.95,1127 18.333,1128 23.367,1129 7.551,1130 37.742,1131 17.852,1132 10917,1133 17910,1134 22.482,1135 34.461,1136 50.432,1137 51.192,1138 51.727,1139 49.943,1140 50.003,1141 67.828,1142 3.806,1143 148.856,1144 47.962,1145 5.66,1146 5.565,1147 6.664,1148 5.461,1149 5.368,1150 7.724,1151 2.912,1152 19.834,1153 5.261,1154 12.266,1155 1.528,1156 1.551,1157 1.567,1158 1.513,1159 1.515,1160 2.055,1161 0.115,1162 4.511,1163 1.453,1164 4.141,1165 4.157,1166 4.355,1167 4.135,1168 7.431,1169 4.099,1170 3.932,1171 3.966,1172 3.89,1173 3.859,1174 5.22,1175 3.855,1176 3.837,1177 3.871,1178 3.823,1179 3.769,1180 4.8,1181 3.757,1182 3.515,1183 3.572,1184 3.488,1185 3.337,1186 4.753,1187 3.343,1188 3.358,1189 3.409,1190 3.39,1191 3.142,1192 4.683,1193 3.168,1194 3.146,1195 3.225,1196 3.118,1197 3.003,1198 4.266,1199 2.978,1200 3.119,1201 3.179,1202 2.968,1203 2.983,1204 4.01,1205 2.968,1206 2.999,1207 3.102,1208 2.921,1209 2.811,1210 3.857,1211 2.792,1212 0.145,1213 0.108,1214 0.215,1215 0.131,1216 0.102,1217 4.774,1218 0.143,1219 3.565,1220 0.05,1221 7.107,1222 0.375,1223 4.333,1224 0.099,1225 3.368,1226 4.724,1227 1.656,1228 12.368,1229 3.261,1230 2.006,1231 1.986,1232 2.09,1233 2.08,1234 1.355,1235 2.084,1236 1.913,1237 1.883,1238 2.035,1239 2.008,1240 1.131,1241 2.018,1242 1.759,1243 1.729,1244 1.787,1245 1.914,1246 0.937,1247 1.896,1248 1.541,1249 1.511,1250 1.694,1251 1.702,1252 0.866,1253 1.705,1254 1.281,1255 1.225,1256 1.556,1257 1.524,1258 0.614,1259 1.53,1260 1.147,1261 1.08,1262 1.361,1263 1.379,1264 0.486,1265 1.405,1266 1.101,1267 1.064,1268 1.226,1269 1.284,1270 0.315,1271 1.289,1272 0.893,1273 0.839,1274 1.161,1275 1.172,1276 0.188,1277 1.186,1278 4.205,1280 5.557,1281 2.398,1282 7.106,1283 4.844,1284 8.752,1285 7.081,1286 10.452,1288 1.993,1292 6.152,1294 1.846,1296 5.803,1305 32.697,1306 77.65,1307 184.775,1308 223.672,1309 247.323,1310 253.323,1311 255.323,1312 39.126,1313 8.402,1314 92.93,1315 121.17,1316 29,1317 12.863,1318 4.585,1319 3.7,1320 39.843,1321 124,1322 115,1323 0.16,1324 201.732,1325 337.02,1326 483.987,1327 57174,1329 19.957,1330 0.688,1331 0.574,1332 20.311,1333 16.638,1334 14.081,1335 0.427,1336 0.309,1337 9.364,1338 13.268,1339 9.048,1340 7.487,1341 14.489,1342 10.198,1343 13.213,1344 0.275,1345 0.172,1346 13.856,1347 8.243,1348 11.099,1349 0.168,1350 0.095,1351 11.878,1352 6.278,1353 10.199,1354 0.107,1355 0.053,1356 11.161,1357 5.009,1358 8.419,1359 0.067,1360 0.03,1361 9.379,1362 3.695,1363 0.254,1364 91.156,1365 0.211,1366 27.622,1367 0.432,1368 162,1369 427.864,1370 199.247,1371 448.021,1372 627.58,1373 420,1374 195,1375 461.661,1376 228.205,1377 489.063,1378 720.33,1379 461,1380 5.1}
{0 CHEMBL124660,1 1.513,2 18.659,3 4.674,4 21.849,5 160.828,6 6.781,7 0.378,8 4.504,9 4.634,10 3.996,11 3.959,12 5.494,13 3.939,14 5.097,15 5.3,16 4.334,17 4.349,18 6.041,19 4.305,20 5.358,21 5.586,22 4.406,23 4.521,24 6.247,25 4.445,26 5.406,27 5.651,28 4.362,29 4.536,30 6.305,31 4.436,32 5.403,33 5.647,34 4.34,35 4.538,36 6.32,37 4.425,38 5.395,39 5.648,40 4.265,41 4.494,42 6.233,43 4.371,44 5.334,45 5.596,46 4.214,47 4.386,48 6.216,49 4.276,50 5.196,51 5.433,52 4.174,53 4.308,54 6.094,55 4.223,56 0.024,57 1.222,58 19.498,59 7.398,60 11.437,61 10.634,62 0.525,63 1.928,64 37.858,65 11.851,66 41.638,67 17.627,68 0.686,69 2.317,70 49.892,71 15.383,72 52.388,73 23.063,74 0.658,75 2.371,76 52.334,77 16.533,78 64.144,79 24.92,80 0.805,81 2.338,82 52.247,83 17.276,84 75.439,85 25.516,86 0.566,87 2.283,88 51.688,89 16.851,90 57.591,91 25.38,92 0.884,93 2.115,94 49.652,95 14.519,96 73.048,97 22.414,98 0.548,99 1.914,100 42.617,101 12.756,102 48.867,103 19.345,104 22,105 61,106 0.229,107 0.508,108 0.715,109 0.799,110 0.824,111 0.824,112 3.741,113 0.984,114 -4.15,115 -4.09,116 -3.87,119 37.3,120 2,121 4,124 1,125 8,127 1,142 6,143 1,144 4,146 1,147 1,148 1,159 1,172 5,174 3,175 14,178 2,180 2,183 5,187 2,188 9,193 2,196 3,199 3,200 7,208 7,212 5,213 6,216 2,221 6,224 2,225 5,233 1,237 5,238 6,241 1,243 3,249 2,250 6,255 1,258 2,262 2,263 9,266 1,268 1,271 5,275 4089,276 28.093,277 28.093,278 28.093,279 28.093,280 28.093,281 26.004,282 40.814,283 16.851,284 29.056,285 22.201,286 22.201,287 22.201,288 22.201,289 22.201,290 18.876,291 55.107,292 7.968,293 23.635,294 4.862,295 3.028,296 1.661,297 1.106,298 0.943,299 0.943,300 4.448,305 1,306 1652,307 4.243,311 695.423,315 211.342,318 3.243,319 34.55,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.81,330 89,331 765,332 4.597,333 3.691,334 6.725,335 4.143,336 3.185,337 4.523,338 1.701,339 10.984,340 3.055,341 4.109,342 3.34,343 6.149,344 3.813,345 2.87,346 3.657,347 0.86,348 9.064,349 2.704,350 4.049,351 3.106,352 6.048,353 3.678,354 2.742,355 3.525,356 0.86,357 8.686,358 2.559,359 3.9,360 3.011,361 5.661,362 3.565,363 2.625,364 3.129,365 0.86,366 7.513,367 2.462,368 3.607,369 2.831,370 5.519,371 3.449,372 2.521,373 2.934,374 0.8,375 7.362,376 2.34,377 3.521,378 2.595,379 5.34,380 3.274,381 2.342,382 2.714,383 0.8,384 6.965,385 2.172,386 3.477,387 2.499,388 5.196,389 3.164,390 2.227,391 2.522,392 0.563,393 6.538,394 2.072,395 3.141,396 2.307,397 4.801,398 2.813,399 1.861,400 2.334,401 0.075,402 5.225,403 1.765,404 2.983,405 2.195,406 4.415,407 2.75,408 1.812,409 2.051,411 4.53,412 1.695,413 2.903,414 2.029,415 4.351,416 2.604,417 1.629,418 1.997,420 4.046,421 1.585,422 2.731,423 1.7,424 4.024,425 2.446,426 1.497,427 1.753,429 3.39,430 1.41,431 2.589,432 1.559,433 3.882,434 2.307,435 1.387,436 1.584,438 3.134,439 1.271,440 2.5,441 1.464,442 3.7,443 2.196,444 1.237,445 1.5,447 3.119,448 1.174,449 2.401,450 1.376,451 3.447,452 2.002,453 1.073,454 1.366,456 2.578,457 1,458 2.252,459 1.146,460 3.414,461 2,462 1,463 1.214,465 2.275,466 0.988,467 19.233,468 0.469,469 0.848,470 0.021,471 48,472 1.171,473 20,474 0.488,475 28,476 0.683,477 42.849,478 1.045,479 46.767,480 0.563,481 39.363,482 0.96,483 9.074,484 0.221,485 10.921,486 0.266,487 0.095,489 0.296,493 0.859,494 1.654,495 0.862,496 1.349,497 0.646,498 1.137,499 1.143,500 1.073,501 0.965,502 0.977,503 0.664,504 0.94,505 1.237,506 1.063,507 1.021,508 0.975,509 0.934,510 0.963,511 1.054,512 1.046,513 1.003,514 1.02,515 1.244,516 1.003,517 0.931,518 0.993,519 1.003,520 1.042,521 1.335,522 1.041,523 0.939,524 1.151,525 0.99,526 1.117,527 0.935,528 1.075,529 1.054,530 0.941,531 0.995,532 0.917,533 0.839,534 0.94,535 1.264,536 1.094,537 1.064,538 1.036,539 1.092,540 1.018,541 7.5,542 0.264,543 4,544 2.125,545 2.293,546 1.25,547 0.926,548 0.63,549 0.448,550 0.345,551 33017,552 72394,553 2.105,554 50.6,555 2,556 26,558 1,559 1,561 10,562 2,564 1.801,565 2,566 4.128,567 -0.376,574 125.561,575 1.513,576 3.347,577 4.714,578 5.269,579 5.432,580 5.432,581 3.647,582 4.87,583 5.318,584 4.34,585 3558.6,586 9.376,587 67410.3,592 529.128,593 1.282,594 5.302,595 0.167,596 0.006,597 0.066,598 0.033,599 0.038,600 0.022,601 0.017,602 0.013,603 0.009,604 0.007,605 0.377,606 0.33,607 0.63,608 0.801,609 239.147,610 -0.005,611 -0.347,612 0.084,613 -0.165,614 0.016,615 -0.047,617 0.083,618 0.041,619 0.044,620 0.121,621 0.049,622 -0.077,623 -0.008,624 -0.013,625 0.026,626 -0.003,627 0.019,628 -0.031,629 -0.02,630 -0.011,631 -0.023,632 -0.028,633 -0.015,634 0.082,635 0.019,636 -0.017,637 -0.03,638 -0.033,639 -0.042,640 0.006,641 -0.165,642 -0.012,643 -0.109,644 -0.047,645 -0.072,646 0.064,647 0.046,648 0.017,649 0.029,650 0.065,651 0.017,652 -0.094,653 -0.057,654 -0.052,655 -0.058,656 -0.065,657 -0.048,658 1.779,659 5.911,660 0.683,661 71.748,662 0.998,663 1.136,664 2.92,665 8.526,666 0.633,667 3.829,668 4.127,669 4.382,670 4.635,671 4.89,672 4.956,673 5.13,674 5.252,675 5.375,676 5.464,677 10.427,678 0.596,679 562.79,680 3.829,681 5.361,682 6.201,683 7.066,684 7.923,685 8.794,686 9.661,687 10.537,688 11.41,689 12.29,690 7.2,693 1,696 1,697 2,700 2,705 2,706 7,707 2,711 5,713 17,727 1,730 3,732 83,734 18,735 2,736 45,738 87,739 31,740 14,741 6,742 6,745 5,746 6,750 1,751 2,754 3,757 5,759 15,760 16,763 1,768 1,772 1,778 42,779 10,780 1,781 10,787 6,792 0.8,793 4,803 1,809 5,813 1,831 1,835 4,839 3,843 41,851 12,853 1,854 3,856 1,857 3,867 4.8,870 1,872 3,874 20.5,875 15.583,876 9.139,877 5.374,878 3.332,879 1.377,880 0.964,881 10.415,882 12.159,883 4.016,884 4.543,885 5.077,886 5.637,887 6.214,888 6.493,889 6.88,890 7.216,891 7.519,892 7.579,893 0.923,894 64,895 15.239,897 6.347,898 7.565,899 29.822,901 24.38,903 2.065,904 84.667,908 482.615,909 153.288,910 60.955,912 58.145,915 153.288,916 540.76,917 60.955,918 28.533,919 50.606,920 56.857,921 70.487,922 71.071,923 6.604,924 470.844,926 482.615,927 214.243,928 58.145,931 341.362,932 199.398,935 82.143,936 98.529,937 33.571,939 482.615,940 119.099,941 153.288,944 482.615,945 59.278,946 103.382,947 18.011,948 91.716,949 482.615,950 119.099,951 153.288,953 0.571,954 0.328,955 0.18,956 0.1,957 27,958 12,959 0.115,960 10,961 1,962 1.071,963 5.231,964 395.481,965 0.071,966 28,967 205.66,973 29.679,974 14.388,975 7.936,976 1.721,977 119.099,978 12.966,979 9.132,983 3.743,985 18.011,986 755.002,987 54.5,992 12.911,996 -0.113,998 82.825,999 94.301,1000 0.237,1001 0.525,1002 0.74,1003 0.827,1004 0.852,1005 0.852,1006 5.259,1007 1.861,1008 6.163,1009 6.538,1010 4.812,1011 5.231,1012 2.549,1013 6.938,1014 4.694,1015 6.417,1016 1.812,1017 7.696,1018 5.225,1019 4.29,1020 4.977,1021 1.494,1022 7.766,1023 4.108,1024 7.699,1025 1.629,1026 9.328,1027 4.53,1028 6.368,1029 7.35,1030 2.805,1031 10.856,1032 6.134,1033 9.014,1034 1.497,1035 11.02,1036 4.046,1037 6.673,1038 7.967,1039 2.523,1040 12.537,1041 6.376,1042 10.367,1043 1.387,1044 12.752,1045 3.39,1046 8.193,1047 9.83,1048 3.483,1049 15.139,1050 7.854,1051 11.744,1052 1.237,1053 14.513,1054 3.134,1055 8.899,1056 10.877,1057 3.619,1058 17.193,1059 8.503,1060 13.142,1061 1.073,1062 16.294,1063 3.119,1064 10.179,1065 12.529,1066 4.385,1067 19.632,1068 9.745,1069 3.185,1070 1,1071 18.092,1072 2.578,1073 11.09,1074 13.8,1075 4.719,1076 21.859,1077 10.606,1078 2.87,1079 10.984,1080 19.903,1081 2.275,1082 12.267,1083 15.361,1084 5.379,1085 24.249,1086 11.748,1087 2.742,1088 9.064,1089 21.724,1090 4.523,1091 13.283,1092 16.747,1093 5.808,1094 26.558,1095 12.72,1096 2.625,1097 8.686,1098 23.555,1099 3.657,1100 14.421,1101 18.27,1102 6.411,1103 28.936,1104 13.822,1105 2.521,1106 7.513,1107 25.394,1108 3.525,1109 15.492,1110 19.716,1111 6.887,1112 31.285,1113 14.852,1114 2.342,1115 7.362,1116 27.239,1117 3.129,1118 16.618,1119 21.225,1120 7.458,1121 33.664,1122 15.943,1123 2.227,1124 6.965,1125 29.091,1126 2.934,1127 17.719,1128 22.701,1129 7.96,1130 36.034,1131 17.005,1132 31085,1133 46350,1134 30.512,1135 52.557,1136 66.4,1137 67.816,1138 67.682,1139 66.189,1140 66.184,1141 80.073,1142 13.04,1143 184.219,1144 62.35,1145 5.597,1146 5.691,1147 6.527,1148 5.225,1149 5.185,1150 7.523,1151 2.972,1152 18.176,1153 5.055,1154 18.625,1155 1.476,1156 1.507,1157 1.504,1158 1.471,1159 1.471,1160 1.779,1161 0.29,1162 4.094,1163 1.386,1164 4.087,1165 4.12,1166 4.057,1167 3.977,1168 7.429,1169 3.992,1170 3.933,1171 3.964,1172 3.876,1173 3.834,1174 5.092,1175 3.838,1176 3.859,1177 3.928,1178 3.725,1179 3.701,1180 4.861,1181 3.696,1182 3.786,1183 3.843,1184 3.695,1185 3.589,1186 4.754,1187 3.606,1188 3.59,1189 3.651,1190 3.478,1191 3.414,1192 4.473,1193 3.406,1194 3.571,1195 3.63,1196 3.419,1197 3.398,1198 4.427,1199 3.393,1200 3.439,1201 3.488,1202 3.317,1203 3.221,1204 4.333,1205 3.25,1206 3.299,1207 3.351,1208 3.216,1209 3.02,1210 4.286,1211 3.065,1212 0.102,1213 0.082,1214 0.149,1215 0.092,1216 0.071,1217 4.597,1218 0.101,1219 3.691,1220 0.038,1221 6.725,1222 0.244,1223 4.143,1224 0.068,1225 3.185,1226 4.523,1227 1.701,1228 10.984,1229 3.055,1230 2.006,1231 1.984,1232 2.072,1233 2.138,1234 1.418,1235 2.118,1236 1.888,1237 1.863,1238 2.058,1239 2.029,1240 1.299,1241 2.043,1242 1.836,1243 1.77,1244 1.999,1245 2.017,1246 1.175,1247 2.011,1248 1.731,1249 1.667,1250 1.921,1251 1.94,1252 1.125,1253 1.938,1254 1.581,1255 1.517,1256 1.863,1257 1.787,1258 1.094,1259 1.813,1260 1.558,1261 1.496,1262 1.828,1263 1.762,1264 1.013,1265 1.785,1266 1.345,1267 1.3,1268 1.59,1269 1.616,1270 0.825,1271 1.6,1272 1.175,1273 1.12,1274 1.513,1275 1.484,1276 0.825,1277 1.456,1278 4.511,1280 5.814,1282 7.314,1284 8.905,1286 10.546,1288 5.633,1294 11.506,1296 2.991,1297 17.52,1299 0.106,1300 6.549,1305 49.47,1306 125.561,1307 277.832,1308 391.296,1309 437.354,1310 450.864,1311 450.864,1312 74.498,1313 8.828,1314 92.29,1315 92.29,1316 30,1317 12.828,1318 4.248,1319 3.392,1320 66.785,1321 251,1322 273,1323 0.125,1324 301.57,1325 527.76,1326 727.591,1327 110217,1329 28.606,1330 0.698,1331 0.597,1332 28.606,1333 24.473,1334 19.996,1335 0.444,1336 0.328,1337 14.497,1338 19.002,1339 14.139,1340 11.709,1341 19.996,1342 14.754,1343 17.611,1344 0.289,1345 0.179,1346 17.611,1347 10.917,1348 14.504,1349 0.184,1350 0.096,1351 14.504,1352 7.568,1353 12.161,1354 0.119,1355 0.053,1356 12.161,1357 5.441,1358 10.068,1359 0.076,1360 0.029,1361 10.068,1362 3.85,1363 0.205,1364 126.469,1365 0.181,1366 37.724,1367 0.32,1368 212,1369 603.501,1370 237.526,1371 565.996,1372 780.93,1373 536,1374 246,1375 578.93,1376 272.114,1377 578.441,1378 848.02,1379 544,1380 5.1}
{0 CHEMBL1256416,1 1.444,2 12.581,3 5.056,4 25.559,5 159.425,6 7.463,7 0.13,8 4.577,9 4.679,10 4.122,11 4.04,12 5.601,13 4.01,14 5.21,15 5.369,16 4.619,17 4.49,18 6.243,19 4.45,20 5.603,21 5.769,22 4.854,23 4.775,24 6.621,25 4.72,26 5.869,27 6.072,28 4.959,29 4.933,30 6.902,31 4.846,32 5.925,33 6.141,34 5.022,35 5.022,36 6.967,37 4.925,38 6.051,39 6.272,40 4.915,41 5.061,42 7.092,43 4.951,44 5.997,45 6.237,46 4.856,47 5.051,48 6.943,49 4.911,50 6.054,51 6.318,52 4.724,53 4.974,54 6.993,55 4.808,56 0.127,57 1.145,58 20.716,59 9.761,60 28.553,61 12.208,62 0.797,63 1.905,64 44.012,65 16.606,66 88.832,67 21.423,68 1.143,69 2.624,70 70.758,71 23.101,72 143.027,73 29.488,74 2.569,75 3.201,76 103.108,77 28.694,78 239.337,79 37.814,80 1.596,81 3.544,82 102.107,83 31.748,84 232.724,85 42.774,86 2.97,87 3.749,88 125.547,89 33.777,90 337.511,91 45.176,92 1.543,93 3.769,94 103.694,95 33.837,96 217.933,97 46.81,98 2.544,99 3.624,100 127.555,101 33.264,102 309.401,103 46.276,104 174,105 71,106 0.218,107 0.499,108 0.736,109 0.858,110 0.882,111 0.892,112 3.788,113 1.042,114 -4.39,115 -4.33,116 -4.08,117 1,119 35.6,120 6,121 6,122 3,123 1,124 1,127 5,131 2,142 3,143 1,144 2,158 2,172 11,174 3,175 17,178 1,180 5,183 16,188 14,191 1,193 5,196 20,199 6,200 15,203 3,205 2,208 18,213 19,216 4,218 5,221 22,224 7,225 16,228 1,230 4,233 23,238 14,241 1,242 1,243 8,246 25,249 2,250 11,253 1,255 5,258 15,263 13,266 2,268 3,271 11,275 3597,276 27.181,277 27.181,278 27.181,279 27.181,280 27.181,281 26.067,282 28.861,283 15.079,284 27.8,285 22.514,286 22.514,287 22.514,288 22.514,289 22.514,290 20.79,291 34.193,292 6.999,293 23.509,294 5.048,295 3.188,296 1.623,297 0.817,298 0.659,299 0.592,300 4.466,305 1,306 1130,307 5.099,311 318.629,317 195.77,318 1.843,319 80.689,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.67,328 0.5,329 0.76,330 95.75,331 541,332 4.879,333 4.229,334 8.419,335 4.875,336 3.879,337 3.93,338 2.443,339 16.394,340 3.866,341 4.322,342 3.809,343 7.414,344 4.305,345 3.309,346 3.88,347 2.443,348 12.866,349 3.298,350 4.316,351 3.734,352 6.607,353 3.999,354 3.033,355 3.345,356 1.49,357 10.349,358 2.93,359 4.034,360 3.486,361 6.463,362 3.947,363 2.995,364 3.084,365 1.151,366 9.99,367 2.823,368 3.863,369 3.412,370 5.992,371 3.741,372 2.795,373 2.922,374 0.86,375 8.516,376 2.63,377 3.595,378 3.128,379 5.945,380 3.414,381 2.458,382 2.823,383 0.286,384 8.066,385 2.356,386 3.534,387 2.882,388 5.683,389 3.277,390 2.289,391 2.713,392 0.286,393 7.497,394 2.245,395 3.383,396 2.685,397 5.142,398 3.205,399 2.255,400 2.43,402 6.18,403 2.131,404 3.286,405 2.536,406 5.051,407 3.097,408 2.103,409 2.348,411 5.85,412 2.065,413 3.211,414 2.504,415 4.917,416 2.997,417 2.014,418 2.282,420 5.46,421 1.963,422 3.132,423 2.469,424 4.869,425 2.805,426 1.932,427 2.159,429 5.331,430 1.594,431 2.588,432 1.721,433 4.546,434 2.391,435 1.436,436 1.605,438 3.992,439 1.346,440 2.38,441 1.704,442 4.43,443 2.318,444 1.325,445 1.369,447 3.781,448 1.312,449 2.336,450 1.495,451 3.934,452 2.116,453 1.151,454 1.332,456 2.982,457 1.102,458 2.103,459 1.487,460 3.827,461 1.945,462 1.013,463 1.059,465 2.486,466 0.928,467 20.667,468 0.481,469 1.755,470 0.041,471 36.25,472 0.843,473 9.5,474 0.221,475 26.75,476 0.622,477 76.464,478 1.778,479 51.933,480 0.577,481 32.288,482 0.751,483 5.822,484 0.135,485 14.182,486 0.33,487 0.315,488 0.073,489 0.315,493 0.851,494 1.37,495 0.604,496 1.187,497 0.837,498 1.118,499 0.818,500 1.154,501 0.584,502 1.006,503 0.598,504 0.956,505 1.314,506 1.194,507 0.829,508 1.075,509 1.018,510 1.076,511 1.162,512 0.937,513 0.9,514 0.923,515 0.88,516 0.976,517 0.865,518 1.171,519 0.721,520 1.082,521 0.854,522 1.056,523 1.23,524 0.901,525 0.958,526 0.913,527 1.2,528 0.99,529 0.819,530 1.166,531 0.587,532 1.046,533 0.838,534 1.103,535 1.082,536 0.872,537 0.82,538 0.867,539 1.211,540 0.957,541 14.5,542 0.45,543 7.778,544 5.438,545 4.947,546 3,547 2.195,548 1.354,549 0.953,550 0.735,551 25552,552 72563,553 1.924,554 52.2,555 19,556 11,559 3,560 4,561 6,562 2,563 2,564 1.824,565 1.714,566 3.577,567 0.733,574 129.982,575 1.444,576 3.304,577 4.869,578 5.675,579 5.833,580 5.9,581 3.051,582 5.13,583 5.398,584 3.784,585 3417.3,586 9.597,587 57908.2,592 584.267,593 1.839,594 5.286,595 0.315,596 0.008,597 0.11,598 0.065,599 0.056,600 0.031,601 0.024,602 0.016,603 0.014,604 0.012,605 0.651,606 0.17,607 0.75,608 0.854,609 241.568,610 -0.06,611 -0.042,612 0.008,613 -0.022,614 -0.111,615 0.018,616 0.136,617 0.011,618 0.081,619 0.043,620 0.114,621 0.095,622 -0.151,623 -0.092,624 -0.033,625 -0.056,626 -0.1,627 -0.069,628 0.03,629 0.074,630 -0.027,631 0.045,632 0.016,633 -0.007,634 0.048,635 -0.126,636 0.022,637 -0.102,638 0.088,639 -0.05,640 -0.057,641 0.077,642 -0.098,643 0.029,644 -0.052,645 -0.034,646 -0.009,647 -0.147,648 -0.009,649 -0.115,650 0.012,651 -0.107,652 -0.08,653 0.049,654 -0.035,655 0.026,656 -0.101,657 -0.012,658 3.138,659 6.163,660 0.558,661 46.199,662 1.008,663 1.132,664 3.165,665 10.014,666 0.624,667 3.85,668 4.277,669 4.543,670 4.812,671 5.118,672 5.226,673 5.375,674 5.513,675 5.656,676 5.79,677 7.604,678 0.587,679 671.69,680 3.85,681 5.46,682 6.333,683 7.263,684 8.168,685 9.099,686 10.018,687 10.953,688 11.882,689 12.821,706 3,711 3,713 6,729 1,731 1,732 90,734 8,735 1,736 46,737 1,738 93,739 32,740 6,741 3,742 3,745 4,746 7,751 6,752 1,753 1,754 9,755 2,757 13,759 8,760 24,761 3,763 2,768 2,772 2,778 47,779 10,780 3,781 11,782 1,792 0.5,793 10,795 1,809 3,815 1,825 2,833 2,834 3,835 2,838 1,839 7,843 43,850 3,851 6,854 5,856 8,858 3,866 1,867 11.1,868 2,869 1,870 2,871 3,872 2,874 25.083,875 17.576,876 9.146,877 5.605,878 0.887,879 1.102,880 0.849,881 10.648,882 9.545,883 3.951,884 4.46,885 4.806,886 5.192,887 5.586,888 5.624,889 5.721,890 5.852,891 5.96,892 6.128,893 1,894 84,895 16.426,897 7.508,898 7.919,899 30.711,901 26.488,903 2.419,904 104,908 517.928,909 128.094,910 45.954,912 233.339,915 174.048,916 751.268,918 63.834,919 15.207,920 113.795,921 140.356,922 28.24,924 517.928,925 45.954,926 517.928,927 128.094,928 233.339,930 45.954,931 423.76,932 209.142,933 118.366,935 68.158,936 59.935,938 45.954,939 517.928,940 233.339,941 174.048,944 517.928,945 35.831,946 92.263,947 45.954,948 233.339,949 517.928,950 233.339,951 174.048,953 0.61,954 0.361,955 0.185,956 0.111,957 34,958 19,959 0.075,960 7,961 4,962 1.25,963 4.52,964 476.923,965 0.333,966 22,967 229.329,973 34.61,974 13.229,975 7.265,977 233.339,978 5.076,983 1.817,985 128.05,986 925.315,987 51,992 26.134,996 -1.372,998 90.709,999 101.9,1000 0.222,1001 0.509,1002 0.75,1003 0.874,1004 0.899,1005 0.909,1006 5.311,1007 2.255,1008 6.431,1009 7.497,1010 4.963,1011 5.147,1012 3.389,1013 7.393,1014 4.888,1015 6.537,1016 2.103,1017 8.109,1018 6.18,1019 5.017,1020 5.223,1021 2.882,1022 8.897,1023 4.935,1024 7.892,1025 2.014,1026 9.906,1027 5.85,1028 6.788,1029 7.147,1030 4.669,1031 12.01,1032 6.68,1033 9.273,1034 1.932,1035 11.78,1036 5.46,1037 7.586,1038 7.916,1039 4.955,1040 14.346,1041 7.485,1042 10.687,1043 1.436,1044 13.708,1045 5.331,1046 8.983,1047 9.469,1048 6.232,1049 17.167,1050 8.871,1051 12.124,1052 1.325,1053 15.676,1054 3.992,1055 10.085,1056 10.528,1057 6.85,1058 19.797,1059 9.983,1060 13.581,1061 1.151,1062 17.676,1063 3.781,1064 11.391,1065 11.965,1066 7.921,1067 22.571,1068 11.289,1069 3.879,1070 1.013,1071 19.7,1072 2.982,1073 12.619,1074 13.159,1075 8.685,1076 25.301,1077 12.526,1078 3.309,1079 16.394,1080 21.744,1081 2.486,1082 13.917,1083 14.555,1084 9.664,1085 28.076,1086 13.827,1087 3.033,1088 12.866,1089 23.804,1090 3.93,1091 15.2,1092 15.819,1093 10.495,1094 30.842,1095 15.117,1096 2.995,1097 10.349,1098 25.877,1099 3.88,1100 16.51,1101 17.198,1102 11.429,1103 33.624,1104 16.43,1105 2.795,1106 9.99,1107 27.96,1108 3.345,1109 17.82,1110 18.501,1111 12.293,1112 36.405,1113 17.745,1114 2.458,1115 8.516,1116 30.051,1117 3.084,1118 19.143,1119 19.871,1120 13.206,1121 39.192,1122 19.07,1123 2.289,1124 8.066,1125 32.148,1126 2.922,1127 20.469,1128 21.198,1129 14.085,1130 41.981,1131 20.399,1132 25149,1133 42525,1134 28.145,1135 56.171,1136 70.965,1137 74.158,1138 76.831,1139 70.3,1140 70.408,1141 77.073,1142 17.916,1143 224.727,1144 67.305,1145 5.879,1146 6.229,1147 7.962,1148 5.971,1149 5.879,1150 6.93,1151 4.174,1152 25.493,1153 5.866,1154 31.919,1155 1.543,1156 1.612,1157 1.67,1158 1.528,1159 1.531,1160 1.676,1161 0.389,1162 4.885,1163 1.463,1164 4.046,1165 4.068,1166 6.88,1167 3.929,1168 7.435,1169 3.926,1170 3.932,1171 3.948,1172 3.96,1173 3.858,1174 7.429,1175 3.855,1176 3.799,1177 3.837,1178 3.8,1179 3.682,1180 6.471,1181 3.676,1182 3.764,1183 3.789,1184 3.691,1185 3.581,1186 6.453,1187 3.595,1188 3.624,1189 3.667,1190 3.673,1191 3.48,1192 6.448,1193 3.476,1194 3.518,1195 3.568,1196 3.5,1197 3.365,1198 4.791,1199 3.359,1200 3.408,1201 3.45,1202 3.381,1203 3.192,1204 4.713,1205 3.198,1206 3.336,1207 3.383,1208 3.287,1209 3.122,1210 4.48,1211 3.13,1212 0.106,1213 0.092,1214 0.183,1215 0.106,1216 0.084,1217 4.879,1218 0.085,1219 4.229,1220 0.053,1221 8.419,1222 0.356,1223 4.875,1224 0.084,1225 3.879,1226 3.93,1227 2.443,1228 16.394,1229 3.866,1230 1.951,1231 1.926,1232 2.109,1233 2.11,1234 1.498,1235 2.106,1236 1.91,1237 1.892,1238 2.034,1239 2.008,1240 1.397,1241 2.018,1242 1.792,1243 1.752,1244 1.956,1245 1.935,1246 1.254,1247 1.948,1248 1.697,1249 1.667,1250 1.901,1251 1.91,1252 1.186,1253 1.903,1254 1.61,1255 1.563,1256 1.838,1257 1.787,1258 1.095,1259 1.804,1260 1.507,1261 1.455,1262 1.772,1263 1.702,1264 1.014,1265 1.724,1266 1.357,1267 1.305,1268 1.648,1269 1.616,1270 0.84,1271 1.624,1272 1.299,1273 1.239,1274 1.602,1275 1.551,1276 0.771,1277 1.571,1278 4.533,1280 5.932,1282 7.517,1284 9.198,1286 10.939,1287 3.56,1288 12.962,1293 32.093,1294 1.164,1297 30.724,1299 -4.299,1301 -3.859,1305 52.816,1306 129.982,1307 297.323,1308 438.189,1309 510.718,1310 524.983,1311 530.983,1312 181.042,1313 8.658,1314 140.98,1315 140.98,1316 30,1317 13.319,1318 3.17,1319 2.585,1320 81.551,1321 197,1322 208,1323 0.203,1324 325.391,1325 595.8,1326 785.714,1327 76136,1328 1.1,1329 31.905,1330 0.742,1331 0.646,1332 32.905,1333 27.757,1334 20.003,1335 0.435,1336 0.347,1337 15.003,1338 18.516,1339 14.379,1340 11.85,1341 20.581,1342 15.984,1343 20.199,1344 0.284,1345 0.202,1346 20.941,1347 14.352,1348 16.129,1349 0.173,1350 0.113,1351 16.846,1352 10.508,1353 12.972,1354 0.106,1355 0.062,1356 13.547,1357 7.505,1358 11.306,1359 0.068,1360 0.034,1361 12.055,1362 5.671,1363 0.313,1364 135.419,1365 0.188,1366 36.974,1367 0.582,1368 234,1369 711.252,1370 333.638,1371 683.245,1372 893.21,1373 634,1374 281,1375 607.339,1376 347.253,1377 610.034,1378 910.46,1379 572,1380 9.201}
{0 CHEMBL1258117,1 1.344,2 12.353,3 4.323,4 18.684,5 124.541,6 6.592,7 0.162,8 4.353,9 4.46,10 3.804,11 3.834,12 5.319,13 3.802,14 4.994,15 5.156,16 4.225,17 4.268,18 5.97,19 4.214,20 5.384,21 5.582,22 4.355,23 4.494,24 6.291,25 4.419,26 5.541,27 5.76,28 4.424,29 4.585,30 6.488,31 4.487,32 5.58,33 5.806,34 4.456,35 4.645,36 6.568,37 4.542,38 5.632,39 5.867,40 4.443,41 4.664,42 6.608,43 4.541,44 5.61,45 5.878,46 4.249,47 4.577,48 6.471,49 4.425,50 5.472,51 5.735,52 3.982,53 4.389,54 6.385,55 4.231,56 0.026,57 0.932,58 17.299,59 7.849,60 13.489,61 10.086,62 0.506,63 1.567,64 34.468,65 13.22,66 56.462,67 17.632,68 0.815,69 2.1,70 52.309,71 17.612,72 92.827,73 23.87,74 1.477,75 2.37,76 61.952,77 20.046,78 123.939,79 27.774,80 1.101,81 2.516,82 63.593,83 21.37,84 163.264,85 29.713,86 1.428,87 2.613,88 67.284,89 22.331,90 170.251,91 31.444,92 0.947,93 2.491,94 65.365,95 21.453,96 118.277,97 30.887,98 1.041,99 2.088,100 57.849,101 17.82,102 139.412,103 25.461,104 27,105 53,106 0.213,107 0.48,108 0.698,109 0.839,110 0.867,111 0.872,112 3.561,113 1.028,114 -4.43,115 -4.36,116 -4.11,119 37.5,120 2,121 10,123 1,125 1,127 4,131 1,142 5,143 1,158 2,172 14,174 3,175 15,183 19,188 7,191 1,193 1,196 16,199 6,200 12,208 16,213 8,216 3,218 1,221 16,224 6,225 15,233 16,238 12,241 1,243 3,246 14,250 9,255 1,258 10,263 8,266 1,268 2,271 11,275 1968,276 22.604,277 22.604,278 22.604,279 22.604,280 22.604,281 21.543,282 22.494,283 13.332,284 22.931,285 18.253,286 18.253,287 18.253,288 18.253,289 18.253,290 16.645,291 25.013,292 6.332,293 18.81,294 4.826,295 3.134,296 1.76,297 0.865,298 0.688,299 0.66,300 4.254,305 1,306 897,307 3.808,311 240.195,317 146.578,318 1.785,319 51.496,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 75,331 420,332 4.815,333 4.132,334 8.391,335 4.808,336 3.815,337 3.815,338 2.443,339 16.186,340 3.79,341 3.897,342 3.75,343 6.046,344 3.692,345 2.74,346 3.444,347 2.443,348 8.588,349 2.598,350 3.864,351 3.682,352 5.602,353 3.606,354 2.651,355 3.001,356 1.392,357 7.702,358 2.528,359 3.749,360 2.867,361 5.539,362 3.521,363 2.522,364 2.872,365 0.532,366 7.461,367 2.512,368 3.566,369 2.718,370 5.34,371 3.428,372 2.458,373 2.598,374 0.286,375 6.966,376 2.372,377 3.266,378 2.675,379 5.274,380 3.137,381 2.201,382 2.275,383 0.286,384 6.558,385 2.085,386 3.107,387 2.587,388 5.152,389 3.072,390 2.087,391 2.128,393 6.37,394 2.007,395 3.049,396 2.403,397 4.777,398 2.885,399 1.907,400 2.101,402 5.303,403 1.84,404 2.939,405 2.258,406 4.454,407 2.651,408 1.656,409 2.035,411 4.379,412 1.629,413 2.851,414 1.668,415 3.75,416 2.581,417 1.589,418 1.836,420 3.329,421 1.569,422 2.5,423 1.347,424 3.702,425 2.266,426 1.276,427 1.5,429 2.748,430 1.26,431 2.401,432 1.215,433 3.509,434 2,435 1,436 1.396,438 2.136,439 1,440 1.588,441 1,442 3.402,443 1.55,444 0.574,445 0.577,447 1.401,448 0.556,449 1.512,450 0.921,451 3.247,452 1.422,453 0.431,454 0.457,456 0.991,457 0.426,458 1.437,459 0.768,460 3.235,461 1.263,462 0.39,463 0.397,465 0.583,466 0.335,467 15.833,468 0.466,469 0.975,470 0.029,471 30.25,472 0.89,473 9,474 0.265,475 21.25,476 0.625,477 46.998,478 1.382,479 40.567,480 0.563,481 23.437,482 0.689,483 5.13,484 0.151,485 11.153,486 0.328,487 0.126,488 0.063,489 0.221,493 0.783,494 1.348,495 0.889,496 1.32,497 0.689,498 1.152,499 0.831,500 1.237,501 0.93,502 1.22,503 0.607,504 1.112,505 1.333,506 1.078,507 1.119,508 1.066,509 0.904,510 1.051,511 1.125,512 0.967,513 1.059,514 0.969,515 0.905,516 0.996,517 1.065,518 1.032,519 1.02,520 1.028,521 1.063,522 1.017,523 0.928,524 1.029,525 1.016,526 1.034,527 0.83,528 1.042,529 0.936,530 0.979,531 0.956,532 0.979,533 0.923,534 0.972,535 1.307,536 0.891,537 1.143,538 0.899,539 1.637,540 0.976,541 9.5,542 0.198,543 3.556,544 3.375,545 2.249,546 1.708,547 1.095,548 0.62,549 0.464,550 0.305,551 15503,552 37096,553 2.045,554 52.8,555 14,556 11,559 1,560 4,561 4,562 2,563 2,564 1.765,565 1.907,566 3.513,567 -0.392,574 96.78,575 1.344,576 3.036,577 4.41,578 5.305,579 5.482,580 5.51,581 3.033,582 4.712,583 5.053,584 3.714,585 2083.5,586 8.892,587 30821.2,592 444.235,593 1.567,594 5.003,595 0.257,596 0.006,597 0.067,598 0.058,599 0.037,600 0.027,601 0.018,602 0.013,603 0.013,604 0.009,605 0.506,606 0.17,607 0.88,608 0.706,609 180.013,610 -0.023,611 -0.055,612 0.056,613 -0.041,614 -0.048,615 0.015,616 0.15,617 -0.094,618 0.056,619 -0.089,620 0.091,621 -0.043,622 -0.126,623 -0.042,624 -0.092,625 -0.044,626 -0.087,627 -0.059,628 0.075,629 0.024,630 -0.033,631 0.012,632 0.012,633 -0.026,634 0.001,635 -0.029,636 -0.019,637 -0.03,638 0.053,639 -0.029,640 0.11,641 -0.043,642 -0.021,643 -0.051,644 0.119,645 -0.061,646 -0.022,647 -0.037,648 0.017,649 -0.03,650 0.006,651 -0.003,652 -0.179,653 0.027,654 -0.132,655 0.017,656 -0.204,657 -0.039,658 2.224,659 5.625,660 0.706,661 36.09,662 1.001,663 1.13,664 3.199,665 10.233,666 0.62,667 3.638,668 3.989,669 4.22,670 4.489,671 4.736,672 4.852,673 5.011,674 5.136,675 5.273,676 5.438,677 7.107,678 0.584,679 474.65,680 3.638,681 5.198,682 6.043,683 6.94,684 7.812,685 8.718,686 9.606,687 10.519,688 11.418,689 12.338,706 5,711 1,713 6,732 72,734 8,735 1,736 37,738 75,739 27,740 6,741 1,742 5,745 4,746 7,751 3,752 1,753 1,754 11,757 15,759 8,760 19,763 2,768 2,772 2,778 38,779 7,780 1,781 7,792 0.5,793 7,794 1,809 3,815 1,825 2,833 1,834 2,835 2,839 2,843 34,850 1,851 11,854 4,856 4,858 2,867 9.7,868 1,870 2,871 2,872 2,874 17.833,875 12.95,876 7.396,877 4.704,878 0.867,879 1.106,880 0.897,881 8.216,882 9.07,883 3.761,884 4.197,885 4.497,886 4.865,887 5.181,888 5.145,889 5.286,890 5.412,891 5.541,892 5.767,893 1,894 58,895 12.882,897 5.701,898 7.775,899 24.81,901 21.397,903 2.275,904 77.333,908 435.531,909 107.945,912 136.973,915 107.945,916 572.504,918 17.65,919 25.345,920 90.065,921 86.672,922 25.185,924 435.531,926 435.531,927 107.945,928 136.973,931 364.904,932 142.916,933 64.683,935 42.996,936 64.949,939 435.531,940 136.973,941 107.945,944 435.531,945 42.914,946 65.032,948 136.973,949 435.531,950 136.973,951 107.945,953 0.585,954 0.332,955 0.178,956 0.1,957 25,958 11,959 0.08,960 6,961 4,962 1.25,963 4.269,964 327.809,965 0.333,966 22,967 166.974,973 25.469,974 10.969,975 6.342,977 136.973,978 10.449,983 1.328,985 42.683,986 680.449,987 42,992 25.082,996 -0.945,998 72.08,999 81.355,1000 0.218,1001 0.492,1002 0.715,1003 0.86,1004 0.889,1005 0.893,1006 5.059,1007 1.907,1008 6.08,1009 6.37,1010 4.673,1011 4.883,1012 3.239,1013 6.971,1014 4.615,1015 6.229,1016 1.656,1017 7.697,1018 5.303,1019 4.511,1020 4.705,1021 2.882,1022 8.421,1023 4.451,1024 7.54,1025 1.589,1026 9.449,1027 4.379,1028 6.402,1029 6.781,1030 4.603,1031 11.546,1032 6.303,1033 8.882,1034 1.276,1035 11.3,1036 3.329,1037 7.074,1038 7.341,1039 4.955,1040 13.951,1041 6.99,1042 10.265,1043 1,1044 13.226,1045 2.748,1046 8.534,1047 8.995,1048 6.207,1049 16.804,1050 8.429,1051 11.678,1052 0.574,1053 15.209,1054 2.136,1055 9.597,1056 9.894,1057 6.85,1058 19.496,1059 9.507,1060 13.12,1061 0.431,1062 17.235,1063 1.401,1064 10.939,1065 11.392,1066 7.911,1067 22.297,1068 10.841,1069 3.815,1070 0.39,1071 19.293,1072 0.991,1073 12.169,1074 12.462,1075 8.685,1076 25.059,1077 12.081,1078 2.74,1079 16.186,1080 21.372,1081 0.583,1082 13.492,1083 13.889,1084 9.66,1085 27.847,1086 13.4,1087 2.651,1088 8.588,1089 23.467,1090 3.815,1091 14.788,1092 15.054,1093 10.495,1094 30.626,1095 14.698,1096 2.522,1097 7.702,1098 25.573,1099 3.444,1100 16.114,1101 16.443,1102 11.428,1103 33.411,1104 16.021,1105 2.458,1106 7.461,1107 27.685,1108 3.001,1109 17.435,1110 17.667,1111 12.293,1112 36.194,1113 17.34,1114 2.201,1115 6.966,1116 29.802,1117 2.872,1118 18.766,1119 19.034,1120 13.206,1121 38.978,1122 18.667,1123 2.087,1124 6.558,1125 31.923,1126 2.598,1127 20.098,1128 20.295,1129 14.085,1130 41.762,1131 19.994,1132 14886,1133 23218,1134 24.326,1135 44.648,1136 55.027,1137 57.346,1138 57.294,1139 54.575,1140 54.596,1141 60.864,1142 14.761,1143 161.402,1144 53.013,1145 5.815,1146 6.132,1147 8.193,1148 5.91,1149 5.815,1150 6.815,1151 4.174,1152 25.008,1153 5.79,1154 17.028,1155 1.487,1156 1.55,1157 1.548,1158 1.475,1159 1.476,1160 1.645,1161 0.399,1162 4.362,1163 1.433,1164 4.015,1165 4.042,1166 3.927,1167 3.893,1168 7.435,1169 3.891,1170 3.913,1171 3.945,1172 3.833,1173 3.83,1174 7.429,1175 3.829,1176 3.739,1177 3.784,1178 3.645,1179 3.608,1180 6.456,1181 3.6,1182 3.732,1183 3.753,1184 3.62,1185 3.534,1186 4.817,1187 3.553,1188 3.578,1189 3.626,1190 3.448,1191 3.431,1192 4.747,1193 3.424,1194 3.468,1195 3.527,1196 3.312,1197 3.319,1198 4.416,1199 3.309,1200 3.279,1201 3.312,1202 3.163,1203 3.067,1204 4.389,1205 3.064,1206 3.182,1207 3.243,1208 3.014,1209 2.977,1210 4.216,1211 2.991,1212 0.13,1213 0.112,1214 0.227,1215 0.13,1216 0.103,1217 4.815,1218 0.103,1219 4.132,1220 0.066,1221 8.391,1222 0.437,1223 4.808,1224 0.102,1225 3.815,1226 3.815,1227 2.443,1228 16.186,1229 3.79,1230 1.938,1231 1.907,1232 2.103,1233 2.096,1234 1.478,1235 2.095,1236 1.915,1237 1.886,1238 2.069,1239 2.013,1240 1.376,1241 2.034,1242 1.736,1243 1.688,1244 1.953,1245 1.896,1246 1.24,1247 1.915,1248 1.654,1249 1.626,1250 1.851,1251 1.88,1252 1.143,1253 1.866,1254 1.569,1255 1.519,1256 1.808,1257 1.751,1258 1.079,1259 1.77,1260 1.47,1261 1.412,1262 1.738,1263 1.663,1264 1.011,1265 1.69,1266 1.232,1267 1.172,1268 1.528,1269 1.476,1270 0.814,1271 1.477,1272 1.151,1273 1.099,1274 1.462,1275 1.402,1276 0.675,1277 1.423,1278 4.317,1280 5.659,1282 7.192,1284 8.827,1286 10.526,1288 4.262,1293 9.56,1294 6.063,1297 24.395,1299 -1.651,1301 -1.211,1305 42.013,1306 96.78,1307 218.609,1308 317.548,1309 381.97,1310 394.725,1311 396.725,1312 98.985,1313 8.203,1314 91.29,1315 91.29,1316 30,1317 12.851,1318 3.17,1319 2.585,1320 56.659,1321 146,1322 176,1323 0.192,1324 253.527,1325 463.65,1326 610.365,1327 46310,1329 24.184,1330 0.711,1331 0.599,1332 24.184,1333 20.371,1334 16.283,1335 0.44,1336 0.343,1337 12.509,1338 15.589,1339 12.21,1340 9.992,1341 16.283,1342 12.678,1343 15.365,1344 0.29,1345 0.201,1346 15.365,1347 10.641,1348 12.038,1349 0.18,1350 0.112,1351 12.038,1352 7.532,1353 10.148,1354 0.115,1355 0.062,1356 10.148,1357 5.493,1358 8.337,1359 0.074,1360 0.038,1361 8.337,1362 4.239,1363 0.298,1364 102.715,1365 0.203,1366 31.14,1367 0.538,1368 180,1369 526.563,1370 204.468,1371 476.87,1372 634.75,1373 448,1374 210,1375 448.242,1376 232.702,1377 437.465,1378 649,1379 414,1380 7.097}
{0 CHEMBL1258348,1 1.371,2 12.457,3 4.055,4 16.444,5 126.235,6 6.721,7 0.158,8 4.374,9 4.476,10 3.834,11 3.84,12 5.379,13 3.816,14 5.006,15 5.163,16 4.262,17 4.275,18 6.02,19 4.231,20 5.399,21 5.591,22 4.391,23 4.505,24 6.346,25 4.439,26 5.559,27 5.776,28 4.457,29 4.597,30 6.528,31 4.506,32 5.596,33 5.817,34 4.476,35 4.655,36 6.603,37 4.557,38 5.649,39 5.883,40 4.461,41 4.673,42 6.636,43 4.554,44 5.624,45 5.89,46 4.271,47 4.585,48 6.502,49 4.438,50 5.488,51 5.749,52 4.011,53 4.399,54 6.415,55 4.247,56 0.076,57 0.943,58 17.398,59 7.886,60 17.174,61 10.005,62 0.561,63 1.578,64 34.524,65 13.255,66 63.614,67 17.568,68 0.961,69 2.114,70 53.088,71 17.656,72 108.367,73 23.828,74 1.612,75 2.39,76 63.225,77 20.193,78 139.058,79 28.026,80 1.279,81 2.53,82 64.8,83 21.45,84 183.662,85 29.821,86 1.59,87 2.626,88 68.689,89 22.436,90 188.896,91 31.704,92 1.129,93 2.494,94 66.878,95 21.473,96 137.033,97 31.077,98 1.215,99 2.092,100 59.38,101 17.85,102 161.965,103 25.636,104 38,105 55,106 0.216,107 0.5,108 0.725,109 0.865,110 0.887,111 0.891,112 3.589,113 1.012,114 -3.95,115 -3.9,116 -3.7,119 37,120 2,121 10,123 1,125 1,127 4,131 1,142 4,143 1,144 1,158 2,172 12,174 3,175 15,180 2,183 17,188 7,191 1,193 3,196 14,199 6,200 12,205 2,208 15,213 8,216 3,218 2,221 15,224 6,225 15,230 1,233 15,238 12,241 1,243 4,246 14,250 8,255 1,258 9,263 8,266 2,268 3,271 11,275 2128,276 23.051,277 23.051,278 23.051,279 23.051,280 23.051,281 21.966,282 24.651,283 13.452,284 23.419,285 18.736,286 18.736,287 18.736,288 18.736,289 18.736,290 17.056,291 27.484,292 6.381,293 19.371,294 4.819,295 3.019,296 1.593,297 0.706,298 0.569,299 0.541,300 4.28,305 1,306 928,307 3.873,311 249.717,317 153.012,318 1.842,319 57.798,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 78,331 436,332 4.815,333 4.132,334 8.391,335 4.808,336 3.815,337 3.815,338 2.443,339 16.186,340 3.79,341 4.042,342 3.75,343 6.046,344 3.692,345 2.74,346 3.647,347 2.443,348 8.588,349 2.619,350 3.864,351 3.682,352 5.602,353 3.64,354 2.658,355 3.001,356 1.392,357 7.702,358 2.595,359 3.749,360 2.871,361 5.539,362 3.604,363 2.646,364 2.872,365 0.532,366 7.461,367 2.519,368 3.567,369 2.852,370 5.502,371 3.429,372 2.459,373 2.601,374 0.286,375 7.438,376 2.372,377 3.316,378 2.675,379 5.274,380 3.143,381 2.205,382 2.556,383 0.286,384 6.559,385 2.092,386 3.263,387 2.587,388 5.152,389 3.074,390 2.092,391 2.274,393 6.371,394 2.008,395 3.105,396 2.405,397 4.778,398 2.974,399 2.005,400 2.109,402 5.329,403 1.933,404 3.042,405 2.325,406 4.75,407 2.876,408 1.901,409 2.046,411 5.296,412 1.829,413 2.853,414 2.253,415 4.454,416 2.643,417 1.65,418 1.838,420 4.379,421 1.615,422 2.683,423 1.468,424 3.728,425 2.371,426 1.388,427 1.761,429 3.001,430 1.358,431 2.404,432 1.224,433 3.626,434 2.164,435 1.17,436 1.398,438 2.564,439 1.161,440 1.588,441 1.215,442 3.476,443 1.55,444 0.574,445 0.577,447 1.401,448 0.556,449 1.512,450 0.921,451 3.402,452 1.424,453 0.433,454 0.458,456 1.014,457 0.428,458 1.437,459 0.768,460 3.262,461 1.263,462 0.39,463 0.397,465 0.583,466 0.335,467 16.167,468 0.462,469 1.081,470 0.031,471 31.5,472 0.9,473 9.5,474 0.271,475 22,476 0.629,477 48.335,478 1.381,479 42.033,480 0.576,481 25.38,482 0.725,483 5.37,484 0.153,485 11.306,486 0.323,487 0.144,488 0.062,489 0.247,493 0.821,494 1.338,495 0.882,496 1.309,497 0.747,498 1.137,499 0.801,500 1.25,501 0.898,502 1.231,503 0.578,504 1.107,505 1.284,506 1.094,507 1.118,508 1.082,509 0.885,510 1.065,511 1.056,512 0.974,513 1.036,514 0.977,515 0.835,516 0.998,517 1.031,518 1.042,519 1.03,520 1.041,521 1.008,522 1.037,523 0.881,524 1.027,525 1.005,526 1.035,527 0.775,528 1.047,529 0.892,530 0.982,531 0.95,532 0.984,533 0.857,534 0.981,535 1.231,536 0.894,537 1.133,538 0.904,539 1.48,540 0.983,541 10.5,542 0.248,543 3.778,544 3.688,545 2.44,546 1.764,547 1.136,548 0.62,549 0.513,550 0.305,551 16836,552 43781,553 2.027,554 52.1,555 14,556 10,559 2,560 4,561 4,562 2,563 2,564 1.771,565 1.875,566 3.543,567 0.162,574 100.054,575 1.371,576 3.171,577 4.596,578 5.484,579 5.621,580 5.649,581 3.055,582 4.708,583 5.096,584 3.761,585 2237.84,586 8.973,587 34043.1,592 451.857,593 1.637,594 5.037,595 0.276,596 0.007,597 0.069,598 0.061,599 0.039,600 0.028,601 0.019,602 0.012,603 0.014,604 0.009,605 0.534,606 0.33,607 0.88,608 0.729,609 187.483,610 -0.048,611 -0.034,612 0.044,613 -0.021,614 -0.064,615 0.025,616 0.127,617 -0.094,618 0.067,619 -0.087,620 0.094,621 -0.032,622 -0.139,623 -0.049,624 -0.105,625 -0.051,626 -0.088,627 -0.068,628 0.056,629 0.021,630 -0.026,631 0.011,632 0.008,633 -0.021,634 -0.021,635 -0.034,636 -0.041,637 -0.036,638 0.024,639 -0.042,640 0.088,641 -0.04,642 -0.023,643 -0.047,644 0.093,645 -0.058,646 -0.025,647 -0.037,648 0.015,649 -0.03,651 -0.003,652 -0.173,653 0.024,654 -0.13,655 0.016,656 -0.195,657 -0.038,658 2.243,659 5.632,660 0.686,661 37.931,662 1.006,663 1.131,664 2.719,665 7.39,666 0.618,667 3.664,668 4.025,669 4.248,670 4.522,671 4.762,672 4.883,673 5.024,674 5.147,675 5.288,676 5.451,677 7.348,678 0.585,679 490.65,680 3.664,681 5.231,682 6.075,683 6.976,684 7.847,685 8.755,686 9.64,687 10.554,688 11.451,689 12.37,706 4,711 2,713 6,729 1,732 73,734 8,735 1,736 38,738 76,739 27,740 6,741 2,742 4,745 4,746 7,751 3,752 1,753 1,754 11,757 15,759 8,760 19,763 2,768 2,772 2,778 38,779 8,780 2,781 8,792 0.5,793 8,794 1,809 3,815 1,825 2,833 1,834 2,835 2,839 2,843 35,850 2,851 11,854 4,856 4,858 2,867 11,868 1,869 1,870 2,871 2,872 2,874 18.667,875 13.067,876 7.563,877 4.699,878 0.915,879 1.11,880 0.884,881 8.421,882 9.195,883 3.784,884 4.241,885 4.546,886 4.932,887 5.249,888 5.268,889 5.322,890 5.444,891 5.577,892 5.796,893 1,894 60,895 13.255,897 5.903,898 7.871,899 25.286,901 21.808,903 2.371,904 83,908 423.76,909 98.469,912 179.656,915 98.469,916 603.416,918 17.65,919 25.345,920 80.588,921 129.356,922 25.185,924 423.76,926 423.76,927 98.469,928 179.656,931 353.133,932 185.6,933 64.683,935 42.996,936 55.473,939 423.76,940 179.656,941 98.469,944 423.76,945 42.914,946 55.555,948 179.656,949 423.76,950 179.656,951 98.469,953 0.589,954 0.333,955 0.178,956 0.1,957 26,958 12,959 0.079,960 6,961 4,962 1.25,963 4.323,964 340.528,965 0.333,966 22,967 177.525,973 26.402,974 11.163,975 6.564,977 179.656,978 7.312,983 1.369,985 85.367,986 701.885,987 43,992 25.094,996 -0.986,998 73.407,999 82.564,1000 0.221,1001 0.512,1002 0.743,1003 0.886,1004 0.908,1005 0.913,1006 5.091,1007 2.005,1008 6.12,1009 6.371,1010 4.71,1011 4.927,1012 3.239,1013 7.011,1014 4.646,1015 6.271,1016 1.901,1017 7.738,1018 5.329,1019 4.575,1020 4.82,1021 2.882,1022 8.445,1023 4.506,1024 7.59,1025 1.65,1026 9.488,1027 5.296,1028 6.441,1029 6.86,1030 4.603,1031 11.565,1032 6.336,1033 8.936,1034 1.388,1035 11.333,1036 4.379,1037 7.116,1038 7.474,1039 4.955,1040 13.958,1041 7.024,1042 10.321,1043 1.17,1044 13.252,1045 3.001,1046 8.564,1047 9.105,1048 6.207,1049 16.808,1050 8.452,1051 11.735,1052 0.574,1053 15.228,1054 2.564,1055 9.622,1056 10.049,1057 6.85,1058 19.498,1059 9.527,1060 13.174,1061 0.433,1062 17.249,1063 1.401,1064 10.958,1065 11.531,1066 7.911,1067 22.298,1068 10.856,1069 3.815,1070 0.39,1071 19.302,1072 1.014,1073 12.184,1074 12.638,1075 8.685,1076 25.059,1077 12.091,1078 2.74,1079 16.186,1080 21.379,1081 0.583,1082 13.503,1083 14.054,1084 9.66,1085 27.848,1086 13.408,1087 2.658,1088 8.588,1089 23.472,1090 3.815,1091 14.796,1092 15.248,1093 10.495,1094 30.626,1095 14.704,1096 2.646,1097 7.702,1098 25.575,1099 3.647,1100 16.12,1101 16.629,1102 11.428,1103 33.411,1104 16.025,1105 2.459,1106 7.461,1107 27.687,1108 3.001,1109 17.44,1110 17.873,1111 12.293,1112 36.194,1113 17.343,1114 2.205,1115 7.438,1116 29.803,1117 2.872,1118 18.77,1119 19.235,1120 13.206,1121 38.978,1122 18.669,1123 2.092,1124 6.559,1125 31.923,1126 2.601,1127 20.1,1128 20.509,1129 14.085,1130 41.762,1131 19.996,1132 16219,1133 26311,1134 24.731,1135 45.103,1136 56.532,1137 59.194,1138 59.464,1139 56.257,1140 56.253,1141 62.698,1142 14.761,1143 167.743,1144 54.417,1145 5.815,1146 6.132,1147 8.075,1148 5.91,1149 5.815,1150 6.815,1151 4.174,1152 25.008,1153 5.79,1154 19.344,1155 1.488,1156 1.558,1157 1.565,1158 1.48,1159 1.48,1160 1.65,1161 0.388,1162 4.414,1163 1.432,1164 4.016,1165 4.042,1166 3.93,1167 3.892,1168 7.435,1169 3.892,1170 3.918,1171 3.945,1172 3.848,1173 3.828,1174 7.429,1175 3.831,1176 3.74,1177 3.784,1178 3.645,1179 3.607,1180 6.471,1181 3.6,1182 3.732,1183 3.753,1184 3.62,1185 3.534,1186 6.456,1187 3.553,1188 3.58,1189 3.626,1190 3.451,1191 3.43,1192 4.813,1193 3.425,1194 3.469,1195 3.527,1196 3.315,1197 3.319,1198 4.624,1199 3.309,1200 3.281,1201 3.313,1202 3.166,1203 3.068,1204 4.416,1205 3.066,1206 3.185,1207 3.243,1208 3.022,1209 2.977,1210 4.389,1211 2.991,1212 0.127,1213 0.109,1214 0.221,1215 0.127,1216 0.1,1217 4.815,1218 0.1,1219 4.132,1220 0.064,1221 8.391,1222 0.426,1223 4.808,1224 0.1,1225 3.815,1226 3.815,1227 2.443,1228 16.186,1229 3.79,1230 1.935,1231 1.906,1232 2.102,1233 2.096,1234 1.478,1235 2.095,1236 1.911,1237 1.884,1238 2.057,1239 2.013,1240 1.375,1241 2.029,1242 1.735,1243 1.688,1244 1.945,1245 1.897,1246 1.239,1247 1.914,1248 1.654,1249 1.626,1250 1.851,1251 1.88,1252 1.143,1253 1.866,1254 1.568,1255 1.519,1256 1.803,1257 1.751,1258 1.075,1259 1.769,1260 1.469,1261 1.412,1262 1.737,1263 1.663,1264 1.008,1265 1.69,1266 1.231,1267 1.173,1268 1.523,1269 1.477,1270 0.807,1271 1.477,1272 1.151,1273 1.1,1274 1.462,1275 1.403,1276 0.675,1277 1.423,1278 4.344,1280 5.694,1282 7.229,1284 8.865,1286 10.564,1288 4.219,1293 19.241,1294 5.474,1297 24.336,1299 -1.783,1301 -1.277,1305 42.728,1306 100.054,1307 231.451,1308 335.535,1309 400.347,1310 410.347,1311 412.347,1312 108.646,1313 8.28,1314 111.52,1315 111.52,1316 30,1317 12.884,1318 3.17,1319 2.585,1320 59.306,1321 156,1322 172,1323 0.188,1324 257.523,1325 472.44,1326 620.116,1327 51395,1329 25.054,1330 0.716,1331 0.593,1332 25.054,1333 20.741,1334 16.677,1335 0.439,1336 0.337,1337 12.628,1338 15.911,1339 12.336,1340 10.081,1341 16.677,1342 12.813,1343 15.999,1344 0.291,1345 0.197,1346 15.999,1347 10.825,1348 12.358,1349 0.179,1350 0.11,1351 12.358,1352 7.599,1353 10.494,1354 0.115,1355 0.061,1356 10.494,1357 5.56,1358 8.503,1359 0.073,1360 0.037,1361 8.503,1362 4.264,1363 0.293,1364 105.655,1365 0.201,1366 31.925,1367 0.523,1368 186,1369 566.713,1370 212.571,1371 513.282,1372 678.44,1373 480,1374 217,1375 477.273,1376 241.363,1377 465.775,1378 689.35,1379 440,1380 7.409}
{0 CHEMBL1258349,1 1.367,2 12.375,3 3.471,4 12.046,5 115.782,6 6.767,7 0.171,8 4.276,9 4.377,10 3.75,11 3.755,12 5.252,13 3.732,14 4.914,15 5.067,16 4.146,17 4.172,18 5.921,19 4.123,20 5.299,21 5.509,22 4.212,23 4.358,24 6.192,25 4.282,26 5.343,27 5.552,28 4.315,29 4.415,30 6.334,31 4.331,32 5.421,33 5.63,34 4.331,35 4.478,36 6.468,37 4.393,38 5.472,39 5.706,40 4.334,41 4.489,42 6.49,43 4.382,44 5.409,45 5.657,46 4.043,47 4.383,48 6.288,49 4.24,50 5.262,51 5.538,52 3.834,53 4.201,54 6.099,55 4.042,56 0.047,57 0.855,58 15.541,59 7.164,60 12.454,61 9.05,62 0.527,63 1.433,64 31.386,65 12.032,66 54.443,67 15.846,68 0.989,69 1.865,70 48.581,71 15.605,72 96.087,73 21.076,74 1.264,75 1.982,76 50.468,77 16.758,78 106.478,79 23.01,80 1.161,81 2.124,82 54.623,83 17.871,84 157.677,85 24.361,86 1.368,87 2.206,88 57.668,89 18.809,90 159.254,91 26.41,92 1.04,93 2.034,94 54.274,95 17.383,96 116.288,97 24.526,98 0.761,99 1.734,100 46.801,101 14.966,102 95.29,103 21.63,104 11,105 48,106 0.22,107 0.479,108 0.671,109 0.84,110 0.89,111 0.895,112 3.502,113 1.022,114 -4.02,115 -3.97,116 -3.76,119 37.9,121 11,125 1,127 4,131 1,142 5,143 1,158 2,172 12,174 3,175 15,183 16,188 3,191 1,193 1,196 12,199 6,200 12,208 16,213 6,216 3,218 1,221 10,224 6,225 15,233 14,238 6,241 1,243 3,246 10,250 9,255 1,258 8,263 8,266 1,268 2,271 9,275 1648,276 21.748,277 21.748,278 21.748,279 21.748,280 21.748,281 20.687,282 22.494,283 13.089,284 22.076,285 17.304,286 17.304,287 17.304,288 17.304,289 17.304,290 15.697,291 25.013,292 6.237,293 17.863,294 4.678,295 3.069,296 1.877,297 0.83,298 0.515,299 0.485,300 4.202,304 1,305 1,306 851,307 3.391,311 228.457,317 137.984,318 1.875,319 49.017,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 71,331 396,332 4.417,333 3.899,334 7.264,335 4.399,336 3.416,337 3.444,338 2.443,339 12.993,340 3.359,341 3.897,342 3.735,343 5.62,344 3.637,345 2.688,346 3.42,347 2.443,348 7.778,349 2.537,350 3.841,351 3.682,352 5.575,353 3.565,354 2.61,355 2.981,356 1.392,357 7.658,358 2.525,359 3.733,360 2.777,361 5.34,362 3.52,363 2.522,364 2.867,365 0.532,366 6.966,367 2.473,368 3.397,369 2.716,370 5.293,371 3.283,372 2.302,373 2.42,374 0.286,375 6.787,376 2.247,377 3.229,378 2.645,379 5.151,380 3.119,381 2.192,382 2.233,383 0.286,384 6.369,385 2.014,386 3.049,387 2.419,388 4.774,389 2.899,390 1.917,391 2.12,393 5.302,394 1.862,395 2.941,396 2.381,397 4.44,398 2.651,399 1.657,400 2.036,402 4.373,403 1.629,404 2.86,405 1.669,406 3.819,407 2.581,408 1.589,409 1.846,411 3.33,412 1.569,413 2.5,414 1.357,415 3.734,416 2.268,417 1.279,418 1.5,420 2.765,421 1.262,422 2.404,423 1.337,424 3.519,425 2.195,426 1.213,427 1.398,429 2.721,430 1.184,431 2.225,432 1.215,433 3.441,434 2,435 1,436 1.221,438 2.136,439 1,440 1.517,441 1,442 3.247,443 1.424,444 0.435,445 0.461,447 0.996,448 0.429,449 1.44,450 0.919,451 3.236,452 1.27,453 0.403,454 0.408,456 0.596,457 0.344,458 1,459 0.754,460 2.992,461 0.97,467 14.833,468 0.464,469 0.725,470 0.023,471 29.25,472 0.914,473 9,474 0.281,475 20.25,476 0.633,477 39.641,478 1.239,479 37.967,480 0.575,481 22.139,482 0.692,483 5.141,484 0.161,485 10.392,486 0.325,487 0.067,488 0.034,489 0.236,493 0.785,494 1.336,495 0.858,496 1.306,497 0.668,498 1.128,499 0.843,500 1.311,501 0.976,502 1.296,503 0.61,504 1.184,505 1.377,506 0.933,507 1.113,508 0.926,509 0.929,510 0.956,511 0.941,512 1.031,513 0.983,514 1.031,515 0.897,516 1.018,517 1.186,518 1.032,519 1.09,520 1.029,521 1.182,522 1.037,523 0.863,524 0.993,525 0.937,526 0.994,527 0.835,528 0.983,529 1.117,530 0.984,531 1.116,532 0.994,533 1.129,534 1.047,535 0.951,536 0.906,537 0.955,538 0.91,539 1.094,540 0.93,541 8,542 0.132,543 1.778,544 2.875,545 1.449,546 1.306,547 0.687,548 0.495,549 0.349,550 0.185,551 13953,552 34594,553 2.093,554 51.5,555 8,556 11,559 1,560 4,561 4,562 4,563 2,564 1.747,565 1.99,566 3.534,567 -0.372,569 1,574 90.208,575 1.367,576 2.975,577 4.168,578 5.215,579 5.529,580 5.56,581 3.052,582 4.5,583 4.967,584 3.727,585 1848.58,586 8.706,587 26675.2,592 398.93,593 1.355,594 4.94,595 0.229,596 0.005,597 0.037,598 0.058,599 0.027,600 0.024,601 0.013,602 0.013,603 0.011,604 0.006,605 0.421,606 0.33,607 1,608 0.633,609 167.454,610 -0.03,611 -0.059,612 0.057,613 -0.044,614 -0.035,615 0.016,616 0.135,617 -0.178,618 -0.007,619 -0.176,620 0.083,621 -0.13,622 -0.161,623 0.058,624 -0.086,625 0.053,626 -0.108,627 0.008,628 0.151,629 -0.025,630 0.019,631 -0.032,632 0.049,633 -0.035,634 -0.041,635 -0.033,636 -0.078,637 -0.039,638 0.021,639 -0.063,640 0.15,641 -0.022,642 0.055,643 -0.023,644 0.156,645 -0.007,646 -0.104,647 -0.035,648 -0.125,649 -0.044,650 -0.095,651 -0.082,652 -0.068,653 0.013,654 0.018,655 0.02,656 -0.082,657 0.035,658 2.212,659 5.464,660 0.75,661 33.625,662 1.005,663 1.129,664 2.793,665 7.803,666 0.623,667 3.584,668 3.892,669 4.094,670 4.394,671 4.585,672 4.718,673 4.82,674 5.037,675 5.118,676 5.308,677 7.14,678 0.59,679 446.59,680 3.584,681 5.118,682 5.943,683 6.821,684 7.662,685 8.55,686 9.399,687 10.296,688 11.15,689 12.053,706 5,711 1,713 6,732 66,734 8,735 1,736 35,738 69,739 25,740 6,741 1,742 5,745 4,746 7,751 1,754 12,757 16,759 8,760 17,763 2,768 2,772 2,778 34,779 7,780 1,781 7,792 0.5,793 7,794 1,809 3,815 1,825 2,833 1,834 2,835 2,843 32,850 1,851 12,854 4,856 4,858 1,867 10.6,868 1,870 2,871 2,872 2,874 16.083,875 11.2,876 7.083,877 4.392,878 0.892,879 1.111,880 0.912,881 8.088,882 8.961,883 3.714,884 4.119,885 4.404,886 4.801,887 5.087,888 5.047,889 5.109,890 5.338,891 5.415,892 5.668,893 1,894 50,895 12.112,897 5.339,898 7.799,899 23.318,901 19.998,903 2.299,904 73.583,908 388.446,909 92.829,912 136.973,915 92.829,916 525.419,919 27.88,920 90.065,921 86.672,922 25.185,924 388.446,926 388.446,927 92.829,928 136.973,931 294.278,932 166.458,933 64.683,935 27.88,936 64.949,939 388.446,940 136.973,941 92.829,944 388.446,945 45.448,946 47.381,948 136.973,949 388.446,950 136.973,951 92.829,953 0.571,954 0.319,955 0.18,956 0.097,957 22,958 9,959 0.087,960 6,961 4,962 1.25,963 4.25,964 293.635,965 0.333,966 22,967 156,973 23.532,974 10.998,975 6.696,977 136.973,978 10.438,983 1.332,985 42.683,986 618.248,987 40,992 24.759,996 -0.932,998 66.312,999 74.524,1000 0.226,1001 0.492,1002 0.689,1003 0.863,1004 0.915,1005 0.92,1006 4.98,1007 1.657,1008 5.932,1009 5.302,1010 4.575,1011 4.804,1012 3.239,1013 6.732,1014 4.511,1015 6.112,1016 1.589,1017 7.476,1018 4.373,1019 4.205,1020 4.46,1021 2.882,1022 7.849,1023 4.123,1024 7.384,1025 1.279,1026 9.128,1027 3.33,1028 6.192,1029 6.643,1030 4.603,1031 10.882,1032 6.069,1033 8.677,1034 1.213,1035 10.852,1036 2.765,1037 6.635,1038 7.024,1039 4.955,1040 12.933,1041 6.501,1042 10.003,1043 1,1044 12.63,1045 2.721,1046 8.116,1047 8.753,1048 6.207,1049 15.59,1050 7.953,1051 11.351,1052 0.435,1053 14.45,1054 2.136,1055 8.962,1056 9.465,1057 6.85,1058 18,1059 8.793,1060 12.717,1061 0.403,1062 16.304,1063 0.996,1064 10.252,1065 11.012,1066 7.911,1067 20.578,1068 10.062,1069 3.416,1071 18.185,1072 0.596,1073 11.298,1074 11.893,1075 8.685,1076 23.098,1077 11.102,1078 2.688,1079 12.993,1080 20.088,1082 12.525,1083 13.349,1084 9.66,1085 25.663,1086 12.313,1087 2.61,1088 7.778,1089 22.009,1090 3.444,1091 13.666,1092 14.327,1093 10.495,1094 28.215,1095 13.446,1096 2.522,1097 7.658,1098 23.945,1099 3.42,1100 14.878,1101 15.73,1102 11.428,1103 30.779,1104 14.645,1105 2.302,1106 6.966,1107 25.891,1108 2.981,1109 16.064,1110 16.771,1111 12.293,1112 33.34,1113 15.819,1114 2.192,1115 6.787,1116 27.846,1117 2.867,1118 17.277,1119 18.136,1120 13.206,1121 35.904,1122 17.019,1123 1.917,1124 6.369,1125 29.808,1126 2.42,1127 18.483,1128 19.222,1129 14.085,1130 38.467,1131 18.213,1132 13280,1133 21098,1134 23.633,1135 41.125,1136 50.901,1137 53.03,1138 52.912,1139 50.425,1140 50.445,1141 56.712,1142 14.761,1143 141.539,1144 48.865,1145 5.417,1146 5.899,1147 7.066,1148 5.501,1149 5.416,1150 6.444,1151 4.174,1152 19.79,1153 5.359,1154 12.951,1155 1.454,1156 1.515,1157 1.512,1158 1.441,1159 1.441,1160 1.62,1161 0.422,1162 4.044,1163 1.396,1164 3.99,1165 4.018,1166 3.898,1167 3.882,1168 7.435,1169 3.875,1170 3.906,1171 3.936,1172 3.825,1173 3.79,1174 7.429,1175 3.797,1176 3.735,1177 3.774,1178 3.636,1179 3.591,1180 6.456,1181 3.585,1182 3.711,1183 3.738,1184 3.6,1185 3.519,1186 4.806,1187 3.535,1188 3.571,1189 3.622,1190 3.433,1191 3.426,1192 4.746,1193 3.417,1194 3.379,1195 3.428,1196 3.24,1197 3.21,1198 4.413,1199 3.206,1200 3.264,1201 3.299,1202 3.144,1203 3.057,1204 4.387,1205 3.049,1206 3.17,1207 3.223,1208 3,1209 2.932,1210 4.212,1211 2.965,1212 0.126,1213 0.111,1214 0.208,1215 0.126,1216 0.098,1217 4.417,1218 0.098,1219 3.899,1220 0.07,1221 7.264,1222 0.371,1223 4.399,1224 0.096,1225 3.416,1226 3.444,1227 2.443,1228 12.993,1229 3.359,1230 1.932,1231 1.9,1232 2.091,1233 2.078,1234 1.453,1235 2.076,1236 1.881,1237 1.852,1238 2.051,1239 2.01,1240 1.361,1241 2.029,1242 1.722,1243 1.674,1244 1.942,1245 1.889,1246 1.239,1247 1.905,1248 1.642,1249 1.612,1250 1.844,1251 1.867,1252 1.141,1253 1.857,1254 1.566,1255 1.514,1256 1.806,1257 1.746,1258 1.069,1259 1.767,1260 1.36,1261 1.307,1262 1.622,1263 1.569,1264 0.937,1265 1.585,1266 1.224,1267 1.161,1268 1.523,1269 1.468,1270 0.809,1271 1.471,1272 1.097,1273 1.065,1274 1.369,1275 1.385,1276 0.614,1277 1.389,1278 4.263,1280 5.572,1282 7.064,1284 8.647,1286 10.285,1293 9.492,1294 7.013,1297 23.819,1299 -1.525,1301 -0.813,1305 38.959,1306 90.208,1307 196.35,1308 275.056,1309 344.175,1310 364.93,1311 366.93,1312 85.24,1313 8.068,1314 91.29,1315 91.29,1316 30,1317 12.583,1318 3.17,1319 2.585,1320 51.745,1321 140,1322 158,1323 0.184,1324 234.342,1325 429.05,1326 563.555,1327 40330,1329 22.391,1330 0.7,1331 0.581,1332 22.391,1333 18.578,1334 15.533,1335 0.444,1336 0.341,1337 11.759,1338 14.831,1339 11.607,1340 9.436,1341 15.533,1342 11.928,1343 14.054,1344 0.293,1345 0.193,1346 14.054,1347 9.268,1348 10.871,1349 0.184,1350 0.112,1351 10.871,1352 6.584,1353 9.74,1354 0.122,1355 0.064,1356 9.74,1357 5.12,1358 7.515,1359 0.077,1360 0.038,1361 7.515,1362 3.665,1363 0.288,1364 98.215,1365 0.206,1366 29.857,1367 0.506,1368 166,1369 512.563,1370 190.468,1371 460.99,1372 611.27,1373 434,1374 190,1375 428.242,1376 211.373,1377 414.126,1378 612.32,1379 394,1380 5.796}
{0 CHEMBL127898,1 1.79,2 13,3 4.813,4 23.163,5 134.423,6 8.957,7 0.415,8 4.181,9 4.273,10 3.887,11 3.716,12 5.486,13 3.746,14 4.716,15 4.852,16 4.321,17 4.087,18 6.373,19 4.111,20 4.858,21 4.993,22 4.328,23 4.271,24 6.12,25 4.258,26 5.078,27 5.249,28 4.385,29 4.322,30 6.407,31 4.304,32 5.138,33 5.335,34 4.368,35 4.338,36 6.4,37 4.316,38 5.117,39 5.316,40 4.33,41 4.375,42 6.315,43 4.327,44 5.137,45 5.356,46 4.365,47 4.359,48 6.336,49 4.315,50 5.058,51 5.235,52 4.44,53 4.365,54 6.375,55 4.351,56 0.226,57 1.047,58 7.302,59 5.033,60 36.137,61 5.1,62 1.408,63 1.921,64 18.736,65 8.122,66 169.767,67 8.333,68 0.599,69 1.756,70 18.301,71 10.353,72 64.961,73 11.424,74 1.003,75 2.081,76 28.225,77 12.619,78 143.946,79 14.027,80 1.346,81 2.278,82 35.066,83 13.481,84 166.319,85 14.911,86 1.01,87 2.214,88 31.278,89 13.454,90 145.687,91 15.747,92 1.087,93 2.062,94 35.81,95 13.533,96 159.806,97 17.391,98 0.941,99 2.166,100 27.347,101 12.067,102 109.598,103 13.944,104 75,105 59,106 0.286,107 0.657,108 0.781,109 0.847,110 0.847,111 0.847,112 3.668,113 0.818,114 -3.63,115 -3.6,116 -3.43,119 46.6,124 2,125 1,127 1,133 1,135 1,136 2,138 1,142 8,143 3,144 1,145 1,152 1,158 3,160 1,172 13,174 2,175 8,183 14,187 2,188 12,196 10,199 3,200 14,208 4,212 1,213 15,221 3,224 1,225 13,233 4,237 4,238 12,246 9,249 3,250 8,258 13,262 4,263 8,271 12,275 3068,276 25.118,277 25.118,278 25.118,279 25.118,280 25.118,281 22.366,282 26.612,283 14.361,284 25.928,285 20.048,286 20.048,287 20.048,288 20.048,289 20.048,290 15.636,291 26.644,292 6.597,293 21.475,294 4.068,295 1.747,296 0.97,297 0.556,298 0.556,299 0.556,300 4.355,305 1,306 1041,307 4.416,310 118.433,311 408.33,318 1.737,319 61.181,322 0.75,323 0.83,324 0.83,325 0.3,326 0.5,327 0.83,328 1,329 0.72,330 86,331 494,332 4.573,333 4.437,334 6.821,335 4.208,336 3.233,337 4.093,338 4.032,339 11.204,340 3.156,341 4.377,342 4.116,343 6.659,344 4.053,345 3.136,346 3.948,347 2.035,348 10.682,349 2.959,350 4.2,351 4.057,352 6.455,353 3.897,354 3.098,355 3.652,356 2.035,357 10.195,358 2.683,359 4.063,360 3.682,361 6.136,362 3.663,363 2.679,364 3.599,365 1.704,366 8.748,367 2.529,368 4.044,369 3.546,370 5.702,371 3.568,372 2.592,373 3.249,374 1.24,375 7.576,376 2.413,377 3.766,378 3.064,379 5.585,380 3.311,381 2.353,382 2.992,383 0.831,384 7.159,385 2.202,386 3.705,387 2.726,388 5.276,389 3.226,390 2.266,391 2.958,392 0.394,393 6.632,394 2.163,395 3.495,396 2.66,397 5.218,398 3.095,399 2.148,400 2.603,401 0.284,402 6.518,403 1.993,404 3.186,405 2.44,406 4.735,407 2.606,408 1.643,409 2.184,411 4.752,412 1.574,413 3.069,414 2.362,415 4.486,416 2.451,417 1.5,418 1.944,420 4.231,421 1.413,422 2.911,423 1.995,424 3.848,425 2.063,426 1.147,427 1.586,429 2.804,430 1.047,431 2.731,432 1.878,433 3.636,434 2,435 1.03,436 1.5,438 2.373,439 1,440 2.56,441 1.53,442 3.414,443 2,444 1,445 1.5,447 2.275,448 1,449 2.5,450 1.311,451 3.414,452 1.946,453 1,454 1.321,456 2.275,457 0.938,458 2.5,459 1.179,460 3.4,461 1.725,462 0.759,463 1.154,465 1.713,466 0.725,467 17.357,468 0.457,469 1.151,470 0.03,471 52,472 1.368,473 27,474 0.711,475 25,476 0.658,477 32.102,478 0.845,479 40.243,480 0.694,481 50.101,482 1.318,483 10.746,484 0.283,485 7.361,486 0.194,487 0.172,488 0.029,489 0.334,492 3,493 0.646,494 1.06,495 0.599,496 1.093,497 0.561,498 0.911,499 0.495,500 0.531,501 0.692,502 0.683,503 0.33,504 0.733,505 0.577,506 0.823,507 0.847,508 1.163,509 0.445,510 1.14,511 0.816,512 0.87,513 0.999,514 1.14,515 0.669,516 1.155,517 1.026,518 0.869,519 1.06,520 0.899,521 0.813,522 0.966,523 0.751,524 0.847,525 1.053,526 1.092,527 0.699,528 1.162,529 0.538,530 0.645,531 0.782,532 0.864,533 0.553,534 0.907,535 0.659,536 0.844,537 0.857,538 0.996,539 0.648,540 1.001,541 9,542 0.407,543 5.111,544 3.063,545 2.52,546 1.476,547 1.209,548 1.065,549 0.828,550 0.61,551 20406,552 80312,553 2.001,554 34.5,556 18,558 2,564 1.795,565 1.831,566 3.579,567 -0.705,574 103.823,575 1.79,576 4.111,577 4.888,578 5.302,579 5.302,580 5.302,581 3.006,582 4.84,583 5.216,584 3.802,585 2672.77,586 9.233,587 43808.8,592 339.763,593 1.656,594 5.15,595 0.22,596 0.008,597 0.087,598 0.049,599 0.041,600 0.024,601 0.02,602 0.017,603 0.012,604 0.01,605 0.487,606 0.33,607 0.88,608 1.039,609 208.94,610 -0.041,611 -0.152,612 0.038,613 -0.117,614 -0.054,615 -0.04,616 0.455,617 0.469,618 0.145,619 0.282,620 0.405,621 0.155,622 0.011,623 -0.074,624 -0.086,625 -0.183,626 0.034,627 -0.18,628 -0.053,629 -0.123,630 -0.089,631 -0.17,632 0.007,633 -0.159,634 -0.132,635 -0.017,636 -0.059,637 0.089,638 -0.058,639 0.061,640 -0.067,641 -0.034,642 -0.122,643 -0.109,644 -0.06,645 -0.124,646 0.06,647 0.001,648 0.203,649 0.101,650 0.033,651 0.176,652 0.005,653 -0.065,654 0.02,655 -0.037,656 -0.004,657 -0.011,658 6.086,659 5.778,660 0.605,661 43.235,662 1.034,663 1.136,664 2.404,665 5.778,666 0.691,667 3.738,668 4.094,669 4.344,670 4.595,671 4.796,672 4.913,673 5.088,674 5.215,675 5.303,676 5.398,677 7.677,678 0.692,679 519.52,680 3.738,681 5.303,682 6.155,683 7.048,684 7.918,685 8.814,686 9.692,687 10.59,688 11.473,689 12.372,690 8.6,697 1,698 1,699 2,700 1,706 10,707 1,711 5,712 1,713 17,715 1,730 1,732 58,734 22,735 2,736 41,738 61,739 27,740 15,741 4,742 8,743 5,745 4,746 4,757 1,758 2,759 20,760 5,763 3,768 1,770 1,772 4,776 3,778 20,779 10,781 11,784 1,787 5,792 1,793 3,808 1,809 3,818 1,823 1,827 2,828 2,834 1,835 4,839 2,841 3,843 38,851 1,854 2,856 1,857 1,858 1,859 2,863 2,865 2,866 3,867 5.2,870 1,871 1,872 1,874 20.75,875 11.429,876 8.347,877 3.186,878 2.779,879 1.352,880 0.97,881 7.696,882 10.686,883 4.052,884 4.608,885 5.175,886 5.694,887 6.151,888 6.454,889 6.837,890 7.15,891 7.471,892 7.753,893 0.889,894 62,895 14.664,897 6.783,898 8.318,899 25.321,901 20.288,903 2.818,904 107.083,908 235.422,909 198.748,910 83.928,912 47.145,913 44.88,915 198.748,916 282.567,917 128.808,918 16.793,919 7.717,920 85.286,921 125.756,922 150.117,923 2.757,924 211.88,925 9.817,926 235.422,927 282.675,928 92.025,931 235.422,932 36.145,933 55.88,934 9.817,935 89.401,936 154.439,937 29.019,939 280.302,940 131.072,941 198.748,944 245.239,945 35.982,946 124.768,947 33.203,948 170.929,949 235.422,950 175.953,951 198.748,953 0.589,954 0.34,955 0.18,956 0.094,957 27,958 14,959 0.115,960 7,962 1,963 4.538,964 377.548,966 23,967 186.666,973 26.705,974 10.951,975 5.98,977 174.054,978 15.215,979 4.157,983 1.986,984 1.779,986 610.122,987 56.5,992 12.778,994 1.39,996 0.171,998 59.981,999 65.876,1000 0.306,1001 0.702,1002 0.834,1003 0.905,1004 0.905,1005 0.905,1006 5.329,1007 2.148,1008 6.184,1009 6.632,1010 4.779,1011 5.296,1012 3.909,1013 7.038,1014 4.661,1015 6.57,1016 1.643,1017 7.78,1018 6.518,1019 4.575,1020 5.112,1021 4.09,1022 8.15,1023 4.327,1024 7.897,1025 1.5,1026 9.478,1027 4.752,1028 6.46,1029 7.46,1030 5.9,1031 11.17,1032 6.223,1033 9.254,1034 1.147,1035 11.234,1036 4.231,1037 7.031,1038 8.055,1039 6.962,1040 13.031,1041 6.675,1042 10.638,1043 1.03,1044 13.025,1045 2.804,1046 8.433,1047 9.878,1048 8.445,1049 15.63,1050 8.073,1051 12.04,1052 1,1053 14.84,1054 2.373,1055 9.325,1056 10.834,1057 9.76,1058 17.785,1059 8.872,1060 13.458,1061 1,1062 16.67,1063 2.275,1064 10.557,1065 12.431,1066 11.174,1067 20.247,1068 10.085,1069 3.233,1070 0.759,1071 18.513,1072 2.275,1073 11.59,1074 13.575,1075 12.549,1076 22.527,1077 11.049,1078 3.136,1079 11.204,1080 20.365,1081 1.713,1082 12.762,1083 15.064,1084 13.948,1085 24.941,1086 12.193,1087 3.098,1088 10.682,1089 22.225,1090 4.093,1091 13.858,1092 16.311,1093 15.337,1094 27.278,1095 13.236,1096 2.679,1097 10.195,1098 24.091,1099 3.948,1100 15.01,1101 17.745,1102 16.733,1103 29.674,1104 14.358,1105 2.592,1106 8.748,1107 25.962,1108 3.652,1109 16.135,1110 19.051,1111 18.126,1112 32.038,1113 15.441,1114 2.353,1115 7.576,1116 27.838,1117 3.599,1118 17.283,1119 20.459,1120 19.521,1121 34.429,1122 16.559,1123 2.266,1124 7.159,1125 29.717,1126 3.249,1127 18.421,1128 21.798,1129 20.915,1130 36.807,1131 17.663,1132 19945,1133 39867,1134 26.353,1135 40.057,1136 65.436,1137 67.004,1138 64.489,1139 61.742,1140 61.369,1141 79.987,1142 25.109,1143 182.531,1144 57.664,1145 5.522,1146 6.437,1147 6.372,1148 5.3,1149 5.233,1150 7.093,1151 6.067,1152 18.808,1153 5.156,1154 24.103,1155 1.596,1156 1.634,1157 1.573,1158 1.506,1159 1.497,1160 1.951,1161 0.612,1162 4.452,1163 1.406,1164 4.05,1165 4.083,1166 4.007,1167 3.957,1168 8.516,1169 3.963,1170 3.971,1171 4.002,1172 3.93,1173 3.892,1174 7.999,1175 3.894,1176 3.84,1177 3.885,1178 3.788,1179 3.687,1180 7.999,1181 3.709,1182 3.783,1183 3.807,1184 3.746,1185 3.659,1186 7.428,1187 3.674,1188 3.425,1189 3.45,1190 3.449,1191 3.23,1192 6.822,1193 3.254,1194 3.387,1195 3.425,1196 3.336,1197 3.103,1198 6.817,1199 3.126,1200 3.263,1201 3.331,1202 3.205,1203 3.006,1204 4.967,1205 3.069,1206 3.159,1207 3.219,1208 3.055,1209 2.892,1210 4.822,1211 2.938,1212 0.112,1213 0.108,1214 0.166,1215 0.103,1216 0.079,1217 4.573,1218 0.1,1219 4.437,1220 0.098,1221 6.821,1222 0.273,1223 4.208,1224 0.077,1225 3.233,1226 4.093,1227 4.032,1228 11.204,1229 3.156,1230 1.967,1231 1.949,1232 2.049,1233 2.065,1234 1.212,1235 2.058,1236 1.93,1237 1.908,1238 2.024,1239 2.012,1240 1.168,1241 2.016,1242 1.731,1243 1.707,1244 1.836,1245 1.881,1246 0.944,1247 1.865,1248 1.6,1249 1.548,1250 1.772,1251 1.819,1252 0.881,1253 1.808,1254 1.368,1255 1.308,1256 1.551,1257 1.6,1258 0.646,1259 1.583,1260 1.287,1261 1.235,1262 1.538,1263 1.533,1264 0.593,1265 1.503,1266 1.181,1267 1.109,1268 1.425,1269 1.49,1270 0.539,1271 1.443,1272 1.11,1273 1.066,1274 1.258,1275 1.421,1276 0.232,1277 1.369,1278 4.419,1280 5.765,1281 2.398,1282 7.296,1283 4.595,1284 8.911,1285 6.555,1286 10.572,1288 3.295,1290 37.78,1294 -0.094,1297 10.261,1299 -0.628,1300 1.285,1301 -4.836,1303 18.614,1304 3.931,1305 40.142,1306 103.823,1307 238.425,1308 283.498,1309 307.498,1310 307.498,1311 307.498,1312 104.977,1313 7.907,1314 105.86,1315 105.86,1316 23,1317 12.898,1318 4.524,1319 4.044,1320 67.116,1321 169,1322 194,1323 0.186,1324 245.834,1325 453.5,1326 591.595,1327 28843,1328 5.2,1329 27.449,1330 0.722,1331 0.532,1332 24.949,1333 20.23,1334 18.107,1335 0.442,1336 0.273,1337 10.934,1338 17.148,1339 10.682,1340 8.845,1341 16.96,1342 11.18,1343 16.998,1344 0.288,1345 0.141,1346 14.641,1347 8.321,1348 13.681,1349 0.18,1350 0.078,1351 13.357,1352 5.911,1353 11.211,1354 0.114,1355 0.041,1356 10.549,1357 3.981,1358 8.596,1359 0.072,1360 0.022,1361 8.102,1362 2.628,1363 0.29,1364 115.626,1365 0.195,1366 34.045,1367 0.521,1368 200,1369 853.765,1370 236.133,1371 742.813,1372 968.14,1373 686,1374 235,1375 675.37,1376 262.827,1377 669.301,1378 993.49,1379 621,1380 5.1}
{0 CHEMBL130774,1 1.54,2 13.333,3 2.726,4 7.431,5 157.471,6 7.451,7 0.426,8 4.458,9 4.559,10 4.03,11 3.944,12 5.509,13 3.947,14 5.045,15 5.197,16 4.361,17 4.339,18 6.08,19 4.326,20 5.251,21 5.436,22 4.449,23 4.5,24 6.273,25 4.45,26 5.295,27 5.484,28 4.523,29 4.604,30 6.32,31 4.537,32 5.492,33 5.708,34 4.601,35 4.632,36 6.493,37 4.582,38 5.467,39 5.656,40 4.641,41 4.656,42 6.56,43 4.612,44 5.505,45 5.703,46 4.607,47 4.691,48 6.55,49 4.627,50 5.575,51 5.793,52 4.553,53 4.649,54 6.607,55 4.579,56 0.082,57 1.078,58 16.007,59 7.36,60 9.536,61 9.116,62 0.725,63 1.744,64 33.659,65 11.924,66 49.148,67 14.839,68 1.242,69 2.07,70 43.33,71 15.316,72 67.541,73 19.924,74 0.405,75 2.313,76 42.01,77 17.373,78 60.167,79 23.461,80 1.035,81 2.583,82 56.425,83 19.042,84 79.294,85 25.534,86 1.341,87 2.532,88 53.939,89 18.575,90 94.848,91 24.363,92 0.75,93 2.683,94 54.674,95 19.98,96 90.117,97 26.502,98 1.446,99 2.682,100 62.886,101 20.317,102 139.259,103 27.074,104 5,105 64,106 0.234,107 0.499,108 0.582,109 0.652,110 0.673,111 0.709,112 3.765,113 0.917,114 -2.03,115 -2.08,116 -2.07,119 41.6,125 12,136 2,142 8,143 4,151 2,152 2,158 2,172 13,175 8,178 2,180 2,183 14,187 6,188 10,193 2,196 13,199 1,200 8,205 2,208 10,212 2,213 12,216 2,218 2,221 9,224 7,225 14,230 4,233 8,237 1,238 12,243 2,246 7,249 2,250 14,253 2,258 6,262 6,263 10,271 6,275 2912,276 29.399,277 29.399,278 29.399,279 29.399,280 29.399,281 26.733,282 27.492,283 18.218,284 30.4,285 23.336,286 23.336,287 23.336,288 23.336,289 23.336,290 19.027,291 24.164,292 8.814,293 24.813,294 4.726,295 2.988,296 2.442,297 1.984,298 1.848,299 1.607,300 4.484,305 1,306 1242,307 2.449,310 130.271,311 112.951,314 163.377,318 1.016,319 47.706,322 0.75,323 0.33,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.74,330 92.5,331 560,332 4.825,333 3.839,334 7.187,335 4.421,336 3.428,337 4.714,338 1.2,339 12.66,340 3.405,341 4.638,342 3.32,343 6.82,344 4.167,345 3.194,346 4.601,347 0.86,348 11.316,349 3.111,350 4.357,351 3.215,352 6.535,353 3.915,354 2.94,355 3.942,356 0.86,357 10.242,358 2.865,359 3.593,360 3.154,361 5.877,362 3.256,363 2.273,364 2.917,365 0.86,366 7.838,367 2.238,368 3.465,369 2.6,370 5.457,371 3.077,372 2.124,373 2.793,374 0.86,375 6.656,376 2.02,377 3.391,378 2.521,379 5.22,380 2.987,381 2.02,382 2.722,383 0.86,384 5.943,385 1.94,386 3.333,387 2.498,388 4.961,389 2.904,390 1.963,391 2.627,392 0.8,393 5.476,394 1.878,395 3.149,396 2.343,397 4.752,398 2.827,399 1.909,400 2.307,402 4.662,403 1.693,404 2.967,405 2.29,406 4.394,407 2.72,408 1.841,409 1.97,411 3.936,412 1.686,413 2.874,414 2.08,415 3.97,416 2.678,417 1.683,418 1.922,420 3.741,421 1.603,422 2.845,423 2.071,424 3.906,425 2.563,426 1.648,427 1.888,429 3.666,430 1.47,431 2.744,432 1.904,433 3.775,434 2.379,435 1.489,436 1.775,438 3.414,439 1.323,440 2.702,441 1.901,442 3.766,443 2.328,444 1.335,445 1.764,447 3.089,448 1.322,449 2.61,450 1.452,451 3.595,452 2.216,453 1.279,454 1.619,456 2.839,457 1.194,458 2.53,459 1.319,460 3.593,461 2.189,462 1.214,463 1.53,465 2.784,466 1.175,467 19.533,468 0.465,469 0.71,470 0.017,471 49,472 1.167,473 20.5,474 0.488,475 28.5,476 0.679,477 43.286,478 1.031,479 46.467,480 0.603,481 46.452,482 1.106,483 10.237,484 0.244,485 10.484,486 0.25,487 0.034,489 0.297,493 0.816,494 1.423,495 0.757,496 1.226,497 0.597,498 1.016,499 1.388,500 0.993,501 1.045,502 0.866,503 0.837,504 0.878,505 1.029,506 0.812,507 0.969,508 0.769,509 0.929,510 0.843,511 0.56,512 1.277,513 0.845,514 1.215,515 0.546,516 1.109,517 1.078,518 0.953,519 0.901,520 0.904,521 0.979,522 0.87,523 1.07,524 0.959,525 0.974,526 0.916,527 1.193,528 0.923,529 1.004,530 1.188,531 1.026,532 1.17,533 1.357,534 1.111,535 1.228,536 0.931,537 1.069,538 0.925,539 1.416,540 0.956,541 4,542 0.285,543 3.333,544 3.472,545 1.754,546 1.612,547 1.228,548 0.738,549 0.592,550 0.358,551 28413,552 74358,553 2.173,554 45.5,556 32,557 2,559 1,564 1.819,565 2.1,566 3.694,567 -0.384,574 118.611,575 1.54,576 3.279,577 3.825,578 4.283,579 4.419,580 4.659,581 1.956,582 4.44,583 5.375,584 3.759,585 3236.44,586 9.541,587 56768.6,592 482.543,593 1.116,594 5.352,595 0.085,596 0.005,597 0.052,598 0.05,599 0.024,600 0.021,601 0.015,602 0.01,603 0.008,604 0.005,605 0.275,606 0.5,607 0.75,608 0.338,609 236.651,610 -0.034,611 -0.226,612 0.077,613 -0.124,614 -0.022,615 -0.021,616 -0.202,617 0.101,618 -0.084,619 0.136,620 -0.079,621 0.063,622 0.051,623 0.219,624 0.005,625 0.233,626 -0.017,627 0.128,628 0.075,629 -0.208,630 0.045,631 -0.16,632 0.185,633 -0.079,634 -0.053,635 0.05,636 0.094,637 0.069,638 0.003,639 0.104,640 0.038,641 0.065,642 0.012,643 0.071,644 0.016,645 0.04,646 -0.083,647 -0.159,648 -0.071,649 -0.166,650 -0.074,651 -0.123,652 -0.075,653 0.038,654 -0.045,655 0.033,656 -0.095,657 0.007,658 2.062,659 6.367,660 0.952,661 37.429,662 1.01,663 1.125,664 0.801,665 0.642,666 0.654,667 3.871,668 4.174,669 4.511,670 4.868,671 5.124,672 5.323,673 5.561,674 5.743,675 5.852,676 5.979,677 7.777,678 0.63,679 573.7,680 3.871,681 5.407,682 6.275,683 7.168,684 8.068,685 8.984,686 9.903,687 10.832,688 11.763,689 12.7,690 3.9,697 1,698 2,705 4,706 10,711 2,712 2,713 20,732 77,734 23,735 2,736 47,738 82,739 32,740 16,741 4,742 8,743 4,745 6,746 25,759 20,760 12,763 3,768 2,772 4,778 35,779 8,780 1,781 10,787 3,789 1,792 0.167,793 7,804 2,808 3,809 2,812 2,828 2,834 5,835 1,843 42,851 12,853 1,854 5,867 9.1,870 2,871 5,874 20,875 13.65,876 9.389,877 4.704,878 4.418,879 1.452,880 0.993,881 9.452,882 14.193,883 4.111,884 4.696,885 5.369,886 6.059,887 6.634,888 7.095,889 7.628,890 8.106,891 8.422,892 8.856,893 0.25,894 69,895 15.682,897 6.752,898 7.706,899 30.09,901 24.866,903 2.206,904 92.667,908 400.217,909 175.626,910 21.809,912 105.289,915 175.626,916 505.507,917 21.809,919 68.146,920 93.905,921 114.699,922 21.686,923 27.83,924 376.675,926 400.217,927 197.435,928 105.289,931 400.217,932 50.29,933 54.999,935 71.944,936 125.491,939 400.217,940 127.098,941 175.626,944 400.217,945 81.721,946 97.703,947 18.011,948 105.289,949 400.217,950 127.098,951 175.626,953 0.563,954 0.332,955 0.197,956 0.11,957 30,958 12,961 7,962 1.3,963 4.974,964 454.261,965 0.35,966 38,967 186.477,973 28.804,974 13.782,975 6.397,976 3.736,977 123.3,978 19.723,983 1.441,984 4.147,985 18.011,986 702.942,987 60,992 26.733,996 -0.026,998 77.734,999 86.604,1000 0.246,1001 0.523,1002 0.61,1003 0.683,1004 0.705,1005 0.743,1006 5.347,1007 1.909,1008 6.232,1009 5.476,1010 4.86,1011 5.384,1012 2.53,1013 7.079,1014 4.769,1015 6.532,1016 1.841,1017 7.797,1018 4.662,1019 4.29,1020 5.215,1022 8.076,1023 4.241,1024 7.843,1025 1.683,1026 9.479,1027 3.936,1028 6.45,1029 7.647,1030 2.437,1031 11.299,1032 6.318,1033 9.206,1034 1.648,1035 11.237,1036 3.741,1037 6.858,1038 8.46,1040 13.244,1041 6.773,1042 10.617,1043 1.489,1044 13.046,1045 3.666,1046 8.407,1047 10.324,1048 2.446,1049 15.967,1050 8.267,1051 12.062,1052 1.335,1053 14.891,1054 3.414,1055 9.276,1056 11.562,1058 18.258,1059 9.164,1060 13.535,1061 1.279,1062 16.759,1063 3.089,1064 10.595,1065 13.218,1066 2.559,1067 20.828,1068 10.45,1069 3.428,1070 1.214,1071 18.646,1072 2.839,1073 11.664,1074 14.631,1076 23.25,1077 11.529,1078 3.194,1079 12.66,1080 20.546,1081 2.784,1082 12.902,1083 16.209,1084 2.761,1085 25.774,1086 12.748,1087 2.94,1088 11.316,1089 22.455,1090 4.714,1091 14.052,1092 17.693,1094 28.248,1095 13.897,1096 2.273,1097 10.242,1098 24.373,1099 4.601,1100 15.264,1101 19.243,1102 3.026,1103 30.761,1104 15.098,1105 2.124,1106 7.838,1107 26.297,1108 3.942,1109 16.447,1110 20.757,1112 33.258,1113 16.276,1114 2.02,1115 6.656,1116 28.226,1117 2.917,1118 17.654,1119 22.297,1120 3.331,1121 35.772,1122 17.474,1123 1.963,1124 5.943,1125 30.159,1126 2.793,1127 18.851,1128 23.825,1130 38.281,1131 18.667,1132 26307,1133 42712,1134 32.591,1135 50.381,1136 69.657,1137 72.534,1138 71.183,1139 69.37,1140 69.491,1141 88.607,1142 12.6,1143 196.926,1144 66.023,1145 5.807,1146 5.839,1147 7.158,1148 5.544,1149 5.428,1150 7.714,1151 2.4,1152 20.497,1153 5.405,1154 12.179,1155 1.482,1156 1.543,1157 1.515,1158 1.476,1159 1.479,1160 1.885,1161 0.268,1162 4.19,1163 1.405,1164 4.207,1165 4.235,1166 4.178,1167 4.126,1168 7.45,1169 4.135,1170 4.099,1171 4.132,1172 4.063,1173 4.013,1174 7.408,1175 4.021,1176 3.77,1177 3.79,1178 3.741,1179 3.629,1180 4.96,1181 3.65,1182 3.71,1183 3.743,1184 3.578,1185 3.462,1186 4.889,1187 3.482,1188 3.633,1189 3.672,1190 3.5,1191 3.411,1192 4.736,1193 3.423,1194 3.56,1195 3.61,1196 3.428,1197 3.354,1198 4.65,1199 3.365,1200 3.484,1201 3.54,1202 3.356,1203 3.299,1204 4.543,1205 3.305,1206 3.39,1207 3.448,1208 3.261,1209 3.181,1210 4.411,1211 3.191,1212 0.103,1213 0.082,1214 0.153,1215 0.094,1216 0.073,1217 4.825,1218 0.1,1219 3.839,1220 0.026,1221 7.187,1222 0.269,1223 4.421,1224 0.072,1225 3.428,1226 4.714,1227 1.2,1228 12.66,1229 3.405,1230 1.963,1231 1.945,1232 2.045,1233 2.038,1234 1.216,1235 2.041,1236 1.931,1237 1.906,1238 2.028,1239 2.03,1240 1.194,1241 2.03,1242 1.746,1243 1.713,1244 1.872,1245 1.907,1246 1.118,1247 1.899,1248 1.638,1249 1.591,1250 1.859,1251 1.888,1252 1.08,1253 1.877,1254 1.573,1255 1.526,1256 1.797,1257 1.809,1258 1.032,1259 1.807,1260 1.539,1261 1.5,1262 1.763,1263 1.784,1264 1.002,1265 1.776,1266 1.407,1267 1.355,1268 1.648,1269 1.65,1270 0.915,1271 1.64,1272 1.389,1273 1.341,1274 1.628,1275 1.606,1276 0.863,1277 1.612,1278 4.554,1280 5.861,1281 3.434,1282 7.359,1283 5.938,1284 8.964,1285 8.138,1286 10.636,1294 5.973,1296 2.559,1297 28.381,1305 48.497,1306 118.611,1307 252.455,1308 294.494,1309 329.788,1310 340.278,1311 358.768,1312 81.834,1313 9.775,1314 105.94,1315 105.94,1316 52,1317 13.199,1318 4.585,1319 3.807,1320 61.206,1321 214,1322 148,1323 0.145,1324 289.52,1325 509.89,1326 698.189,1327 374414,1329 28.727,1330 0.684,1331 0.56,1332 28.727,1333 23.511,1334 20.72,1335 0.441,1336 0.306,1337 14.079,1338 19.607,1339 13.894,1340 11.285,1341 20.72,1342 14.373,1343 17.769,1344 0.278,1345 0.158,1346 17.769,1347 10.102,1348 15.351,1349 0.171,1350 0.083,1351 15.351,1352 7.488,1353 13.743,1354 0.107,1355 0.043,1356 13.743,1357 5.539,1358 11.308,1359 0.068,1360 0.023,1361 11.308,1362 3.814,1363 0.227,1364 132.035,1365 0.175,1366 36.617,1367 0.403,1368 222,1369 707.772,1370 247.704,1371 648.588,1372 879.9,1373 616,1374 265,1375 618.046,1376 291.154,1377 618,1378 922.38,1379 584,1380 5.287}
{0 CHEMBL131035,1 1.539,2 9.303,3 3.119,4 9.726,5 124.34,6 7.884,7 0.526,8 4.16,9 4.259,10 3.79,11 3.722,12 5.25,13 3.722,14 4.724,15 4.865,16 4.174,17 4.15,18 5.807,19 4.135,20 4.96,21 5.133,22 4.273,23 4.318,24 6.01,25 4.275,26 5.045,27 5.216,28 4.369,29 4.423,30 6.152,31 4.37,32 5.216,33 5.411,34 4.455,35 4.464,36 6.288,37 4.422,38 5.239,39 5.421,40 4.498,41 4.502,42 6.37,43 4.464,44 5.307,45 5.493,46 4.467,47 4.525,48 6.418,49 4.475,50 5.28,51 5.488,52 4.283,53 4.412,54 6.379,55 4.332,56 0.049,57 0.799,58 10.244,59 5.076,60 7.664,61 6.06,62 0.4,63 1.352,64 21.304,65 8.603,66 30.715,67 10.259,68 0.601,69 1.647,70 29.182,71 11.622,72 40.495,73 14.458,74 0.297,75 1.84,76 29.845,77 13.179,78 53.088,79 16.97,80 0.615,81 2.123,82 39.12,83 14.885,84 54.949,85 18.909,86 0.691,87 2.14,88 39.499,89 15.16,90 66.111,91 18.907,92 0.629,93 2.271,94 42.62,95 16.29,96 86.381,97 19.96,98 1.015,99 2.139,100 44.452,101 15.865,102 117.465,103 19.881,104 5,105 55,106 0.248,107 0.566,108 0.665,109 0.734,110 0.745,111 0.745,112 3.534,113 0.88,114 -3.08,115 -3.08,116 -2.97,119 46.4,125 6,136 2,142 8,143 4,151 2,152 2,158 2,172 13,175 8,178 2,180 2,183 14,187 3,188 10,193 2,196 13,199 1,200 8,205 2,208 10,212 2,213 12,216 2,218 2,221 9,224 4,225 14,230 4,233 8,237 1,238 12,243 2,246 7,249 2,250 12,253 2,258 6,262 2,263 6,271 6,275 1398,276 23.035,277 23.035,278 23.035,279 23.035,280 23.035,281 20.369,282 18.735,283 13.718,284 23.556,285 18.836,286 18.836,287 18.836,288 18.836,289 18.836,290 14.527,291 15.742,292 6.564,293 19.611,294 4.268,295 2.29,296 1.679,297 1.25,298 1.179,299 1.179,300 4.257,304 1,305 1,306 696,307 2.449,310 95.899,311 86.196,314 123.706,318 0.797,319 34.054,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 71.5,331 307,332 4.825,333 3.839,334 7.187,335 4.421,336 3.428,337 4.714,338 1.2,339 12.66,340 3.405,341 4.638,342 3.32,343 6.82,344 4.167,345 3.194,346 4.601,347 0.86,348 11.316,349 3.111,350 4.357,351 3.216,352 6.535,353 3.916,354 2.94,355 3.942,356 0.86,357 10.242,358 2.865,359 3.592,360 3.153,361 5.877,362 3.256,363 2.271,364 2.916,365 0.8,366 7.838,367 2.238,368 3.465,369 2.564,370 5.457,371 3.081,372 2.131,373 2.793,375 6.656,376 2.022,377 3.39,378 2.413,379 5.22,380 2.979,381 2.007,382 2.722,384 5.942,385 1.936,386 3.333,387 2.34,388 4.961,389 2.906,390 1.926,391 2.627,393 5.477,394 1.88,395 3.149,396 2.044,397 4.752,398 2.686,399 1.796,400 2.307,402 4.661,403 1.685,404 2.872,405 2.026,406 4.395,407 2.678,408 1.648,409 1.93,411 3.771,412 1.58,413 2.84,414 1.883,415 3.895,416 2.363,417 1.454,418 1.874,420 3.591,421 1.322,422 2.717,423 1.452,424 3.818,425 2.327,426 1.33,427 1.8,429 3.106,430 1.32,431 2.623,432 1.296,433 3.602,434 2.172,435 1.193,436 1.642,438 2.815,439 1.163,440 2.529,441 1.248,442 3.596,443 2.152,444 1.181,445 1.528,447 2.765,448 1.139,449 2.267,450 1.062,451 3.565,452 1.878,453 0.912,454 1.199,456 2.247,457 0.874,458 2.218,459 1.058,460 3.446,461 1.832,462 0.871,463 1.079,465 2.165,466 0.832,467 15.533,468 0.471,469 0.71,470 0.022,471 43,472 1.303,473 20.5,474 0.621,475 22.5,476 0.682,477 29.19,478 0.885,479 34.267,480 0.612,481 37.034,482 1.122,483 8.726,484 0.264,485 7.495,486 0.227,487 0.043,489 0.373,493 0.754,494 1.276,495 0.7,496 1.043,497 0.54,498 0.889,499 1.125,500 0.976,501 0.921,502 0.83,503 0.652,504 0.831,505 0.971,506 0.861,507 0.912,508 0.818,509 0.871,510 0.848,511 0.624,512 1.208,513 0.862,514 1.151,515 0.546,516 1.067,517 1.011,518 1.004,519 0.903,520 0.975,521 0.921,522 0.927,523 1.088,524 1.01,525 0.943,526 0.984,527 1.144,528 0.946,529 1.272,530 1.104,531 1.101,532 1.107,533 1.404,534 1.078,535 1.248,536 0.953,537 1.177,538 1.01,539 1.451,540 1.068,541 4,542 0.05,543 3.333,544 3.472,545 1.754,546 1.612,547 1.228,548 0.738,549 0.504,550 0.122,551 13617,552 34982,553 2.222,554 41.1,556 20,557 2,559 1,564 1.765,565 2.129,566 3.199,567 -0.382,569 1,574 86.204,575 1.539,576 3.517,577 4.129,578 4.557,579 4.629,580 4.629,581 1.777,582 3.953,583 5.029,584 3.236,585 1708.44,586 8.868,587 24049.3,589 1,592 325.212,593 1.234,594 4.997,595 0.105,596 0.004,597 0.061,598 0.058,599 0.027,600 0.023,601 0.017,602 0.011,603 0.009,604 0.004,605 0.319,606 0.5,607 0.88,608 0.398,609 167.999,610 -0.035,611 -0.169,612 0.07,613 -0.06,614 -0.028,615 0.009,616 -0.103,617 0.107,618 -0.038,619 0.128,620 -0.017,621 0.068,622 0.005,623 0.156,624 0.02,625 0.165,626 -0.036,627 0.107,628 0.079,629 -0.192,630 0.021,631 -0.153,632 0.182,633 -0.09,634 0.005,635 0.005,636 0.073,637 -0.006,638 0.018,639 0.035,641 -0.007,642 0.027,643 -0.013,644 -0.001,645 0.006,646 -0.144,647 -0.115,648 -0.12,649 -0.137,650 -0.114,651 -0.125,652 -0.033,653 0.009,654 -0.142,655 -0.041,656 -0.104,657 -0.098,658 2.032,659 6.109,660 0.939,661 21.058,662 1.008,663 1.116,664 1.854,665 3.436,666 0.687,667 3.664,668 4.025,669 4.407,670 4.796,671 5.069,672 5.278,673 5.525,674 5.714,675 5.826,676 5.956,677 5.684,678 0.664,679 441.52,680 3.664,681 5.231,682 6.129,683 7.05,684 7.973,685 8.909,686 9.844,687 10.785,688 11.726,689 12.671,690 5.4,697 1,698 2,705 4,706 10,711 2,712 2,713 20,732 56,734 23,735 2,736 38,738 61,739 26,740 16,741 4,742 8,743 4,745 6,746 25,759 20,760 6,763 3,768 2,772 4,775 1,778 23,779 5,780 1,781 7,787 3,789 1,792 0.167,793 4,804 2,808 3,809 2,812 2,828 2,834 2,835 1,843 33,851 6,853 1,854 2,867 7.1,870 2,871 2,874 15.5,875 10.15,876 7.139,877 3.454,878 4.46,879 1.478,880 1.055,881 5.141,882 13.781,883 3.951,884 4.61,885 5.327,886 6.038,887 6.622,888 7.088,889 7.624,890 8.104,891 8.421,892 8.855,893 0.375,894 60,895 12.308,897 5.493,898 7.717,899 23.588,901 20.248,903 2.217,904 73.167,907 1,908 258.964,909 148.072,910 21.809,912 72.29,915 148.072,916 331.254,917 21.809,919 40.592,920 93.905,921 81.699,922 21.686,923 27.83,924 235.422,926 258.964,927 169.881,928 72.29,931 258.964,932 50.29,933 22,935 44.39,936 125.491,939 258.964,940 94.099,941 148.072,944 258.964,945 54.167,946 97.703,947 18.011,948 72.29,949 258.964,950 94.099,951 148.072,953 0.581,954 0.355,955 0.216,956 0.123,957 30,958 12,961 7,962 1.387,963 4.156,964 353.17,965 0.452,966 29,967 134.465,973 20.427,974 8.305,975 3.423,976 3.869,977 90.3,978 19.813,983 1.521,984 4.169,985 18.011,986 501.134,987 51,992 26.219,996 0.107,998 56.451,999 62.485,1000 0.265,1001 0.606,1002 0.711,1003 0.785,1004 0.797,1005 0.797,1006 5.209,1007 1.796,1008 6.12,1009 5.477,1010 4.71,1011 5.298,1012 2.094,1013 7.017,1014 4.648,1015 6.435,1016 1.648,1017 7.72,1018 4.661,1019 4.29,1020 5.215,1022 8.076,1023 4.241,1024 7.774,1025 1.454,1026 9.43,1027 3.771,1028 6.361,1029 7.621,1030 2.099,1031 11.288,1032 6.263,1033 9.158,1034 1.33,1035 11.207,1036 3.591,1037 6.858,1038 8.46,1040 13.244,1041 6.773,1042 10.585,1043 1.193,1044 13.028,1045 3.106,1046 8.366,1047 10.318,1048 2.21,1049 15.966,1050 8.247,1051 12.042,1052 1.181,1053 14.88,1054 2.815,1055 9.276,1056 11.562,1058 18.258,1059 9.164,1060 13.522,1061 0.912,1062 16.753,1063 2.765,1064 10.579,1065 13.216,1066 2.41,1067 20.828,1068 10.445,1069 3.428,1070 0.871,1071 18.642,1072 2.247,1073 11.664,1074 14.631,1076 23.25,1077 11.529,1078 3.194,1079 12.66,1080 20.544,1081 2.165,1082 12.896,1083 16.208,1084 2.673,1085 25.774,1086 12.746,1087 2.94,1088 11.316,1089 22.454,1090 4.714,1091 14.052,1092 17.693,1094 28.248,1095 13.897,1096 2.271,1097 10.242,1098 24.372,1099 4.601,1100 15.262,1101 19.243,1102 2.977,1103 30.761,1104 15.097,1105 2.131,1106 7.838,1107 26.296,1108 3.942,1109 16.447,1110 20.757,1112 33.258,1113 16.276,1114 2.007,1115 6.656,1116 28.225,1117 2.916,1118 17.653,1119 22.297,1120 3.305,1121 35.772,1122 17.474,1123 1.926,1124 5.942,1125 30.159,1126 2.793,1127 18.851,1128 23.825,1130 38.281,1131 18.667,1132 12397,1133 20024,1134 26.353,1135 38.449,1136 58.341,1137 60.571,1138 59.686,1139 57.968,1140 58.083,1141 77.206,1142 7.44,1143 174.127,1144 56.174,1145 5.778,1146 5.839,1147 7.076,1148 5.527,1149 5.428,1150 7.714,1151 2.4,1152 20.497,1153 5.405,1154 10.168,1155 1.535,1156 1.594,1157 1.571,1158 1.525,1159 1.529,1160 2.032,1161 0.196,1162 4.582,1163 1.478,1164 4.206,1165 4.233,1166 4.177,1167 4.125,1168 7.45,1169 4.134,1170 4.098,1171 4.132,1172 4.062,1173 4.013,1174 7.408,1175 4.021,1176 3.77,1177 3.79,1178 3.741,1179 3.629,1180 4.958,1181 3.65,1182 3.65,1183 3.689,1184 3.52,1185 3.43,1186 4.888,1187 3.444,1188 3.532,1189 3.589,1190 3.409,1191 3.369,1192 4.657,1193 3.371,1194 3.407,1195 3.468,1196 3.294,1197 3.217,1198 4.428,1199 3.229,1200 3.253,1201 3.298,1202 3.135,1203 3.11,1204 4.328,1205 3.106,1206 3.133,1207 3.198,1208 2.991,1209 2.97,1210 4.203,1211 2.965,1212 0.127,1213 0.101,1214 0.189,1215 0.116,1216 0.09,1217 4.825,1218 0.124,1219 3.839,1220 0.032,1221 7.187,1222 0.333,1223 4.421,1224 0.09,1225 3.428,1226 4.714,1227 1.2,1228 12.66,1229 3.405,1230 1.963,1231 1.946,1232 2.045,1233 2.04,1234 1.218,1235 2.042,1236 1.931,1237 1.905,1238 2.027,1239 2.027,1240 1.191,1241 2.028,1242 1.749,1243 1.716,1244 1.884,1245 1.917,1246 1.126,1247 1.909,1248 1.609,1249 1.553,1250 1.798,1251 1.805,1252 1.031,1253 1.807,1254 1.541,1255 1.505,1256 1.731,1257 1.756,1258 0.96,1259 1.746,1260 1.324,1261 1.273,1262 1.566,1263 1.615,1264 0.799,1265 1.551,1266 1.307,1267 1.263,1268 1.457,1269 1.517,1270 0.589,1271 1.531,1272 1.158,1273 1.115,1274 1.314,1275 1.401,1276 0.348,1277 1.394,1278 4.344,1280 5.694,1281 3.434,1282 7.238,1283 5.938,1284 8.88,1285 8.138,1286 10.58,1294 3.379,1296 2.538,1297 11.551,1305 37.191,1306 86.204,1307 196.973,1308 231.212,1309 255.212,1310 259.212,1311 259.212,1312 54.765,1313 9.321,1314 78.25,1315 78.25,1316 43,1317 13.165,1318 4.585,1319 3.807,1320 42.676,1321 122,1322 84,1323 0.182,1324 219.977,1325 379.72,1326 528.505,1327 182018,1329 22.363,1330 0.678,1331 0.547,1332 22.363,1333 18.044,1334 16.22,1335 0.427,1336 0.293,1337 10.964,1338 15.542,1339 10.803,1340 8.797,1341 16.22,1342 11.141,1343 14.587,1344 0.265,1345 0.15,1346 14.587,1347 8.265,1348 13.101,1349 0.162,1350 0.079,1351 13.101,1352 6.372,1353 12.152,1354 0.101,1355 0.041,1356 12.152,1357 4.879,1358 10.183,1359 0.064,1360 0.022,1361 10.183,1362 3.439,1363 0.273,1364 102.035,1365 0.195,1366 29.292,1367 0.543,1368 186,1369 540.565,1370 203.069,1371 512.177,1372 709.98,1373 484,1374 229,1375 523.137,1376 246.85,1377 527.688,1378 791.34,1379 500,1380 5.564}
{0 CHEMBL131254,1 1.63,2 13.333,3 0.544,4 0.296,5 153.062,6 7.676,7 0.426,8 4.444,9 4.545,10 4.039,11 3.899,12 5.522,13 3.918,14 5.029,15 5.185,16 4.371,17 4.289,18 6.094,19 4.292,20 5.218,21 5.401,22 4.458,23 4.436,24 6.278,25 4.407,26 5.257,27 5.448,28 4.524,29 4.543,30 6.317,31 4.497,32 5.454,33 5.663,34 4.609,35 4.581,36 6.498,37 4.548,38 5.432,39 5.619,40 4.652,41 4.602,42 6.576,43 4.572,44 5.472,45 5.673,46 4.613,47 4.629,48 6.552,49 4.581,50 5.532,51 5.749,52 4.562,53 4.583,54 6.599,55 4.533,56 0.139,57 1.1,58 14.983,59 6.755,60 11.548,61 8.391,62 0.88,63 1.738,64 32.604,65 10.91,66 54.475,67 13.574,68 1.334,69 2.023,70 41.397,71 13.695,72 73.063,73 18.029,74 0.587,75 2.258,76 39.851,77 15.325,78 67.784,79 20.945,80 1.277,81 2.477,82 53.631,83 17.086,84 87.016,85 23.097,86 1.529,87 2.467,88 51.158,89 16.943,90 106.082,91 22.484,92 0.994,93 2.593,94 52.408,95 17.928,96 103.251,97 24.336,98 1.72,99 2.551,100 59.991,101 17.997,102 144.942,103 24.34,104 5,105 64,106 0.249,107 0.527,108 0.606,109 0.653,110 0.667,111 0.704,112 3.765,113 0.9,114 -1.84,115 -1.9,116 -1.91,119 40,125 12,136 2,142 4,143 4,145 2,151 2,158 2,161 2,172 9,174 2,175 10,178 2,180 2,183 8,187 6,188 12,193 2,196 7,199 1,200 10,205 2,208 6,212 4,213 12,216 2,218 2,221 5,224 9,225 12,228 2,230 2,233 4,237 3,238 10,246 3,249 6,250 10,253 2,258 2,262 7,263 8,271 1,275 2912,276 29.399,277 29.399,278 29.399,279 29.399,280 29.399,281 26.733,282 27.492,283 18.218,284 30.521,285 23.336,286 23.336,287 23.336,288 23.336,289 23.336,290 19.027,291 24.164,292 8.814,293 25.01,294 4.599,295 2.785,296 2.267,297 1.957,298 1.87,299 1.624,300 4.484,306 1242,307 2.449,310 130.271,311 112.951,314 163.377,318 1.016,319 53.175,322 0.5,323 0.33,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.64,330 93.5,331 560,332 4.825,333 3.839,334 7.187,335 4.419,336 3.428,337 4.714,338 1.2,339 12.66,340 3.399,341 4.638,342 3.32,343 6.82,344 4.157,345 3.194,346 4.601,347 0.86,348 11.316,349 3.083,350 4.357,351 3.215,352 6.535,353 3.905,354 2.94,355 3.942,356 0.86,357 10.242,358 2.833,359 3.593,360 3.154,361 5.877,362 3.248,363 2.273,364 2.917,365 0.86,366 7.838,367 2.216,368 3.465,369 2.6,370 5.457,371 3.076,372 2.124,373 2.793,374 0.86,375 6.656,376 2.012,377 3.391,378 2.521,379 5.22,380 2.982,381 2.02,382 2.722,383 0.86,384 5.943,385 1.935,386 3.333,387 2.498,388 4.961,389 2.888,390 1.963,391 2.627,392 0.8,393 5.476,394 1.85,395 3.149,396 2.343,397 4.752,398 2.826,399 1.909,400 2.307,402 4.662,403 1.693,404 2.967,405 2.29,406 4.394,407 2.72,408 1.841,409 1.97,411 3.936,412 1.647,413 2.874,414 2.08,415 3.97,416 2.657,417 1.683,418 1.922,420 3.741,421 1.602,422 2.845,423 2.071,424 3.906,425 2.562,426 1.648,427 1.888,429 3.666,430 1.468,431 2.744,432 1.904,433 3.775,434 2.376,435 1.489,436 1.775,438 3.414,439 1.316,440 2.702,441 1.901,442 3.766,443 2.306,444 1.335,445 1.764,447 3.089,448 1.291,449 2.61,450 1.452,451 3.595,452 2.2,453 1.279,454 1.619,456 2.839,457 1.173,458 2.53,459 1.319,460 3.593,461 2.179,462 1.214,463 1.53,465 2.784,466 1.164,467 19.333,468 0.46,469 0.71,470 0.017,471 50,472 1.19,473 20.5,474 0.488,475 29.5,476 0.702,477 42.491,478 1.012,479 46.667,480 0.622,481 47.247,482 1.125,483 10.396,484 0.248,485 10.325,486 0.246,487 0.034,489 0.3,493 0.833,494 1.54,495 0.729,496 1.284,497 0.597,498 1.028,499 1.376,500 0.962,501 1.026,502 0.842,503 0.846,504 0.851,505 1.052,506 0.92,507 0.948,508 0.792,509 0.95,510 0.841,511 0.642,512 1.231,513 0.839,514 1.163,515 0.6,516 1.057,517 1.086,518 0.958,519 0.921,520 0.911,521 1.003,522 0.883,523 0.988,524 0.986,525 0.948,526 0.949,527 1.145,528 0.947,529 0.96,530 1.186,531 0.986,532 1.158,533 1.226,534 1.088,535 1.197,536 0.884,537 1.067,538 0.902,539 1.334,540 0.945,541 4,542 0.285,543 3.333,544 3.472,545 1.754,546 1.612,547 1.228,548 0.738,549 0.592,550 0.358,551 28413,552 78418,553 2.173,554 44,556 28,557 2,558 2,559 1,564 1.819,565 2.1,566 3.694,567 -0.337,574 122.229,575 1.63,576 3.444,577 3.962,578 4.272,579 4.359,580 4.605,581 1.956,582 4.44,583 5.375,584 3.759,585 3236.44,586 9.541,587 56768.6,592 467.161,593 1.116,594 5.352,595 0.085,596 0.005,597 0.052,598 0.05,599 0.024,600 0.021,601 0.015,602 0.01,603 0.008,604 0.005,605 0.275,606 0.5,607 0.63,608 0.338,609 236.651,610 -0.052,611 -0.314,612 0.079,613 -0.171,614 -0.016,615 -0.041,616 -0.207,617 0.135,618 -0.075,619 0.155,620 -0.083,621 0.08,622 0.028,623 0.109,624 0.021,625 0.212,626 -0.023,627 0.128,628 0.035,629 -0.142,630 0.05,631 -0.113,632 0.162,633 -0.036,634 -0.054,635 0.042,636 0.071,637 0.066,638 -0.01,639 0.09,640 0.085,641 0.04,642 0.026,643 0.043,644 0.054,645 0.018,646 -0.054,647 -0.157,648 -0.032,649 -0.156,650 -0.026,651 -0.099,652 -0.055,653 0.082,654 -0.042,655 0.049,656 -0.083,657 0.013,658 2.11,659 6.331,660 0.952,661 37.429,662 1.016,663 1.13,664 0.607,665 0.368,666 0.652,667 3.871,668 4.174,669 4.511,670 4.868,671 5.124,672 5.323,673 5.561,674 5.743,675 5.852,676 5.979,677 7.777,678 0.633,679 575.68,680 3.871,681 5.407,682 6.275,683 7.168,684 8.068,685 8.984,686 9.903,687 10.832,688 11.763,689 12.7,690 6.7,697 1,698 2,700 2,705 4,706 8,707 2,711 2,712 2,713 20,732 75,734 23,736 47,738 80,739 30,740 14,743 4,745 6,746 25,759 18,760 12,763 3,768 2,772 4,778 33,779 10,780 1,781 12,787 5,789 1,792 0.167,793 7,802 2,804 2,808 3,809 2,812 2,828 2,834 5,835 1,843 42,851 12,853 1,854 5,867 9.3,870 2,871 5,874 20,875 13.383,876 9.389,877 4.549,878 4.418,879 1.452,880 0.989,881 9.353,882 14.193,883 4.111,884 4.696,885 5.369,886 6.059,887 6.634,888 7.095,889 7.628,890 8.106,891 8.422,892 8.856,893 0.25,894 69,895 15.671,897 6.759,898 7.754,899 29.831,901 24.482,903 2.254,904 94.667,908 376.675,909 154.958,910 55.38,912 105.289,915 154.958,916 481.965,917 55.38,919 68.146,920 56,921 175.242,922 39.781,923 23.542,924 329.591,926 376.675,927 210.338,928 105.289,931 376.675,932 50.29,933 54.999,935 93.47,936 83.297,937 33.571,939 376.675,940 160.669,941 154.958,944 376.675,945 80.863,946 77.893,947 18.011,948 138.86,949 376.675,950 160.669,951 154.958,953 0.563,954 0.332,955 0.197,956 0.11,957 30,958 12,961 7,962 1.3,963 4.974,964 454.261,965 0.35,966 38,967 186.477,973 28.68,974 13.696,975 6.348,976 2.958,977 156.871,978 14.625,979 9.144,983 1.275,984 3.9,985 18.011,986 692.303,987 60,992 26.661,996 -0.258,998 76.171,999 84.77,1000 0.262,1001 0.553,1002 0.636,1003 0.686,1004 0.7,1005 0.739,1006 5.347,1007 1.909,1008 6.232,1009 5.476,1010 4.86,1011 5.384,1012 2.53,1013 7.079,1014 4.753,1015 6.532,1016 1.841,1017 7.797,1018 4.662,1019 4.29,1020 5.215,1022 8.076,1023 4.226,1024 7.843,1025 1.683,1026 9.479,1027 3.936,1028 6.45,1029 7.647,1030 2.437,1031 11.299,1032 6.289,1033 9.206,1034 1.648,1035 11.237,1036 3.741,1037 6.858,1038 8.46,1040 13.244,1041 6.747,1042 10.617,1043 1.489,1044 13.046,1045 3.666,1046 8.407,1047 10.324,1048 2.446,1049 15.967,1050 8.229,1051 12.062,1052 1.335,1053 14.891,1054 3.414,1055 9.276,1056 11.562,1058 18.258,1059 9.128,1060 13.535,1061 1.279,1062 16.759,1063 3.089,1064 10.595,1065 13.218,1066 2.559,1067 20.828,1068 10.407,1069 3.428,1070 1.214,1071 18.646,1072 2.839,1073 11.664,1074 14.631,1076 23.25,1077 11.486,1078 3.194,1079 12.66,1080 20.546,1081 2.784,1082 12.902,1083 16.209,1084 2.761,1085 25.774,1086 12.7,1087 2.94,1088 11.316,1089 22.455,1090 4.714,1091 14.052,1092 17.693,1094 28.248,1095 13.849,1096 2.273,1097 10.242,1098 24.373,1099 4.601,1100 15.264,1101 19.243,1102 3.026,1103 30.761,1104 15.047,1105 2.124,1106 7.838,1107 26.297,1108 3.942,1109 16.447,1110 20.757,1112 33.258,1113 16.225,1114 2.02,1115 6.656,1116 28.226,1117 2.917,1118 17.654,1119 22.297,1120 3.331,1121 35.772,1122 17.421,1123 1.963,1124 5.943,1125 30.159,1126 2.793,1127 18.851,1128 23.825,1130 38.281,1131 18.612,1132 26307,1133 43880,1134 32.591,1135 48.87,1136 69.657,1137 72.534,1138 71.183,1139 69.358,1140 69.491,1141 88.607,1142 12.6,1143 196.926,1144 65.448,1145 5.807,1146 5.839,1147 7.158,1148 5.542,1149 5.428,1150 7.714,1151 2.4,1152 20.497,1153 5.374,1154 12.179,1155 1.482,1156 1.543,1157 1.515,1158 1.476,1159 1.479,1160 1.885,1161 0.268,1162 4.19,1163 1.393,1164 4.195,1165 4.227,1166 4.171,1167 4.093,1168 7.45,1169 4.108,1170 4.082,1171 4.123,1172 4.052,1173 3.963,1174 7.408,1175 3.98,1176 3.76,1177 3.784,1178 3.734,1179 3.591,1180 5.044,1181 3.62,1182 3.708,1183 3.742,1184 3.578,1185 3.46,1186 4.99,1187 3.48,1188 3.631,1189 3.67,1190 3.498,1191 3.402,1192 4.739,1193 3.416,1194 3.555,1195 3.605,1196 3.424,1197 3.349,1198 4.653,1199 3.358,1200 3.477,1201 3.535,1202 3.35,1203 3.287,1204 4.548,1205 3.294,1206 3.386,1207 3.445,1208 3.257,1209 3.178,1210 4.418,1211 3.187,1212 0.103,1213 0.082,1214 0.153,1215 0.094,1216 0.073,1217 4.825,1218 0.1,1219 3.839,1220 0.026,1221 7.187,1222 0.269,1223 4.419,1224 0.072,1225 3.428,1226 4.714,1227 1.2,1228 12.66,1229 3.399,1230 1.917,1231 1.898,1232 1.983,1233 2.025,1234 1.148,1235 2.011,1236 1.868,1237 1.835,1238 1.957,1239 2.016,1240 1.136,1241 1.999,1242 1.728,1243 1.686,1244 1.871,1245 1.907,1246 1.118,1247 1.899,1248 1.638,1249 1.591,1250 1.857,1251 1.886,1252 1.065,1253 1.875,1254 1.572,1255 1.525,1256 1.797,1257 1.808,1258 1.001,1259 1.806,1260 1.532,1261 1.492,1262 1.756,1263 1.783,1264 0.998,1265 1.773,1266 1.401,1267 1.351,1268 1.647,1269 1.649,1270 0.915,1271 1.639,1272 1.383,1273 1.333,1274 1.612,1275 1.601,1276 0.856,1277 1.603,1278 4.554,1280 5.861,1281 3.434,1282 7.359,1283 5.938,1284 8.964,1285 8.138,1286 10.636,1294 5.578,1296 2.518,1297 28.264,1305 47.486,1306 122.229,1307 258.293,1308 297.113,1309 320.407,1310 326.897,1311 345.387,1312 83.783,1313 9.775,1314 131.72,1315 131.72,1316 52,1317 13.199,1318 4.585,1319 3.807,1320 61.206,1321 214,1322 148,1323 0.145,1324 283.924,1325 497.29,1326 684.535,1327 374414,1329 28.727,1330 0.684,1331 0.554,1332 28.727,1333 23.251,1334 20.72,1335 0.441,1336 0.3,1337 13.766,1338 19.475,1339 13.612,1340 11.043,1341 20.72,1342 14.093,1343 17.769,1344 0.278,1345 0.153,1346 17.769,1347 9.817,1348 15.351,1349 0.171,1350 0.08,1351 15.351,1352 7.179,1353 13.743,1354 0.107,1355 0.041,1356 13.743,1357 5.261,1358 11.308,1359 0.068,1360 0.021,1361 11.308,1362 3.58,1363 0.227,1364 132.943,1365 0.175,1366 36.617,1367 0.403,1368 222,1369 747.062,1370 251.257,1371 682.949,1372 924.7,1373 648,1374 265,1375 650.976,1376 295.151,1377 648.72,1378 967.98,1379 612,1380 5}
{0 CHEMBL132223,1 1.646,2 9.303,3 0.936,4 0.877,5 119.931,6 8.213,7 0.526,8 4.14,9 4.241,10 3.802,11 3.666,12 5.267,13 3.685,14 4.702,15 4.848,16 4.186,17 4.088,18 5.825,19 4.094,20 4.916,21 5.086,22 4.284,23 4.241,24 6.018,25 4.223,26 4.996,27 5.168,28 4.37,29 4.348,30 6.148,31 4.321,32 5.165,33 5.35,34 4.464,35 4.404,36 6.295,37 4.383,38 5.195,39 5.374,40 4.512,41 4.439,42 6.389,43 4.419,44 5.266,45 5.456,46 4.474,47 4.452,48 6.421,49 4.421,50 5.221,51 5.428,52 4.294,53 4.328,54 6.368,55 4.272,56 0.1,57 0.837,58 9.142,59 4.59,60 9.578,61 5.334,62 0.535,63 1.382,64 19.966,65 7.732,66 35.163,67 8.966,68 0.696,69 1.628,70 26.802,71 10.226,72 47.447,73 12.515,74 0.476,75 1.821,76 27.289,77 11.302,78 61.448,79 14.285,80 0.839,81 2.05,82 35.338,83 12.995,84 61.611,85 16.182,86 0.893,87 2.1,88 36.044,89 13.626,90 77.464,91 16.961,92 0.888,93 2.205,94 39.974,95 14.449,96 100.026,97 17.768,98 1.267,99 2.033,100 40.828,101 13.615,102 121.724,103 16.955,104 5,105 55,106 0.267,107 0.612,108 0.705,109 0.741,110 0.741,111 0.741,112 3.534,113 0.857,114 -2.81,115 -2.82,116 -2.73,119 44.4,125 6,136 2,142 4,143 4,145 2,151 2,158 2,161 2,172 9,174 2,175 10,178 2,180 2,183 8,187 3,188 12,193 2,196 7,199 1,200 10,205 2,208 6,212 4,213 12,216 2,218 2,221 5,224 6,225 12,228 2,230 2,233 4,237 3,238 10,246 3,249 6,250 8,253 2,258 2,262 3,263 4,271 1,275 1398,276 23.035,277 23.035,278 23.035,279 23.035,280 23.035,281 20.369,282 18.735,283 13.718,284 23.677,285 18.836,286 18.836,287 18.836,288 18.836,289 18.836,290 14.527,291 15.742,292 6.564,293 19.808,294 4.109,295 1.982,296 1.407,297 1.185,298 1.185,299 1.185,300 4.257,304 1,305 1,306 696,307 2.449,310 95.899,311 86.196,314 123.706,318 0.797,319 39.329,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 72.5,331 307,332 4.825,333 3.839,334 7.187,335 4.419,336 3.428,337 4.714,338 1.2,339 12.66,340 3.399,341 4.638,342 3.32,343 6.82,344 4.157,345 3.194,346 4.601,347 0.86,348 11.316,349 3.083,350 4.357,351 3.216,352 6.535,353 3.905,354 2.94,355 3.942,356 0.86,357 10.242,358 2.833,359 3.592,360 3.153,361 5.877,362 3.247,363 2.271,364 2.916,365 0.8,366 7.838,367 2.215,368 3.465,369 2.564,370 5.457,371 3.08,372 2.131,373 2.793,375 6.656,376 2.015,377 3.39,378 2.413,379 5.22,380 2.975,381 2.007,382 2.722,384 5.942,385 1.932,386 3.333,387 2.34,388 4.961,389 2.889,390 1.926,391 2.627,393 5.477,394 1.851,395 3.149,396 2.044,397 4.752,398 2.685,399 1.796,400 2.307,402 4.661,403 1.647,404 2.872,405 2.026,406 4.395,407 2.657,408 1.648,409 1.93,411 3.771,412 1.578,413 2.84,414 1.883,415 3.895,416 2.357,417 1.454,418 1.874,420 3.591,421 1.31,422 2.717,423 1.452,424 3.818,425 2.303,426 1.33,427 1.8,429 3.106,430 1.29,431 2.623,432 1.296,433 3.602,434 2.152,435 1.193,436 1.642,438 2.815,439 1.138,440 2.529,441 1.248,442 3.596,443 2.141,444 1.181,445 1.528,447 2.765,448 1.124,449 2.267,450 1.062,451 3.565,452 1.849,453 0.912,454 1.199,456 2.247,457 0.847,458 2.218,459 1.058,460 3.446,461 1.83,462 0.871,463 1.079,465 2.165,466 0.83,467 15.333,468 0.465,469 0.71,470 0.022,471 44,472 1.333,473 20.5,474 0.621,475 23.5,476 0.712,477 28.483,478 0.863,479 34.467,480 0.638,481 37.741,482 1.144,483 8.884,484 0.269,485 7.336,486 0.222,487 0.043,489 0.378,493 0.78,494 1.409,495 0.665,496 1.104,497 0.544,498 0.9,499 1.118,500 0.928,501 0.898,502 0.792,503 0.672,504 0.792,505 1,506 0.986,507 0.886,508 0.854,509 0.902,510 0.849,511 0.738,512 1.139,513 0.861,514 1.077,515 0.611,516 0.999,517 1.015,518 1.002,519 0.937,520 0.992,521 0.956,522 0.955,523 0.956,524 1.028,525 0.914,526 1.035,527 1.096,528 0.985,529 1.186,530 1.085,531 1.059,532 1.089,533 1.263,534 1.055,535 1.189,536 0.886,537 1.19,538 0.989,539 1.368,540 1.072,541 4,542 0.05,543 3.333,544 3.472,545 1.754,546 1.612,547 1.228,548 0.738,549 0.504,550 0.122,551 13617,552 37618,553 2.222,554 38.9,556 16,557 2,558 2,559 1,564 1.765,565 2.129,566 3.199,567 -0.322,569 1,574 88.877,575 1.646,576 3.773,577 4.347,578 4.57,579 4.57,580 4.57,581 1.777,582 3.953,583 5.029,584 3.236,585 1708.44,586 8.868,587 24049.3,589 1,592 310.764,593 1.234,594 4.997,595 0.105,596 0.004,597 0.061,598 0.058,599 0.027,600 0.023,601 0.017,602 0.011,603 0.009,604 0.004,605 0.319,606 0.5,607 0.88,608 0.398,609 167.999,610 -0.059,611 -0.27,612 0.07,613 -0.113,614 -0.023,615 -0.016,616 -0.107,617 0.167,618 -0.031,619 0.165,620 -0.023,621 0.096,622 -0.023,623 0.03,624 0.037,625 0.134,626 -0.046,627 0.103,628 0.013,629 -0.097,630 0.018,631 -0.083,632 0.15,633 -0.033,634 0.001,635 0.005,636 0.024,637 -0.021,638 -0.003,640 0.072,641 -0.03,642 0.041,643 -0.056,644 0.038,645 -0.028,646 -0.109,647 -0.108,648 -0.074,649 -0.115,650 -0.067,651 -0.091,652 -0.001,653 0.071,654 -0.151,655 -0.027,656 -0.096,657 -0.105,658 2.08,659 6.073,660 0.939,661 21.058,662 1.016,663 1.123,664 1.578,665 2.491,666 0.684,667 3.664,668 4.025,669 4.407,670 4.796,671 5.069,672 5.278,673 5.525,674 5.714,675 5.826,676 5.956,677 5.684,678 0.67,679 443.5,680 3.664,681 5.231,682 6.129,683 7.05,684 7.973,685 8.909,686 9.844,687 10.785,688 11.726,689 12.671,690 9.3,697 1,698 2,700 2,705 4,706 8,707 2,711 2,712 2,713 20,732 54,734 23,736 38,738 59,739 24,740 14,743 4,745 6,746 25,759 18,760 6,763 3,768 2,772 4,775 1,778 21,779 7,780 1,781 9,787 5,789 1,792 0.167,793 4,802 2,804 2,808 3,809 2,812 2,828 2,834 2,835 1,843 33,851 6,853 1,854 2,867 7.4,870 2,871 2,874 15.5,875 9.883,876 7.139,877 3.299,878 4.46,879 1.478,880 1.05,881 5.066,882 13.781,883 3.951,884 4.61,885 5.327,886 6.038,887 6.622,888 7.088,889 7.624,890 8.104,891 8.421,892 8.855,893 0.375,894 60,895 12.295,897 5.498,898 7.778,899 23.328,901 19.863,903 2.278,904 75.167,908 235.422,909 127.404,910 55.38,912 72.29,915 127.404,916 307.712,917 55.38,919 40.592,920 56,921 142.243,922 39.781,923 23.542,924 188.338,926 235.422,927 182.784,928 72.29,931 235.422,932 50.29,933 22,935 65.915,936 83.297,937 33.571,939 235.422,940 127.67,941 127.404,944 235.422,945 53.309,946 77.893,947 18.011,948 105.861,949 235.422,950 127.67,951 127.404,953 0.581,954 0.355,955 0.216,956 0.123,957 30,958 12,961 7,962 1.387,963 4.156,964 353.17,965 0.452,966 29,967 134.465,973 20.306,974 8.232,975 3.386,976 3.091,977 123.871,978 14.699,979 9.047,983 1.355,984 3.922,985 18.011,986 490.495,987 51,992 26.147,996 -0.125,998 54.887,999 60.651,1000 0.286,1001 0.656,1002 0.755,1003 0.794,1004 0.794,1005 0.794,1006 5.209,1007 1.796,1008 6.12,1009 5.477,1010 4.71,1011 5.298,1012 2.094,1013 7.017,1014 4.63,1015 6.435,1016 1.648,1017 7.72,1018 4.661,1019 4.29,1020 5.215,1022 8.076,1023 4.226,1024 7.774,1025 1.454,1026 9.43,1027 3.771,1028 6.361,1029 7.621,1030 2.099,1031 11.288,1032 6.231,1033 9.158,1034 1.33,1035 11.207,1036 3.591,1037 6.858,1038 8.46,1040 13.244,1041 6.747,1042 10.585,1043 1.193,1044 13.028,1045 3.106,1046 8.366,1047 10.318,1048 2.21,1049 15.966,1050 8.208,1051 12.042,1052 1.181,1053 14.88,1054 2.815,1055 9.276,1056 11.562,1058 18.258,1059 9.128,1060 13.522,1061 0.912,1062 16.753,1063 2.765,1064 10.579,1065 13.216,1066 2.41,1067 20.828,1068 10.401,1069 3.428,1070 0.871,1071 18.642,1072 2.247,1073 11.664,1074 14.631,1076 23.25,1077 11.486,1078 3.194,1079 12.66,1080 20.544,1081 2.165,1082 12.896,1083 16.208,1084 2.673,1085 25.774,1086 12.698,1087 2.94,1088 11.316,1089 22.454,1090 4.714,1091 14.052,1092 17.693,1094 28.248,1095 13.849,1096 2.271,1097 10.242,1098 24.372,1099 4.601,1100 15.262,1101 19.243,1102 2.977,1103 30.761,1104 15.046,1105 2.131,1106 7.838,1107 26.296,1108 3.942,1109 16.447,1110 20.757,1112 33.258,1113 16.225,1114 2.007,1115 6.656,1116 28.225,1117 2.916,1118 17.653,1119 22.297,1120 3.305,1121 35.772,1122 17.421,1123 1.926,1124 5.942,1125 30.159,1126 2.793,1127 18.851,1128 23.825,1130 38.281,1131 18.612,1132 12397,1133 20768,1134 26.353,1135 36.938,1136 58.341,1137 60.571,1138 59.686,1139 57.956,1140 58.083,1141 77.206,1142 7.44,1143 174.127,1144 55.599,1145 5.778,1146 5.839,1147 7.076,1148 5.525,1149 5.428,1150 7.714,1151 2.4,1152 20.497,1153 5.374,1154 10.168,1155 1.535,1156 1.594,1157 1.571,1158 1.525,1159 1.529,1160 2.032,1161 0.196,1162 4.582,1163 1.463,1164 4.194,1165 4.226,1166 4.17,1167 4.093,1168 7.45,1169 4.108,1170 4.081,1171 4.122,1172 4.052,1173 3.963,1174 7.408,1175 3.98,1176 3.761,1177 3.785,1178 3.735,1179 3.592,1180 5.043,1181 3.621,1182 3.646,1183 3.685,1184 3.518,1185 3.424,1186 4.99,1187 3.438,1188 3.523,1189 3.582,1190 3.402,1191 3.35,1192 4.663,1193 3.354,1194 3.401,1195 3.464,1196 3.287,1197 3.212,1198 4.439,1199 3.222,1200 3.243,1201 3.291,1202 3.127,1203 3.087,1204 4.386,1205 3.086,1206 3.123,1207 3.192,1208 2.979,1209 2.953,1210 4.23,1211 2.947,1212 0.127,1213 0.101,1214 0.189,1215 0.116,1216 0.09,1217 4.825,1218 0.124,1219 3.839,1220 0.032,1221 7.187,1222 0.333,1223 4.419,1224 0.089,1225 3.428,1226 4.714,1227 1.2,1228 12.66,1229 3.399,1230 1.917,1231 1.898,1232 1.984,1233 2.027,1234 1.151,1235 2.013,1236 1.868,1237 1.834,1238 1.955,1239 2.012,1240 1.125,1241 1.995,1242 1.734,1243 1.691,1244 1.883,1245 1.917,1246 1.122,1247 1.909,1248 1.608,1249 1.551,1250 1.797,1251 1.804,1252 0.996,1253 1.805,1254 1.529,1255 1.492,1256 1.716,1257 1.752,1258 0.948,1259 1.739,1260 1.322,1261 1.264,1262 1.555,1263 1.614,1264 0.739,1265 1.548,1266 1.297,1267 1.263,1268 1.436,1269 1.514,1270 0.54,1271 1.526,1272 1.139,1273 1.092,1274 1.304,1275 1.394,1276 0.335,1277 1.383,1278 4.344,1280 5.694,1281 3.434,1282 7.238,1283 5.938,1284 8.88,1285 8.138,1286 10.58,1294 3.062,1296 2.498,1297 11.471,1305 36.181,1306 88.877,1307 203.744,1308 234.764,1309 246.764,1310 246.764,1311 246.764,1312 56.262,1313 9.321,1314 104.03,1315 104.03,1316 43,1317 13.165,1318 4.585,1319 3.807,1320 42.676,1321 122,1322 84,1323 0.182,1324 214.381,1325 367.12,1326 514.85,1327 182018,1329 22.363,1330 0.678,1331 0.539,1332 22.363,1333 17.783,1334 16.22,1335 0.427,1336 0.286,1337 10.652,1338 15.411,1339 10.52,1340 8.554,1341 16.22,1342 10.861,1343 14.587,1344 0.265,1345 0.145,1346 14.587,1347 7.979,1348 13.101,1349 0.162,1350 0.075,1351 13.101,1352 6.063,1353 12.152,1354 0.101,1355 0.038,1356 12.152,1357 4.601,1358 10.183,1359 0.064,1360 0.02,1361 10.183,1362 3.205,1363 0.273,1364 102.943,1365 0.195,1366 29.292,1367 0.543,1368 186,1369 579.855,1370 206.621,1371 546.538,1372 754.78,1373 516,1374 229,1375 556.067,1376 250.846,1377 558.408,1378 836.94,1379 528,1380 5}
{0 CHEMBL1336,1 1.965,2 14.281,3 4.176,4 17.437,5 110.459,6 9.685,7 0.529,8 4.003,9 4.1,10 3.755,11 3.517,12 5.316,13 3.555,14 4.496,15 4.622,16 4.2,17 3.853,18 6.254,19 3.888,20 4.687,21 4.837,22 4.212,23 3.955,24 6.089,25 3.972,26 4.729,27 4.888,28 4.278,29 3.87,30 6.302,31 3.909,32 4.633,33 4.809,34 4.034,35 3.794,36 6.141,37 3.811,38 4.604,39 4.799,40 3.841,41 3.776,42 5.894,43 3.752,44 4.507,45 4.685,46 3.977,47 3.684,48 6.22,49 3.67,50 4.383,51 4.577,52 3.681,53 3.61,54 5.663,55 3.582,56 0.311,57 0.902,58 5.104,59 4.001,60 37.643,61 3.787,62 1.055,63 1.686,64 11.815,65 6.648,66 147.525,67 6.555,68 0.943,69 1.452,70 18.483,71 8.178,72 99.294,73 8.02,74 1.323,75 1.452,76 26.239,77 8.848,78 158.001,79 8.205,80 1.117,81 1.415,82 18.246,83 7.271,84 116.513,85 7.605,86 1.027,87 1.273,88 21.288,89 8.134,90 142.434,91 8.546,92 1.184,93 1.129,94 18.324,95 6.854,96 152.715,97 8.195,98 0.73,99 1.053,100 16.236,101 6.388,102 91.483,103 6.945,104 55,105 48,106 0.331,107 0.647,108 0.756,109 0.856,110 0.873,111 0.88,112 3.501,113 0.833,114 -3.51,115 -3.48,116 -3.33,119 43.8,124 1,132 1,142 9,143 1,144 5,145 1,146 1,158 1,159 1,172 4,175 6,178 3,179 1,180 4,183 7,187 1,188 3,191 1,193 5,196 6,199 1,200 4,205 4,208 4,212 1,213 5,216 2,218 6,221 4,225 2,233 4,237 1,238 5,241 1,243 5,246 8,250 2,255 2,258 4,263 4,266 1,268 2,271 2,275 1830,276 20.806,277 20.806,278 20.806,279 20.806,280 20.806,281 18.374,282 27.261,283 12.092,284 21.506,285 16.717,286 16.717,287 16.717,288 16.717,289 16.717,290 12.942,291 35.352,292 5.698,293 17.916,294 3.62,295 1.75,296 1.1,297 0.506,298 0.406,299 0.365,300 4.178,301 1,304 1,305 1,306 952,307 4.416,311 372.995,318 2.451,319 58.279,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 73.833,331 457,332 4.547,333 4.475,334 7.24,335 4.244,336 3.377,337 4.049,338 3.825,339 12.181,340 2.944,341 4.229,342 3.563,343 6.062,344 3.837,345 2.866,346 3.823,347 1.656,348 8.764,349 2.785,350 4.066,351 3.555,352 5.644,353 3.683,354 2.72,355 3.635,356 1.058,357 7.822,358 2.609,359 3.875,360 3.063,361 5.565,362 3.519,363 2.58,364 3.161,365 0.86,366 7.541,367 2.405,368 3.704,369 2.994,370 5.413,371 3.332,372 2.4,373 3.009,374 0.247,375 7.063,376 2.229,377 3.547,378 2.575,379 5.211,380 3.124,381 2.195,382 2.804,384 6.337,385 2.036,386 3.361,387 2.395,388 4.965,389 2.936,390 2.011,391 2.613,393 5.825,394 1.806,395 3.175,396 2.246,397 4.578,398 2.71,399 1.738,400 2.359,402 4.786,403 1.597,404 2.847,405 1.789,406 4.063,407 2.351,408 1.412,409 1.947,411 3.427,412 1.315,413 2.583,414 1.433,415 4.032,416 2.114,417 1.154,418 1.616,420 3.137,421 1.089,422 2.568,423 1.187,424 3.473,425 2.075,426 1.102,427 1.566,429 2.48,430 1.069,431 2.5,432 1.086,433 3.414,434 2,435 1,436 1.5,438 2.275,439 1,440 1.544,441 1,442 3.068,443 1.223,444 0.316,445 0.37,447 0.808,448 0.276,449 1.471,450 0.86,451 2.898,452 1.174,453 0.188,454 0.223,456 0.331,457 0.183,458 1.444,459 0.704,460 2.828,461 1.024,462 0.136,463 0.167,465 0.249,466 0.108,467 14.671,468 0.458,469 1.021,470 0.032,471 43.5,472 1.359,473 22.5,474 0.703,475 21,476 0.656,477 23.394,478 0.731,479 35.129,480 0.732,481 38.162,482 1.193,483 9.153,484 0.286,485 5.998,486 0.187,487 0.187,488 0.034,489 0.307,490 3,493 0.672,494 1.018,495 0.554,496 0.944,497 0.612,498 0.824,499 0.517,500 0.801,501 0.611,502 0.927,503 0.43,504 0.908,505 0.935,506 0.909,507 0.936,508 0.987,509 0.751,510 0.982,511 1.088,512 1.107,513 1.071,514 1.179,515 1.047,516 1.061,517 0.873,518 0.815,519 0.804,520 0.914,521 1.013,522 1.01,523 1.047,524 0.881,525 0.996,526 0.952,527 1.056,528 1.054,529 0.365,530 0.644,531 0.656,532 0.919,533 0.347,534 1.007,535 0.884,536 0.873,537 0.969,538 0.973,539 0.846,540 1.059,541 9,542 0.178,543 3.556,544 2.563,545 1.716,546 0.979,547 0.891,548 0.307,549 0.411,550 0.279,551 15376,552 65351,553 1.968,554 33.3,556 12,558 1,559 3,564 1.738,565 1.803,566 3.763,567 0.946,569 1,574 94.33,575 1.965,576 3.835,577 4.485,578 5.079,579 5.179,580 5.22,581 3.254,582 4.563,583 4.974,584 4.01,585 1989.05,586 8.658,587 31334,592 268.078,593 1.663,594 4.899,595 0.265,596 0.007,597 0.074,598 0.053,599 0.038,600 0.024,601 0.026,602 0.009,603 0.014,604 0.01,605 0.521,606 0.33,607 0.88,608 1.042,609 172.898,610 -0.085,611 -0.089,612 -0.005,613 -0.02,614 -0.105,615 0.022,616 0.329,617 0.244,618 0.097,619 0.014,620 0.36,621 -0.038,622 -0.142,623 -0.113,624 -0.055,625 -0.044,626 -0.061,627 -0.038,628 -0.065,629 -0.162,630 0.01,631 -0.189,632 -0.046,633 -0.097,634 0.026,635 0.089,636 -0.036,637 -0.003,638 -0.075,639 -0.064,640 -0.179,641 -0.018,642 -0.109,643 0.022,644 -0.185,645 -0.009,646 0.46,647 0.153,648 0.226,649 0.031,650 0.427,651 0.014,652 -0.126,653 -0.039,654 -0.089,655 -0.011,656 -0.106,657 -0.021,658 5.892,659 5.121,660 0.563,661 37.637,662 1.048,663 1.144,664 2.279,665 5.192,666 0.691,667 3.555,668 3.892,669 4.06,670 4.263,671 4.431,672 4.394,673 4.533,674 4.489,675 4.554,676 4.605,677 8.626,678 0.696,679 464.86,680 3.555,681 5.106,682 5.927,683 6.801,684 7.638,685 8.511,686 9.353,687 10.224,688 11.071,689 11.94,690 8.3,697 3,700 1,706 10,707 1,711 7,713 18,720 1,730 1,731 1,732 48,734 20,735 2,736 34,738 50,739 21,740 17,741 5,742 7,743 1,745 3,746 3,747 1,750 1,751 1,756 1,759 19,760 2,763 2,768 2,772 2,775 1,776 3,778 16,779 10,780 3,781 11,782 1,787 4,792 1,793 3,802 1,809 3,835 3,839 1,840 1,841 3,843 32,853 3,854 1,858 1,866 4,867 6.3,870 2,872 1,874 17.75,875 8.855,876 6.972,877 2.537,878 3.315,879 1.441,880 0.976,881 7.36,882 10.836,883 3.829,884 4.413,885 4.896,886 5.413,887 5.919,888 5.977,889 6.322,890 6.484,891 6.755,892 7.102,893 1,894 48,895 12.345,897 5.799,898 8.449,899 20.963,901 16.414,903 2.949,904 94.361,908 153.024,909 144.913,910 70.818,911 39.149,912 61.29,913 44.88,915 144.913,916 253.463,917 115.698,918 8.396,919 54.032,920 85.286,921 83.551,922 90.371,923 4.276,924 141.253,925 46.908,926 153.024,927 215.731,928 106.17,929 39.149,931 153.024,932 106.17,935 73.596,936 125.35,937 55.934,939 197.905,940 132.108,941 184.062,944 160.784,945 34.424,946 102.73,947 54.032,948 162.104,949 153.024,950 176.988,951 184.062,953 0.589,954 0.327,955 0.166,956 0.088,957 21,958 11,959 0.1,960 5,962 1,963 4.301,964 271.251,966 18,967 151.245,973 23.544,974 10.003,975 6.443,977 176.988,978 13.766,979 3.94,983 -0.192,985 54.032,986 514.074,987 45,992 23.764,996 -1.095,998 50.32,999 54.906,1000 0.352,1001 0.687,1002 0.803,1003 0.909,1004 0.927,1005 0.935,1006 5.072,1007 1.738,1008 5.953,1009 5.825,1010 4.575,1011 5.1,1012 3.38,1013 6.765,1014 4.44,1015 6.3,1016 1.412,1017 7.526,1018 4.786,1019 4.369,1020 4.966,1021 3.949,1022 7.861,1023 4.067,1024 7.618,1025 1.154,1026 9.204,1027 3.427,1028 6.225,1029 7.25,1030 5.479,1031 10.845,1032 5.94,1033 8.965,1034 1.102,1035 10.948,1036 3.137,1037 6.77,1038 7.816,1039 6.701,1040 12.764,1041 6.297,1042 10.339,1043 1,1044 12.737,1045 2.48,1046 8.176,1047 9.65,1048 8.067,1049 15.376,1050 7.698,1051 11.73,1052 0.316,1053 14.559,1054 2.275,1055 9.059,1056 10.553,1057 9.391,1058 17.645,1059 8.396,1060 13.137,1061 0.188,1062 16.409,1063 0.808,1064 10.306,1065 12.182,1066 10.736,1067 20.162,1068 9.597,1069 3.377,1070 0.136,1071 18.281,1072 0.331,1073 11.352,1074 13.275,1075 12.075,1076 22.573,1077 10.466,1078 2.866,1079 12.181,1080 20.173,1081 0.249,1082 12.548,1083 14.794,1084 13.417,1085 25.07,1086 11.579,1087 2.72,1088 8.764,1089 22.08,1090 4.049,1091 13.671,1092 15.999,1093 14.758,1094 27.535,1095 12.536,1096 2.58,1097 7.822,1098 24.001,1099 3.823,1100 14.857,1101 17.455,1102 16.1,1103 30.03,1104 13.611,1105 2.4,1106 7.541,1107 25.933,1108 3.635,1109 16.02,1110 18.729,1111 17.441,1112 32.516,1113 14.614,1114 2.195,1115 7.063,1116 27.875,1117 3.161,1118 17.21,1119 20.15,1120 18.783,1121 35.013,1122 15.673,1123 2.011,1124 6.337,1125 29.823,1126 3.009,1127 18.393,1128 21.465,1129 20.124,1130 37.507,1131 16.701,1132 15123,1133 31467,1134 21.671,1135 33.148,1136 51.216,1137 52.199,1138 52.202,1139 50.72,1140 50.392,1141 65.683,1142 15.294,1143 146.047,1144 46.9,1145 5.419,1146 6.475,1147 6.794,1148 5.319,1149 5.377,1150 7.049,1151 5.335,1152 19.593,1153 4.944,1154 20.629,1155 1.506,1156 1.535,1157 1.535,1158 1.492,1159 1.482,1160 1.932,1161 0.45,1162 4.296,1163 1.379,1164 3.988,1165 4.014,1166 4.047,1167 3.891,1168 8.513,1169 3.896,1170 3.924,1171 3.946,1172 3.912,1173 3.836,1174 7.999,1175 3.842,1176 3.837,1177 3.871,1178 3.792,1179 3.731,1180 7.999,1181 3.741,1182 3.482,1183 3.542,1184 3.491,1185 3.207,1186 7.432,1187 3.245,1188 3.442,1189 3.496,1190 3.387,1191 3.162,1192 7.428,1193 3.209,1194 3.276,1195 3.319,1196 3.356,1197 2.98,1198 4.97,1199 3.031,1200 3.003,1201 3.05,1202 3.172,1203 2.805,1204 4.902,1205 2.81,1206 2.947,1207 2.997,1208 2.861,1209 2.786,1210 4.739,1211 2.774,1212 0.134,1213 0.132,1214 0.213,1215 0.125,1216 0.099,1217 4.547,1218 0.119,1219 4.475,1220 0.113,1221 7.24,1222 0.358,1223 4.244,1224 0.087,1225 3.377,1226 4.049,1227 3.825,1228 12.181,1229 2.944,1230 1.911,1231 1.889,1232 1.999,1233 2.036,1234 1.099,1235 2.023,1236 1.886,1237 1.867,1238 1.957,1239 1.995,1240 1.065,1241 1.985,1242 1.8,1243 1.77,1244 1.896,1245 1.931,1246 0.937,1247 1.924,1248 1.382,1249 1.309,1250 1.674,1251 1.68,1252 0.677,1253 1.678,1254 1.278,1255 1.237,1256 1.373,1257 1.597,1258 0.329,1259 1.533,1260 1.076,1261 1.038,1262 1.205,1263 1.406,1264 0.258,1265 1.321,1266 0.961,1267 0.904,1268 1.196,1269 1.199,1270 0.238,1271 1.194,1272 0.887,1273 0.845,1274 1.181,1275 1.11,1276 0.218,1277 1.107,1278 4.234,1280 5.565,1282 7.072,1284 8.658,1286 10.285,1288 1.488,1289 5.568,1290 38.817,1296 7.288,1297 5.658,1301 -4.642,1305 33.422,1306 94.33,1307 184.065,1308 215.284,1309 243.814,1310 248.568,1311 250.568,1312 91.208,1313 7.521,1314 92.35,1315 92.35,1316 18,1317 12.488,1318 4.392,1319 3.585,1320 61.745,1321 169,1322 152,1323 0.177,1324 208.921,1325 376.83,1326 501.528,1327 20990,1328 8.3,1329 23.303,1330 0.728,1331 0.538,1332 21.303,1333 17.213,1334 15.151,1335 0.446,1336 0.278,1337 8.887,1338 14.02,1339 8.726,1340 7.21,1341 14.229,1342 9.441,1343 14.506,1344 0.302,1345 0.141,1346 12.882,1347 6.761,1348 10.793,1349 0.189,1350 0.077,1351 10.512,1352 4.398,1353 8.636,1354 0.123,1355 0.04,1356 7.83,1357 2.808,1358 6.703,1359 0.081,1360 0.021,1361 6.322,1362 1.759,1363 0.289,1364 100.132,1365 0.215,1366 30.681,1367 0.452,1368 164,1369 766.387,1370 212.555,1371 681.716,1372 873.99,1373 628,1374 187,1375 586.788,1376 223.738,1377 579.809,1378 860.84,1379 543,1380 5.1}
{0 CHEMBL1375418,1 1.411,2 10.75,3 4.302,4 18.507,5 98.445,6 7.693,7 0.815,8 3.828,9 3.956,10 3.445,11 3.417,12 4.958,13 3.397,14 4.304,15 4.471,16 3.778,17 3.779,18 5.374,19 3.741,20 4.504,21 4.712,22 3.769,23 3.843,24 5.533,25 3.773,26 4.535,27 4.789,28 3.611,29 3.728,30 5.482,31 3.645,32 4.399,33 4.66,34 3.545,35 3.614,36 5.356,37 3.546,38 4.229,39 4.433,40 3.469,41 3.587,42 5.251,43 3.518,44 4.276,45 4.522,46 3.322,47 3.542,48 5.209,49 3.444,50 4.15,51 4.392,52 3.216,53 3.45,54 5.046,55 3.336,56 0.073,57 0.649,58 7.695,59 3.368,60 8.189,61 4.444,62 0.127,63 1.02,64 13.566,65 5.519,66 12.391,67 7.489,68 0.172,69 1.197,70 18.053,71 6.821,72 23.087,73 9.501,74 0.193,75 1.191,76 20.526,77 6.565,78 26.555,79 9.446,80 0.237,81 1.044,82 18.259,83 5.746,84 23.966,85 8.284,86 0.115,87 0.905,88 13.583,89 4.832,90 17.544,91 6.676,92 0.173,93 0.909,94 15.548,95 5.174,96 20.627,97 7.303,98 0.085,99 0.773,100 13.599,101 5.327,102 14.321,103 7.555,104 2,105 37,106 0.244,107 0.54,108 0.675,109 0.802,110 0.831,111 0.831,112 3.228,113 0.874,114 -6.43,115 -6.26,116 -5.81,119 46.3,120 1,125 1,142 11,143 3,147 1,161 2,166 2,172 14,174 2,175 5,178 1,180 2,183 14,187 2,188 10,191 1,193 3,196 8,200 10,205 2,208 3,213 9,216 2,218 2,221 6,225 6,230 3,233 8,238 5,243 2,246 7,250 6,255 1,258 7,263 5,271 9,275 782,276 16.654,277 16.654,278 16.654,279 16.654,280 16.654,281 14.06,282 12.138,283 9.974,284 16.881,285 13.358,286 13.358,287 13.358,288 13.358,289 13.358,290 9.548,291 17.319,292 4.791,293 13.745,294 3.947,295 2.237,296 1.453,297 0.72,298 0.555,299 0.555,300 3.932,304 1,305 1,306 572,307 2.345,310 52.882,311 209.18,314 94.217,318 1.625,319 10.966,321 1,322 0.75,323 0.83,324 0.83,325 0.5,327 0.83,328 1,329 0.68,330 50.5,331 258,332 4.609,333 3.177,334 6.718,335 4.115,336 3.169,337 4.554,338 0.657,339 10.943,340 2.998,341 4.021,342 2.848,343 5.768,344 3.631,345 2.643,346 3.617,348 7.868,349 2.617,350 3.95,351 2.603,352 5.437,353 3.517,354 2.538,355 3.535,357 7.207,358 2.478,359 3.633,360 2.413,361 5.226,362 3.217,363 2.261,364 3.051,366 6.575,367 2.162,368 3.396,369 2.24,370 4.877,371 3.032,372 2.045,373 2.691,375 5.657,376 2.01,377 3.219,378 1.743,379 4.635,380 2.714,381 1.741,382 2.556,384 4.649,385 1.69,386 2.82,387 1.346,388 4.042,389 2.322,390 1.34,391 1.97,393 3.367,394 1.314,395 2.576,396 1.15,397 3.504,398 2.067,399 1.1,400 1.612,402 2.619,403 1.061,404 2.5,405 1,406 3.414,407 2,408 1,409 1.5,411 2.275,412 1,413 2.5,414 1,415 3.293,416 2,417 1,418 1.5,420 2.136,421 1,422 2.116,423 0.957,424 3.247,425 1.733,426 0.782,427 0.988,429 1.854,430 0.742,431 1.844,432 0.566,433 3.144,434 1.464,435 0.505,436 0.678,438 1.242,439 0.483,440 1.169,441 0.161,442 2.507,443 0.862,444 -0.121,445 -0.147,447 -0.273,448 -0.118,449 0.862,450 -0.365,451 2.366,452 0.477,453 -0.504,454 -0.652,456 -1.191,457 -0.494,458 0.691,459 -0.672,460 2.124,461 0.219,462 -0.751,463 -1.014,465 -1.865,466 -0.725,467 11.5,468 0.479,469 0.465,470 0.019,471 35.75,472 1.49,473 20.5,474 0.854,475 15.25,476 0.635,477 14.893,478 0.621,479 23.9,480 0.583,481 23.535,482 0.981,483 7.252,484 0.302,485 4.541,486 0.189,487 0.043,489 0.296,493 0.692,494 1.065,495 0.738,496 0.94,497 0.793,498 0.863,499 0.753,500 1.151,501 0.824,502 1.035,503 0.762,504 0.956,505 0.89,506 1.203,507 0.983,508 1.14,509 0.896,510 1.085,511 1.424,512 1.152,513 1.044,514 0.971,515 1.195,516 0.963,517 1.311,518 0.856,519 0.888,520 0.72,521 0.965,522 0.746,523 1.372,524 1.174,525 1.137,526 1.075,527 1.272,528 1.077,529 1.486,530 0.886,531 1.173,532 0.9,533 1.389,534 0.98,535 0.78,536 1.014,537 0.945,538 1.042,539 0.709,540 1.019,541 4,542 0.067,543 2.444,544 0.944,545 1.072,546 0.525,547 0.256,548 0.266,549 0.189,550 0.091,551 7092,552 16664,553 2.187,554 41.5,555 3,556 13,559 1,564 1.666,565 2.118,566 3.403,567 -0.342,569 1,574 57.853,575 1.411,576 3.121,577 3.905,578 4.638,579 4.803,580 4.803,581 2.892,582 3.772,583 4.555,584 3.529,585 973.943,586 7.846,587 11541.2,589 1,591 1,592 219.66,593 1.099,594 4.546,595 0.148,596 0.005,597 0.066,598 0.027,599 0.037,600 0.019,601 0.01,602 0.012,603 0.009,604 0.005,605 0.338,606 0.33,607 0.88,608 0.382,609 114.92,610 0.238,611 0.045,612 0.073,613 -0.002,614 0.015,615 0.012,616 0.239,617 -0.083,618 0.05,619 -0.093,620 0.092,621 -0.054,622 0.16,623 -0.18,624 -0.044,625 -0.194,626 0.095,627 -0.153,628 -0.167,629 -0.144,630 -0.023,631 -0.04,632 -0.085,633 -0.019,634 -0.006,635 0.162,636 0.149,637 0.211,638 0.171,639 0.201,640 -0.248,641 -0.124,642 -0.206,643 -0.145,644 -0.186,645 -0.166,646 -0.325,647 0.125,648 -0.18,649 0.044,650 -0.344,651 -0.032,652 0.003,653 -0.093,654 0.032,655 -0.029,656 0.12,657 -0.001,658 0.935,659 1.625,660 0.875,661 21.382,662 0.995,663 1.122,664 5.198,665 27.02,666 0.697,667 3.332,668 3.638,669 3.912,670 4.174,671 4.419,672 4.443,673 4.554,674 4.71,675 4.754,676 4.82,677 6.204,678 0.665,679 315.41,680 3.332,681 4.86,682 5.707,683 6.575,684 7.441,685 8.317,686 9.192,687 10.072,688 10.952,689 11.836,690 12.2,695 1,698 1,700 3,705 1,706 11,707 3,711 5,713 22,725 1,732 41,734 22,735 2,736 27,738 44,739 19,740 17,741 3,742 9,745 4,746 5,751 1,759 17,760 2,775 1,778 17,779 4,780 1,781 5,787 5,792 0.75,801 1,808 1,809 3,812 1,835 3,839 1,843 24,851 1,853 1,864 1,874 11.333,875 7.717,876 5.25,877 2.399,878 4.014,879 1.542,880 1.035,881 3.875,882 11.418,883 3.664,884 4.307,885 4.939,886 5.563,887 6.134,888 6.406,889 6.84,890 7.306,891 7.583,892 7.96,893 1,894 35,895 8.799,897 3.689,898 7.542,899 17.021,901 13.847,903 2.042,904 49,907 1,908 188.338,909 131.098,910 69.164,915 131.098,916 188.338,917 69.164,918 8.825,919 2.106,920 104.239,921 72.043,922 10.721,923 2.328,924 188.338,926 188.338,927 200.261,931 188.338,935 16.138,936 116.123,937 68,939 188.338,940 69.164,941 131.098,944 188.338,945 18.034,946 114.228,947 18.011,948 49.989,949 188.338,950 69.164,951 131.098,953 0.576,954 0.332,955 0.18,956 0.103,957 19,958 7,959 0.091,960 4,961 1,962 1.095,963 3.78,964 195.599,965 0.095,966 21,967 102.039,973 14.705,974 6.324,975 3.118,976 0.731,977 68,978 22.262,979 13.069,983 5.002,985 18.011,986 388.599,987 38,998 40.811,999 45.983,1000 0.263,1001 0.582,1002 0.729,1003 0.866,1004 0.896,1005 0.896,1006 4.864,1007 1.1,1008 5.666,1009 3.367,1010 4.317,1011 4.994,1012 0.623,1013 6.444,1014 4.258,1015 6.074,1016 1,1017 7.197,1018 2.619,1019 3.761,1020 4.691,1022 7.273,1023 3.649,1024 7.373,1025 1,1026 8.827,1027 2.275,1028 5.872,1029 7.247,1030 0.317,1031 10.38,1032 5.741,1033 8.712,1034 0.782,1035 10.52,1036 2.136,1037 6.176,1038 7.831,1040 12.112,1041 5.973,1042 10.085,1043 0.505,1044 12.256,1045 1.854,1046 7.712,1047 9.799,1048 0.149,1049 14.73,1050 7.493,1051 11.482,1052 -0.121,1053 14.023,1054 1.242,1055 8.432,1056 10.83,1058 16.846,1059 8.133,1060 12.9,1061 -0.504,1062 15.814,1063 -0.273,1064 9.726,1065 12.537,1066 0.067,1067 19.31,1068 9.402,1069 3.169,1070 -0.751,1071 17.624,1072 -1.191,1073 10.659,1074 13.806,1076 21.589,1077 10.254,1078 2.643,1079 10.943,1080 19.45,1081 -1.865,1082 11.851,1083 15.397,1084 0.03,1085 24.003,1086 11.41,1087 2.538,1088 7.868,1089 21.289,1090 4.554,1091 12.891,1092 16.789,1094 26.348,1095 12.374,1096 2.261,1097 7.207,1098 23.139,1099 3.617,1100 14.046,1101 18.33,1102 0.013,1103 28.747,1104 13.481,1105 2.045,1106 6.575,1107 24.998,1108 3.535,1109 15.138,1110 19.784,1112 31.12,1113 14.503,1114 1.741,1115 5.657,1116 26.864,1117 3.051,1118 16.282,1119 21.305,1120 0.006,1121 33.514,1122 15.592,1123 1.34,1124 4.649,1125 28.737,1126 2.691,1127 17.402,1128 22.789,1130 35.898,1131 16.644,1132 6617,1133 10312,1134 18.781,1135 28.597,1136 40.589,1137 40.326,1138 40.832,1139 40.245,1140 40.246,1141 56.504,1142 1.315,1143 112.784,1144 39.112,1145 5.432,1146 5.177,1147 6.52,1148 5.164,1149 5.169,1150 7.554,1151 1.315,1152 18.07,1153 4.998,1154 6.588,1155 1.503,1156 1.494,1157 1.512,1158 1.491,1159 1.491,1160 2.093,1161 0.049,1162 4.177,1163 1.449,1164 4.114,1165 4.172,1166 4.094,1167 3.947,1168 5.218,1169 3.969,1170 3.929,1171 3.962,1172 3.859,1173 3.868,1174 4.75,1175 3.863,1176 3.821,1177 3.859,1178 3.753,1179 3.723,1180 4.72,1181 3.731,1182 3.436,1183 3.513,1184 3.35,1185 3.243,1186 4.532,1187 3.256,1188 3.216,1189 3.283,1190 3.091,1191 3.08,1192 3.999,1193 3.079,1194 2.979,1195 3.07,1196 2.834,1197 2.787,1198 3.921,1199 2.787,1200 2.854,1201 2.925,1202 2.687,1203 2.735,1204 3.695,1205 2.715,1206 2.854,1207 2.925,1208 2.687,1209 2.735,1210 3.674,1211 2.715,1212 0.171,1213 0.118,1214 0.249,1215 0.152,1216 0.117,1217 4.609,1218 0.169,1219 3.177,1220 0.024,1221 6.718,1222 0.405,1223 4.115,1224 0.111,1225 3.169,1226 4.554,1227 0.657,1228 10.943,1229 2.998,1230 1.945,1231 1.913,1232 2.064,1233 2.088,1234 1.195,1235 2.067,1236 1.918,1237 1.888,1238 2.026,1239 2.006,1240 1.106,1241 2.019,1242 1.79,1243 1.746,1244 1.885,1245 1.93,1246 0.942,1247 1.931,1248 1.356,1249 1.286,1250 1.625,1251 1.573,1252 0.779,1253 1.591,1254 1.191,1255 1.134,1256 1.362,1257 1.447,1258 0.453,1259 1.396,1260 1.039,1261 0.952,1262 1.287,1263 1.303,1264 0.36,1265 1.33,1266 0.886,1267 0.821,1268 1.181,1269 1.062,1270 0.218,1271 1.107,1272 0.886,1273 0.821,1274 1.181,1275 1.062,1276 0.218,1277 1.107,1278 4.007,1280 5.313,1281 2.398,1282 6.817,1283 4.727,1284 8.406,1285 6.843,1286 10.041,1288 2.087,1294 0.724,1296 3.354,1305 27.268,1306 57.853,1307 127.942,1308 160.096,1309 190.15,1310 196.905,1311 196.905,1312 24.957,1313 7.404,1314 55.11,1315 55.11,1316 23,1317 12.371,1318 4.524,1319 3.585,1320 33.99,1321 90,1322 94,1323 0.186,1324 168.149,1325 272.82,1326 402.043,1327 16895,1329 16.355,1330 0.681,1331 0.556,1332 16.355,1333 13.347,1334 11.793,1335 0.437,1336 0.291,1337 7.784,1338 11.453,1339 7.575,1340 6.34,1341 11.793,1342 7.868,1343 10.446,1344 0.282,1345 0.155,1346 10.446,1347 5.717,1348 8.951,1349 0.183,1350 0.079,1351 8.951,1352 3.889,1353 7.361,1354 0.115,1355 0.04,1356 7.361,1357 2.549,1358 6.236,1359 0.076,1360 0.022,1361 6.236,1362 1.795,1363 0.294,1364 73.065,1365 0.231,1366 23.639,1367 0.504,1368 128,1369 332.913,1370 138.13,1371 335.123,1372 477.9,1373 316,1374 150,1375 377.023,1376 162.156,1377 383.059,1378 556.8,1379 361,1380 5.1}
{0 CHEMBL1375640,1 1.852,2 9.5,3 3.44,4 11.836,5 89.112,6 9.51,7 0.708,8 3.682,9 3.781,10 3.504,11 3.314,12 4.882,13 3.277,14 4.143,15 4.278,16 3.912,17 3.661,18 5.35,19 3.603,20 4.267,21 4.418,22 3.958,23 3.695,24 5.454,25 3.621,26 4.213,27 4.356,28 3.748,29 3.664,30 5.31,31 3.537,32 4.19,33 4.365,34 3.688,35 3.588,36 5.257,37 3.467,38 4.233,39 4.452,40 3.745,41 3.519,42 5.332,43 3.386,44 4.015,45 4.225,46 3.359,47 3.335,48 5.051,49 3.222,50 3.869,51 4.08,52 3.198,53 3.185,54 4.961,55 3.081,56 0.069,57 0.53,58 4.674,59 2.908,60 8.069,61 3.133,62 0.219,63 0.828,64 10.84,65 5.123,66 19.32,67 5.551,68 0.396,69 0.896,70 17.961,71 6.013,72 27.845,73 5.8,74 0.228,75 0.838,76 18.032,77 6.743,78 18.997,79 6.778,80 0.243,81 0.829,82 17.508,83 5.906,84 22.282,85 6.471,86 0.389,87 0.842,88 23.464,89 6.947,90 31.28,91 7.412,92 0.225,93 0.672,94 13.627,95 4.835,96 22.335,97 5.267,98 0.247,99 0.545,100 11.148,101 4.123,102 22.045,103 5.015,104 10,105 33,106 0.336,107 0.695,108 0.815,109 0.875,110 0.886,111 0.886,112 3.146,113 0.969,114 -3.56,115 -3.53,116 -3.37,119 42.9,120 1,125 1,142 5,144 2,145 1,146 2,150 1,152 1,161 1,163 1,164 1,165 1,172 3,174 1,175 5,177 2,178 2,183 3,187 1,188 5,196 5,199 1,200 3,205 1,208 2,210 1,213 3,218 1,221 1,223 1,224 2,225 5,227 1,228 1,230 1,233 3,235 1,238 1,246 2,249 1,250 1,252 1,253 1,258 4,263 3,271 4,275 620,276 14.792,277 14.792,278 14.792,279 14.792,280 14.792,281 12.629,282 13.497,283 8.785,284 15.423,285 11.849,286 11.849,287 11.849,288 11.849,289 11.849,290 8.696,291 14.329,292 4.189,293 13,294 3.277,295 1.3,296 0.639,297 0.307,298 0.25,299 0.25,300 3.826,301 1,303 1,304 1,305 1,306 447,307 2.345,310 60.645,311 150.66,318 1.545,319 18.854,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47.333,331 209,332 4.447,333 3.273,334 6.506,335 3.998,336 3.078,337 4.151,338 1.151,339 10.196,340 2.83,341 4.161,342 3.145,343 6.023,344 3.703,345 2.796,346 3.774,348 8.558,349 2.501,350 3.919,351 2.673,352 5.449,353 3.418,354 2.509,355 3.503,357 7.198,358 2.274,359 3.418,360 2.424,361 5.052,362 3.016,363 2.107,364 2.694,366 5.982,367 1.898,368 3.065,369 2.051,370 4.68,371 2.672,372 1.734,373 2.243,375 4.789,376 1.617,377 2.901,378 1.892,379 4.197,380 2.438,381 1.499,382 2.072,384 3.857,385 1.41,386 2.841,387 1.548,388 3.868,389 2.338,390 1.414,391 1.972,393 2.983,394 1.228,395 2.683,396 1.261,397 3.604,398 2.16,399 1.222,400 1.765,402 2.848,403 1.14,404 2.336,405 1.031,406 3.467,407 1.713,408 0.873,409 1.261,411 2.358,412 0.719,413 1.845,414 0.84,415 3.16,416 1.487,417 0.614,418 0.736,420 1.443,421 0.525,422 1.087,423 0.419,424 2.538,425 0.66,426 -0.165,427 -0.196,429 -0.366,430 -0.114,431 0.954,432 -0.219,433 2.393,434 0.532,435 -0.391,436 -0.498,438 -0.876,439 -0.361,440 0.76,441 -0.248,442 2,443 0.368,444 -0.543,445 -0.66,447 -1.397,448 -0.49,449 0.66,450 -0.384,451 2,452 0.202,453 -0.71,454 -0.89,456 -1.77,457 -0.596,458 0.469,459 -0.722,460 1.764,461 0.049,462 -0.897,463 -1.193,465 -2.262,466 -0.823,467 10.981,468 0.499,469 0.541,470 0.025,471 31.5,472 1.432,473 17,474 0.773,475 14.5,476 0.659,477 15.925,478 0.724,479 22.619,480 0.646,481 19.411,482 0.882,483 6.147,484 0.279,485 4.484,486 0.204,487 0.147,489 0.319,493 0.87,494 1.149,495 0.606,496 0.803,497 0.994,498 0.772,499 0.939,500 0.972,501 0.678,502 0.822,503 0.677,504 0.771,505 1.195,506 0.973,507 1.108,508 1.074,509 1.04,510 0.92,511 1.176,512 1.247,513 1.425,514 1.447,515 1.019,516 1.291,517 1.084,518 1.206,519 1.219,520 1.238,521 1.143,522 1.172,523 0.881,524 0.907,525 0.853,526 0.96,527 0.726,528 0.885,529 1.174,530 0.906,531 0.989,532 0.926,533 1.236,534 0.981,535 0.81,536 0.762,537 0.785,538 0.769,539 0.844,540 0.922,541 4.5,542 0.083,543 2.444,544 1.569,545 1.099,546 0.57,547 0.31,548 0.315,549 0.147,550 0.084,551 5193,552 17262,553 2.07,554 37.1,556 7,558 1,559 2,560 3,564 1.642,565 1.941,566 3.243,567 0.393,569 1,571 1,574 64.816,575 1.852,576 3.83,577 4.49,578 4.822,579 4.879,580 4.879,581 2.704,582 4.459,583 4.433,584 3.403,585 785.996,586 7.598,587 8790.84,588 1,589 1,590 1,591 1,592 179.525,593 1.395,594 4.392,595 0.188,596 0.007,597 0.074,598 0.051,599 0.042,600 0.024,601 0.013,602 0.018,603 0.009,604 0.006,605 0.431,606 0.33,607 1,608 0.595,609 102.018,610 -0.109,611 -0.076,612 0.022,613 0.033,614 -0.221,615 0.032,616 0.05,617 0.067,618 0.127,619 0.114,620 0.14,621 0.105,622 -0.011,623 0.088,624 -0.057,625 -0.04,626 -0.059,627 -0.022,628 -0.169,629 -0.249,630 -0.303,631 -0.322,632 -0.116,633 -0.331,634 -0.16,635 -0.216,636 -0.165,637 -0.204,638 -0.216,639 -0.203,640 0.161,641 0.084,642 0.189,643 0.138,644 0.233,645 0.146,646 -0.223,647 0.086,648 -0.089,649 0.033,650 -0.249,651 -0.008,652 0.143,653 0.151,654 0.031,655 0.106,656 0.118,657 0.069,658 1.417,659 2.209,660 0.773,661 17.545,662 1.016,663 1.118,664 2.328,665 5.422,666 0.737,667 3.219,668 3.526,669 3.761,670 3.989,671 4.127,672 4.094,673 4.143,674 4.263,675 4.277,676 4.248,677 5.802,678 0.699,679 332.84,680 3.219,681 4.745,682 5.58,683 6.444,684 7.295,685 8.163,686 9.021,687 9.891,688 10.752,689 11.624,690 11.4,694 1,700 3,706 6,707 3,710 1,711 7,713 17,724 1,730 1,731 1,732 35,734 17,735 1,736 24,738 37,739 15,740 13,741 2,742 4,745 3,746 3,747 1,751 1,759 13,760 2,774 1,775 1,778 13,779 5,780 2,781 7,782 2,787 4,792 1,793 1,803 1,808 1,809 2,835 3,837 1,839 1,840 1,843 22,844 1,851 1,854 1,861 1,866 1,867 2.9,872 1,874 11.333,875 6.66,876 4.833,877 1.901,878 3.018,879 1.447,880 0.997,881 4.549,882 9.774,883 3.512,884 4.131,885 4.69,886 5.242,887 5.664,888 5.77,889 6.08,890 6.454,891 6.723,892 6.957,893 1,894 31,895 8.044,897 3.335,898 7.755,899 15.187,901 12.032,903 2.255,904 49.611,908 129.482,909 119.569,910 83.254,911 39.149,912 11,914 31.278,915 88.291,916 179.631,917 83.254,918 8.825,919 4.592,920 80.278,921 63.057,922 34.305,923 3.257,924 148.989,925 39.149,926 129.482,927 171.545,928 11,929 70.426,931 129.482,932 11,935 30.807,936 90.381,937 89.505,938 31.278,939 129.482,940 94.254,941 158.717,944 129.482,945 54.315,946 65.254,948 133.402,949 129.482,950 94.254,951 158.717,953 0.58,954 0.335,955 0.177,956 0.092,957 16,958 7,959 0.108,960 4,962 1,963 3.493,964 166.912,966 17,967 98.107,969 1,973 15.192,974 6.588,975 3.561,977 94.254,978 10.81,979 12.635,982 1.521,983 4.951,985 32.897,986 382.453,987 32.5,998 35.553,999 39.143,1000 0.361,1001 0.747,1002 0.875,1003 0.94,1004 0.951,1005 0.951,1006 4.721,1007 1.222,1008 5.557,1009 2.983,1010 4.205,1011 4.816,1012 1.294,1013 6.333,1014 4.019,1015 5.933,1016 0.873,1017 7.096,1018 2.848,1019 3.761,1020 4.559,1022 7.154,1023 3.445,1024 7.234,1025 0.614,1026 8.733,1027 2.358,1028 5.765,1029 7.01,1030 1.506,1031 10.236,1032 5.404,1033 8.57,1034 -0.165,1035 10.429,1036 1.443,1037 6.133,1038 7.564,1040 11.901,1041 5.623,1042 9.936,1043 -0.391,1044 12.162,1045 -0.366,1046 7.609,1047 9.469,1048 1.731,1049 14.484,1050 7.068,1051 11.325,1052 -0.543,1053 13.921,1054 -0.876,1055 8.36,1056 10.42,1058 16.506,1059 7.675,1060 12.73,1061 -0.71,1062 15.7,1063 -1.397,1064 9.614,1065 12.073,1066 1.968,1067 18.912,1068 8.891,1069 3.078,1070 -0.897,1071 17.494,1072 -1.77,1073 10.547,1074 13.229,1076 21.092,1077 9.697,1078 2.796,1079 10.196,1080 19.3,1081 -2.262,1082 11.708,1083 14.757,1084 2.214,1085 23.433,1086 10.806,1087 2.509,1088 8.558,1089 21.115,1090 4.151,1091 12.729,1092 16.024,1094 25.684,1095 11.716,1096 2.107,1097 7.198,1098 22.937,1099 3.774,1100 13.853,1101 17.49,1102 2.468,1103 28.004,1104 12.777,1105 1.734,1106 5.982,1107 24.766,1108 3.503,1109 14.916,1110 18.817,1112 30.287,1113 13.741,1114 1.499,1115 4.789,1116 26.6,1117 2.694,1118 16.026,1119 20.252,1120 2.727,1121 32.602,1122 14.781,1123 1.414,1124 3.857,1125 28.439,1126 2.243,1127 17.112,1128 21.614,1130 34.902,1131 15.775,1132 5040,1133 9323,1134 16.008,1135 25.79,1136 36.146,1137 36.493,1138 37.014,1139 35.805,1140 35.69,1141 48.341,1142 2.302,1143 100.423,1144 32.286,1145 5.282,1146 5.273,1147 6.196,1148 5.139,1149 5.078,1150 7.151,1151 2.302,1152 16.988,1153 4.83,1154 10.066,1155 1.506,1156 1.521,1157 1.542,1158 1.492,1159 1.487,1160 2.014,1161 0.096,1162 4.184,1163 1.345,1164 3.978,1165 4.003,1166 4.261,1167 3.939,1168 5.234,1169 3.895,1170 3.878,1171 3.899,1172 3.992,1173 3.819,1174 4.998,1175 3.808,1176 3.685,1177 3.735,1178 3.721,1179 3.537,1180 4.81,1181 3.54,1182 3.236,1183 3.295,1184 3.297,1185 3.046,1186 4.567,1187 3.039,1188 3.036,1189 3.146,1190 3.094,1191 2.816,1192 4.401,1193 2.793,1194 2.911,1195 2.968,1196 2.952,1197 2.787,1198 4.256,1199 2.776,1200 2.877,1201 2.921,1202 2.867,1203 2.738,1204 3.906,1205 2.725,1206 2.735,1207 2.798,1208 2.637,1209 2.596,1210 3.675,1211 2.575,1212 0.185,1213 0.136,1214 0.271,1215 0.167,1216 0.128,1217 4.447,1218 0.173,1219 3.273,1220 0.048,1221 6.506,1222 0.425,1223 3.998,1224 0.118,1225 3.078,1226 4.151,1227 1.151,1228 10.196,1229 2.83,1230 1.867,1231 1.849,1232 1.96,1233 1.957,1234 1.045,1235 1.964,1236 1.793,1237 1.759,1238 1.863,1239 1.957,1240 0.959,1241 1.936,1242 1.484,1243 1.431,1244 1.695,1245 1.687,1246 0.811,1247 1.692,1248 1.39,1249 1.366,1250 1.526,1251 1.532,1252 0.684,1253 1.566,1254 0.97,1255 0.885,1256 1.261,1257 1.306,1258 0.196,1259 1.311,1260 0.873,1261 0.824,1262 1.126,1263 1.035,1264 0.178,1265 1.075,1266 0.855,1267 0.82,1268 0.955,1269 0.988,1270 0.068,1271 1.029,1272 0.759,1273 0.687,1274 0.94,1275 0.963,1277 0.973,1278 3.892,1280 5.198,1281 2.398,1282 6.691,1283 4.727,1284 8.265,1285 6.804,1286 9.879,1288 1.934,1289 6.067,1292 5.627,1294 0.357,1297 5.709,1305 24.449,1306 64.816,1307 134.041,1308 157.16,1309 168.77,1310 170.77,1311 170.77,1312 28.104,1313 6.756,1314 73.92,1315 102.16,1316 17,1317 12.168,1318 4.17,1319 3.248,1320 34.595,1321 77,1322 64,1323 0.222,1324 159.693,1325 263.67,1326 381.412,1327 7239,1328 2.9,1329 15.527,1330 0.706,1331 0.607,1332 16.38,1333 13.357,1334 10.631,1335 0.443,1336 0.323,1337 6.57,1338 9.545,1339 6.282,1340 5.211,1341 11.328,1342 7.752,1343 9.61,1344 0.291,1345 0.183,1346 10.623,1347 6.032,1348 7.859,1349 0.187,1350 0.105,1351 9.095,1352 4.401,1353 6.448,1354 0.122,1355 0.058,1356 7.574,1357 3.091,1358 4.86,1359 0.08,1360 0.032,1361 5.806,1362 1.956,1363 0.35,1364 73.512,1365 0.25,1366 21.872,1367 0.606,1368 114,1369 361.047,1370 166.263,1371 401.668,1372 542.91,1373 376,1374 132,1375 365.004,1376 179.224,1377 394.576,1378 577.12,1379 371,1380 5.1}
{0 CHEMBL1381197,1 1.564,2 10.75,3 4.48,4 20.072,5 98.209,6 8.837,7 0.815,8 3.771,9 3.887,10 3.497,11 3.387,12 4.941,13 3.373,14 4.235,15 4.379,16 3.858,17 3.753,18 5.376,19 3.721,20 4.452,21 4.651,22 3.851,23 3.807,24 5.536,25 3.741,26 4.419,27 4.651,28 3.657,29 3.66,30 5.438,31 3.595,32 4.297,33 4.537,34 3.592,35 3.565,36 5.318,37 3.513,38 4.199,39 4.396,40 3.54,41 3.564,42 5.276,43 3.498,44 4.157,45 4.368,46 3.385,47 3.505,48 5.165,49 3.415,50 4.07,51 4.293,52 3.363,53 3.411,54 5.062,55 3.306,56 0.072,57 0.598,58 5.458,59 2.871,60 6.357,61 3.517,62 0.122,63 0.936,64 9.951,65 4.766,66 10.306,67 5.918,68 0.224,69 1.099,70 18.06,71 6.527,72 24.382,73 8.315,74 0.249,75 1.066,76 18.909,77 5.885,78 25.816,79 7.35,80 0.252,81 0.966,82 15.282,83 5.149,84 22.094,85 6.617,86 0.21,87 0.844,88 14.321,89 4.716,90 21.264,91 5.799,92 0.172,93 0.805,94 12.83,95 4.632,96 17.991,97 5.762,98 0.14,99 0.695,100 12.562,101 4.865,102 16.207,103 6.481,104 2,105 37,106 0.274,107 0.551,108 0.686,109 0.825,110 0.838,111 0.838,112 3.228,113 0.882,114 -6.7,115 -6.51,116 -6.04,119 47.4,125 1,142 11,143 2,144 1,147 1,161 2,166 2,172 11,174 2,175 5,178 1,180 2,183 12,187 2,188 10,191 1,193 3,196 7,200 10,205 2,208 3,213 9,216 2,218 1,221 6,225 6,230 3,233 8,238 4,243 2,246 6,250 5,255 1,258 6,263 5,271 9,275 782,276 16.654,277 16.654,278 16.654,279 16.654,280 16.654,281 14.06,282 11.313,283 9.974,284 17.017,285 13.358,286 13.358,287 13.358,288 13.358,289 13.358,290 9.548,291 16.489,292 4.791,293 14.021,294 3.683,295 2.108,296 1.337,297 0.546,298 0.474,299 0.474,300 3.932,301 1,304 1,305 1,306 572,307 2.345,310 52.882,311 209.18,314 94.217,318 1.625,319 13.24,321 1,322 0.75,323 0.83,324 0.83,325 0.5,327 0.83,328 1,329 0.68,330 50.833,331 258,332 4.609,333 3.178,334 6.718,335 4.115,336 3.169,337 4.554,338 0.657,339 10.943,340 2.998,341 4.021,342 2.973,343 5.768,344 3.609,345 2.643,346 3.617,348 7.868,349 2.554,350 3.95,351 2.716,352 5.437,353 3.509,354 2.538,355 3.535,357 7.207,358 2.464,359 3.633,360 2.518,361 5.226,362 3.194,363 2.261,364 3.051,366 6.575,367 2.103,368 3.396,369 2.276,370 4.877,371 2.955,372 2.045,373 2.691,375 5.657,376 1.771,377 3.219,378 1.744,379 4.635,380 2.713,381 1.741,382 2.556,384 4.649,385 1.688,386 2.82,387 1.347,388 4.042,389 2.322,390 1.34,391 1.97,393 3.367,394 1.314,395 2.576,396 1.168,397 3.504,398 2.066,399 1.1,400 1.612,402 2.619,403 1.059,404 2.5,405 1,406 3.414,407 2,408 1,409 1.5,411 2.275,412 1,413 2.5,414 1,415 3.293,416 2,417 1,418 1.5,420 2.136,421 1,422 2.116,423 0.995,424 3.247,425 1.721,426 0.782,427 0.988,429 1.854,430 0.724,431 1.844,432 0.601,433 3.144,434 1.454,435 0.505,436 0.678,438 1.242,439 0.473,440 1.169,441 0.358,442 2.507,443 0.77,444 -0.121,445 -0.147,447 -0.273,448 -0.09,449 0.862,450 -0.286,451 2.366,452 0.436,453 -0.504,454 -0.652,456 -1.191,457 -0.448,458 0.691,459 -0.635,460 2.124,461 0.202,462 -0.751,463 -1.014,465 -1.865,466 -0.697,467 11.714,468 0.488,469 0.465,470 0.019,471 36,472 1.5,473 20.5,474 0.854,475 15.5,476 0.646,477 14.806,478 0.617,479 23.686,480 0.623,481 23.622,482 0.984,483 7.284,484 0.303,485 4.509,486 0.188,487 0.061,489 0.29,493 0.631,494 1.039,495 0.556,496 0.824,497 0.668,498 0.781,499 0.725,500 1.198,501 0.69,502 1,503 0.697,504 0.963,505 0.963,506 1.15,507 0.977,508 1.078,509 0.912,510 1.039,511 1.385,512 1.17,513 1.015,514 0.968,515 1.177,516 0.976,517 1.097,518 0.901,519 0.671,520 0.696,521 0.84,522 0.763,523 1.216,524 1.063,525 1.11,526 1.065,527 1.223,528 1.067,529 1.226,530 0.984,531 1.043,532 1.013,533 1.245,534 1.106,535 0.662,536 1.001,537 0.782,538 1.026,539 0.609,540 1.035,541 4,542 0.067,543 2.444,544 0.944,545 1.072,546 0.525,547 0.256,548 0.266,549 0.189,550 0.091,551 7092,552 20708,553 2.187,554 36.8,556 13,559 1,564 1.666,565 2.118,566 3.403,567 -0.301,569 1,574 59.45,575 1.564,576 3.14,577 3.911,578 4.702,579 4.774,580 4.774,581 2.892,582 3.772,583 4.555,584 3.529,585 973.943,586 7.846,587 11541.2,589 1,591 1,592 199.421,593 1.099,594 4.546,595 0.148,596 0.005,597 0.066,598 0.027,599 0.037,600 0.019,601 0.01,602 0.012,603 0.009,604 0.005,605 0.338,606 0.33,607 0.88,608 0.382,609 114.92,610 0.131,611 0.054,612 0.03,613 0.006,614 -0.025,615 0.012,616 0.121,617 -0.132,618 -0.006,619 -0.141,620 0.032,621 -0.129,622 0.041,623 -0.146,624 -0.054,625 -0.139,626 0.054,627 -0.104,628 -0.262,629 -0.132,630 -0.109,631 -0.045,632 -0.171,633 -0.037,634 -0.071,635 0.156,636 0.087,637 0.212,638 0.064,639 0.179,640 -0.186,641 -0.033,642 -0.211,643 -0.145,644 -0.212,645 -0.155,646 -0.295,647 0.031,648 -0.222,649 -0.084,650 -0.362,651 -0.168,652 0.121,653 -0.083,654 0.103,655 -0.022,656 0.205,657 -0.002,658 0.953,659 1.796,660 0.875,661 21.382,662 1.007,663 1.119,664 5.466,665 29.878,666 0.729,667 3.332,668 3.638,669 3.912,670 4.174,671 4.419,672 4.443,673 4.554,674 4.71,675 4.754,676 4.82,677 6.204,678 0.699,679 335.82,680 3.332,681 4.86,682 5.707,683 6.575,684 7.441,685 8.317,686 9.192,687 10.072,688 10.952,689 11.836,690 13.2,695 1,698 1,700 3,705 1,706 11,707 3,711 5,713 22,725 1,731 1,732 38,734 22,735 2,736 27,738 41,739 18,740 17,741 3,742 9,745 4,746 5,747 1,759 17,760 1,775 1,778 14,779 4,780 1,781 6,782 1,787 5,792 0.75,801 1,808 1,809 3,812 1,835 3,840 1,843 24,851 1,853 1,864 1,866 1,874 11.333,875 6.86,876 5.25,877 2.185,878 4.014,879 1.542,880 1.039,881 4.054,882 11.418,883 3.664,884 4.307,885 4.939,886 5.563,887 6.134,888 6.406,889 6.84,890 7.306,891 7.583,892 7.96,893 1,894 35,895 8.778,897 3.703,898 7.63,899 16.807,901 13.681,903 2.13,904 51.111,908 153.024,909 122.587,910 69.164,911 39.149,915 122.587,916 192.173,917 69.164,919 2.106,920 104.239,921 72.043,922 11.036,923 2.328,924 153.024,925 39.149,926 153.024,927 191.751,929 39.149,931 153.024,935 7.313,936 116.438,937 107.148,939 153.024,940 69.164,941 161.736,944 153.024,945 18.349,946 105.403,947 18.011,948 89.138,949 153.024,950 69.164,951 161.736,953 0.576,954 0.332,955 0.18,956 0.103,957 19,958 7,959 0.098,960 4,961 1,962 1.095,963 3.78,964 195.599,965 0.095,966 21,967 99.284,973 14.973,974 6.498,975 3.222,976 0.714,977 68,978 21.426,979 13.014,983 4.325,985 18.011,986 383.924,987 38,998 38.251,999 42.512,1000 0.298,1001 0.598,1002 0.745,1003 0.896,1004 0.91,1005 0.91,1006 4.864,1007 1.1,1008 5.666,1009 3.367,1010 4.317,1011 4.994,1012 0.623,1013 6.444,1014 4.224,1015 6.074,1016 1,1017 7.197,1018 2.619,1019 3.761,1020 4.691,1022 7.273,1023 3.551,1024 7.373,1025 1,1026 8.827,1027 2.275,1028 5.872,1029 7.247,1030 0.317,1031 10.38,1032 5.687,1033 8.712,1034 0.782,1035 10.52,1036 2.136,1037 6.176,1038 7.831,1040 12.112,1041 5.88,1042 10.085,1043 0.505,1044 12.256,1045 1.854,1046 7.712,1047 9.799,1048 0.149,1049 14.73,1050 7.43,1051 11.482,1052 -0.121,1053 14.023,1054 1.242,1055 8.432,1056 10.83,1058 16.846,1059 8.053,1060 12.9,1061 -0.504,1062 15.814,1063 -0.273,1064 9.726,1065 12.537,1066 0.067,1067 19.31,1068 9.339,1069 3.169,1070 -0.751,1071 17.624,1072 -1.191,1073 10.659,1074 13.806,1076 21.589,1077 10.186,1078 2.643,1079 10.943,1080 19.45,1081 -1.865,1082 11.851,1083 15.397,1084 0.03,1085 24.003,1086 11.351,1087 2.538,1088 7.868,1089 21.289,1090 4.554,1091 12.891,1092 16.789,1094 26.348,1095 12.315,1096 2.261,1097 7.207,1098 23.139,1099 3.617,1100 14.046,1101 18.33,1102 0.013,1103 28.747,1104 13.429,1105 2.045,1106 6.575,1107 24.998,1108 3.535,1109 15.138,1110 19.784,1112 31.12,1113 14.453,1114 1.741,1115 5.657,1116 26.864,1117 3.051,1118 16.282,1119 21.305,1120 0.006,1121 33.514,1122 15.547,1123 1.34,1124 4.649,1125 28.737,1126 2.691,1127 17.402,1128 22.789,1130 35.898,1131 16.602,1132 6617,1133 11440,1134 18.781,1135 27.693,1136 40.589,1137 40.819,1138 40.832,1139 40.472,1140 40.246,1141 56.504,1142 1.315,1143 112.784,1144 38.296,1145 5.432,1146 5.178,1147 6.52,1148 5.165,1149 5.169,1150 7.554,1151 1.315,1152 18.07,1153 4.998,1154 6.588,1155 1.503,1156 1.512,1157 1.512,1158 1.499,1159 1.491,1160 2.093,1161 0.049,1162 4.177,1163 1.418,1164 4.113,1165 4.172,1166 4.096,1167 3.945,1168 5.218,1169 3.968,1170 3.911,1171 3.939,1172 3.988,1173 3.856,1174 4.94,1175 3.848,1176 3.82,1177 3.857,1178 3.755,1179 3.722,1180 4.722,1181 3.73,1182 3.41,1183 3.482,1184 3.461,1185 3.209,1186 4.555,1187 3.23,1188 3.144,1189 3.201,1190 3.237,1191 3.024,1192 4.319,1193 3.017,1194 2.854,1195 2.925,1196 2.893,1197 2.735,1198 3.923,1199 2.715,1200 2.854,1201 2.925,1202 2.687,1203 2.735,1204 3.818,1205 2.715,1206 2.85,1207 2.909,1208 2.687,1209 2.708,1210 3.674,1211 2.715,1212 0.171,1213 0.118,1214 0.249,1215 0.152,1216 0.117,1217 4.609,1218 0.169,1219 3.178,1220 0.024,1221 6.718,1222 0.405,1223 4.115,1224 0.111,1225 3.169,1226 4.554,1227 0.657,1228 10.943,1229 2.998,1230 1.934,1231 1.901,1232 2.032,1233 2.085,1234 1.158,1235 2.062,1236 1.901,1237 1.876,1238 2.008,1239 1.98,1240 1.104,1241 1.995,1242 1.787,1243 1.744,1244 1.875,1245 1.922,1246 0.93,1247 1.922,1248 1.261,1249 1.195,1250 1.476,1251 1.496,1252 0.649,1253 1.498,1254 1.191,1255 1.132,1256 1.287,1257 1.446,1258 0.364,1259 1.396,1260 0.886,1261 0.821,1262 1.181,1263 1.071,1264 0.218,1265 1.107,1266 0.886,1267 0.821,1268 1.181,1269 1.062,1270 0.218,1271 1.107,1272 0.863,1273 0.812,1274 0.988,1275 1.062,1276 0.057,1277 1.062,1278 4.007,1280 5.313,1281 2.398,1282 6.817,1283 4.727,1284 8.406,1285 6.843,1286 10.041,1289 5.907,1294 0.665,1296 3.31,1305 26.569,1306 59.45,1307 119.314,1308 148.613,1309 178.666,1310 181.421,1311 181.421,1312 25.934,1313 7.404,1314 55.11,1315 55.11,1316 23,1317 12.371,1318 4.524,1319 3.585,1320 33.99,1321 90,1322 94,1323 0.186,1324 166.889,1325 270.73,1326 398.97,1327 16895,1328 2.6,1329 16.355,1330 0.681,1331 0.562,1332 16.855,1333 13.481,1334 11.793,1335 0.437,1336 0.294,1337 7.503,1338 11.144,1339 7.332,1340 6.082,1341 12.082,1342 7.935,1343 10.446,1344 0.282,1345 0.157,1346 10.854,1347 5.795,1348 8.951,1349 0.183,1350 0.08,1351 9.24,1352 3.934,1353 7.361,1354 0.115,1355 0.04,1356 7.528,1357 2.571,1358 6.236,1359 0.076,1360 0.022,1361 6.472,1362 1.824,1363 0.294,1364 76.24,1365 0.231,1366 23.639,1367 0.504,1368 128,1369 359.117,1370 153.649,1371 388.359,1372 536.7,1373 364,1374 150,1375 393.885,1376 171.915,1377 407.85,1378 593.88,1379 385,1380 5.1}
{0 CHEMBL1419458,1 1.745,2 10.607,3 1.666,4 2.776,5 104.153,6 9.156,7 0.71,8 3.886,9 4.007,10 3.62,11 3.366,12 5.241,13 3.412,14 4.287,15 4.427,16 3.93,17 3.702,18 5.592,19 3.738,20 4.444,21 4.62,22 3.945,23 3.739,24 5.773,25 3.751,26 4.497,27 4.689,28 3.983,29 3.694,30 5.827,31 3.736,32 4.46,33 4.644,34 3.993,35 3.674,36 5.824,37 3.741,38 4.447,39 4.612,40 3.938,41 3.658,42 5.872,43 3.717,44 4.486,45 4.668,46 3.856,47 3.57,48 5.984,49 3.621,50 4.325,51 4.535,52 3.543,53 3.433,54 5.637,55 3.433,56 0.255,57 0.729,58 5.328,59 2.757,60 13.042,61 2.935,62 0.334,63 1.057,64 8.663,65 4.306,66 20.002,67 4.777,68 0.531,69 1.125,70 12.926,71 5.244,72 40.17,73 6.418,74 0.618,75 1.144,76 15.088,77 4.953,78 36.881,79 6.014,80 0.556,81 1.127,82 13.716,83 4.245,84 39.481,85 4.699,86 0.525,87 1.072,88 12.623,89 4.425,90 38.222,91 4.524,92 0.796,93 1.005,94 15.482,95 4.549,96 74.037,97 4.665,98 0.644,99 0.854,100 14.652,101 4.222,102 62.87,103 4.628,104 5,105 42,106 0.299,107 0.644,108 0.766,109 0.832,110 0.843,111 0.843,112 3.375,113 0.781,114 -3.91,115 -3.86,116 -3.67,119 41.5,142 7,143 2,145 2,146 1,147 2,152 1,155 1,158 1,163 1,164 1,165 1,166 4,168 1,172 8,174 3,175 4,177 1,178 2,183 7,187 5,188 7,190 3,191 4,193 1,196 3,199 6,200 8,202 1,203 3,205 3,212 5,213 13,215 1,216 1,218 3,223 1,224 1,225 15,228 2,230 4,235 2,237 3,238 12,240 1,241 3,242 1,243 3,245 1,246 1,248 2,249 3,250 7,252 1,253 1,255 1,258 4,260 1,262 1,263 1,271 6,275 1370,276 19.38,277 19.38,278 19.38,279 19.38,280 19.38,281 16.433,282 12.198,283 11.753,284 19.681,285 15.326,286 15.326,287 15.326,288 15.326,289 15.326,290 11.024,291 8.953,292 5.577,293 15.785,294 3.613,295 1.601,296 0.888,297 0.506,298 0.439,299 0.439,300 4.072,303 1,304 1,305 1,306 650,307 3.082,310 160.973,311 189.575,318 1.592,319 27.257,321 1,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 0.5,329 0.55,330 62.5,331 297,332 4.651,333 3.615,334 7.009,335 4.26,336 3.297,337 4.386,338 0.98,339 11.974,340 3.177,341 4.17,342 3.223,343 6.283,344 3.76,345 2.801,346 3.774,348 9.299,349 2.677,350 3.947,351 2.74,352 5.691,353 3.519,354 2.53,355 3.51,357 7.431,358 2.5,359 3.819,360 2.599,361 5.339,362 3.43,363 2.43,364 3.305,366 6.961,367 2.424,368 3.474,369 2.18,370 5.099,371 3.018,372 2.045,373 2.793,375 5.757,376 1.985,377 3.08,378 1.82,379 4.394,380 2.536,381 1.593,382 2.266,384 3.956,385 1.506,386 2.929,387 1.7,388 3.906,389 2.476,390 1.495,391 2.105,393 3.267,394 1.46,395 2.768,396 1.451,397 3.741,398 2.306,399 1.353,400 1.837,402 3.095,403 1.283,404 2.564,405 1.309,406 3.639,407 2.104,408 1.137,409 1.587,411 2.611,412 1.097,413 2.532,414 1.202,415 3.437,416 2,417 1,418 1.5,420 2.196,421 1,422 2.5,423 1,424 3.396,425 1.984,426 1,427 1.5,429 2.136,430 0.983,431 2.5,432 1,433 3.247,434 1.941,435 0.966,436 1.417,438 2.136,439 0.936,440 2.284,441 0.857,442 3.247,443 1.762,444 0.775,445 1.158,447 2.015,448 0.762,449 2.181,450 0.741,451 3.183,452 1.609,453 0.646,454 0.98,456 1.659,457 0.618,458 1.207,459 0.488,460 2.617,461 0.857,462 -0.14,463 -0.175,465 -0.321,466 -0.139,467 12.767,468 0.456,469 0.521,470 0.019,471 42.25,472 1.509,473 23.5,474 0.839,475 18.75,476 0.67,477 16.948,478 0.605,479 28.633,480 0.698,481 32.608,482 1.165,483 8.936,484 0.319,485 4.801,486 0.171,487 0.057,489 0.305,493 0.609,494 1.014,495 0.619,496 0.868,497 0.671,498 0.769,499 0.699,500 1.213,501 0.735,502 1.107,503 0.672,504 0.966,505 0.613,506 1.04,507 0.834,508 1.071,509 0.804,510 1.034,511 0.91,512 1.044,513 0.844,514 0.946,515 0.833,516 0.892,517 1.189,518 1.073,519 0.885,520 0.879,521 1.17,522 0.795,523 1.401,524 1.233,525 1.058,526 1.135,527 1.578,528 1.023,529 1.532,530 0.963,531 1.235,532 0.957,533 1.861,534 1.011,535 1.531,536 0.827,537 1.341,538 0.818,539 1.748,540 0.999,541 3.5,542 0.079,543 2.889,544 1.653,545 1.367,546 0.9,547 0.565,548 0.316,549 0.206,550 0.13,551 9905,552 32963,553 2.137,554 31.7,556 7,558 3,559 3,564 1.714,565 2.049,566 3.332,567 1.059,568 1,569 1,574 71.538,575 1.745,576 3.757,577 4.47,578 4.851,579 4.919,580 4.919,581 2.727,582 4.522,583 4.775,584 3.546,585 1340.31,586 8.326,587 17709.9,588 1,589 1,591 1,592 219.66,593 1.198,594 4.76,595 0.113,596 0.004,597 0.069,598 0.04,599 0.033,600 0.021,601 0.014,602 0.009,603 0.008,604 0.006,605 0.316,606 0.33,607 1,608 0.444,609 140.017,610 0.175,611 0.15,612 0.047,613 0.082,614 -0.054,615 0.037,616 0.058,617 -0.099,618 0.002,619 -0.14,620 -0.012,621 -0.101,622 0.255,623 -0.018,624 0.059,625 -0.09,626 0.119,627 -0.086,628 0.107,629 -0.044,630 0.119,631 -0.014,632 0.112,633 0.035,634 -0.139,635 -0.033,636 0.031,637 0.011,638 -0.068,639 0.067,640 -0.261,641 -0.215,642 -0.16,643 -0.211,644 -0.121,645 -0.158,646 -0.126,647 -0.02,648 -0.214,649 -0.04,650 -0.059,651 -0.122,652 -0.293,653 0.085,654 -0.265,655 0.144,656 -0.32,657 -0.019,658 2.217,659 5.653,660 0.786,661 27.495,662 1.033,663 1.14,664 2.678,665 7.17,666 0.695,667 3.466,668 3.761,669 4.06,670 4.344,671 4.5,672 4.575,673 4.691,674 4.762,675 4.787,676 4.762,677 6.449,678 0.699,679 375.39,680 3.466,681 4.99,682 5.844,683 6.718,684 7.593,685 8.481,686 9.368,687 10.263,688 11.158,689 12.059,690 22,694 1,697 1,698 1,699 1,700 5,706 9,707 5,709 1,711 6,712 1,713 22,724 1,732 41,734 24,735 1,736 31,738 44,739 17,740 15,741 1,742 5,743 2,745 4,746 4,748 1,759 17,763 2,768 1,770 1,771 1,772 1,774 1,775 1,778 13,779 10,780 3,781 11,787 9,792 1,793 2,802 1,808 2,809 2,835 4,843 28,844 1,853 1,864 1,867 4.9,870 1,872 1,874 13.667,875 7.4,876 6.25,877 2.168,878 3.566,879 1.488,880 1.002,881 4.975,882 10.873,883 3.807,884 4.401,885 5.019,886 5.627,887 6.051,888 6.353,889 6.768,890 7.135,891 7.442,892 7.673,893 0.857,894 41,895 10.202,897 4.332,898 7.952,899 18.709,901 14.694,903 2.452,904 68.667,908 117.711,909 114.721,910 158.407,912 35.106,915 114.721,916 152.817,917 158.407,919 17.888,920 99.231,921 163.393,922 55.623,923 7.413,924 82.398,926 117.711,927 273.128,928 35.106,931 117.711,932 35.106,935 57.179,936 117.719,937 98.23,939 117.711,940 193.513,941 114.721,944 117.711,945 21.245,946 95.253,947 17.888,948 173.848,949 117.711,950 193.513,951 114.721,953 0.57,954 0.339,955 0.192,956 0.1,957 20,958 8,959 0.114,960 5,962 1,963 4.019,964 244.324,966 22,967 126.606,973 17.675,974 7.882,975 3.718,977 191.736,978 15.843,979 19.138,981 4.631,983 2.025,984 1.294,985 50.785,986 425.945,987 44,992 12.653,994 1.492,995 3.942,996 -0.551,998 42.338,999 46.734,1000 0.326,1001 0.701,1002 0.834,1003 0.906,1004 0.918,1005 0.918,1006 5.007,1007 1.353,1008 5.802,1009 3.267,1010 4.443,1011 5.088,1012 1.072,1013 6.613,1014 4.385,1015 6.209,1016 1.137,1017 7.353,1018 3.095,1019 3.892,1020 4.677,1022 7.557,1023 3.804,1024 7.502,1025 1,1026 9.016,1027 2.611,1028 6.014,1029 7.27,1030 1.045,1031 10.724,1032 5.894,1033 8.839,1034 1,1035 10.751,1036 2.196,1037 6.399,1038 7.805,1040 12.605,1041 6.239,1042 10.213,1043 0.966,1044 12.535,1045 2.136,1046 7.919,1047 9.751,1048 1.019,1049 15.284,1050 7.73,1051 11.616,1052 0.775,1053 14.353,1054 2.136,1055 8.731,1056 10.739,1058 17.522,1059 8.496,1060 13.041,1061 0.646,1062 16.196,1063 2.015,1064 10.021,1065 12.408,1066 0.993,1067 20.058,1068 9.754,1069 3.297,1070 -0.14,1071 18.057,1072 1.659,1073 11.03,1074 13.627,1076 22.438,1077 10.717,1078 2.801,1079 11.974,1080 19.932,1081 -0.321,1082 12.237,1083 15.173,1084 0.967,1085 24.931,1086 11.888,1087 2.53,1088 9.299,1089 21.819,1090 4.386,1091 13.337,1092 16.51,1094 27.369,1095 12.945,1096 2.43,1097 7.431,1098 23.715,1099 3.774,1100 14.518,1101 18.005,1102 0.942,1103 29.85,1104 14.088,1105 2.045,1106 6.961,1107 25.618,1108 3.51,1109 15.661,1110 19.405,1112 32.311,1113 15.19,1114 1.593,1115 5.757,1116 27.527,1117 3.305,1118 16.837,1119 20.88,1120 0.917,1121 34.79,1122 16.328,1123 1.495,1124 3.956,1125 29.442,1126 2.793,1127 18.001,1128 22.312,1130 37.263,1131 17.453,1132 9360,1133 17295,1134 21.266,1135 28.483,1136 47.058,1137 47.496,1138 47.35,1139 46.133,1140 46.133,1141 64.233,1142 1.96,1143 128.984,1144 44.817,1145 5.452,1146 5.615,1147 6.811,1148 5.321,1149 5.297,1150 7.386,1151 1.96,1152 19.471,1153 5.177,1154 9.36,1155 1.518,1156 1.532,1157 1.527,1158 1.488,1159 1.488,1160 2.072,1161 0.063,1162 4.161,1163 1.446,1164 4.056,1165 4.103,1166 4.041,1167 3.916,1168 7.43,1169 3.931,1170 3.878,1171 3.921,1172 3.821,1173 3.774,1174 5.444,1175 3.779,1176 3.808,1177 3.847,1178 3.762,1179 3.612,1180 5.029,1181 3.65,1182 3.64,1183 3.686,1184 3.612,1185 3.37,1186 4.938,1187 3.428,1188 3.347,1189 3.435,1190 3.299,1191 3.028,1192 4.848,1193 3.08,1194 3.001,1195 3.046,1196 2.952,1197 2.757,1198 4.705,1199 2.79,1200 2.854,1201 2.935,1202 2.687,1203 2.735,1204 4.612,1205 2.715,1206 2.854,1207 2.925,1208 2.687,1209 2.735,1210 3.744,1211 2.715,1212 0.15,1213 0.117,1214 0.226,1215 0.137,1216 0.106,1217 4.651,1218 0.141,1219 3.615,1220 0.032,1221 7.009,1222 0.386,1223 4.26,1224 0.102,1225 3.297,1226 4.386,1227 0.98,1228 11.974,1229 3.177,1230 1.919,1231 1.893,1232 2.025,1233 2.008,1234 1.118,1235 2.011,1236 1.844,1237 1.807,1238 1.953,1239 1.973,1240 0.976,1241 1.97,1242 1.536,1243 1.496,1244 1.595,1245 1.757,1246 0.684,1247 1.716,1248 1.416,1249 1.364,1250 1.49,1251 1.718,1252 0.388,1253 1.654,1254 1.133,1255 1.061,1256 1.293,1257 1.526,1258 0.218,1259 1.421,1260 1.018,1261 0.942,1262 1.181,1263 1.373,1264 0.218,1265 1.333,1266 0.886,1267 0.821,1268 1.181,1269 1.228,1270 0.218,1271 1.119,1272 0.886,1273 0.821,1274 1.147,1275 1.062,1276 0.083,1277 1.107,1278 4.143,1280 5.442,1281 3.045,1282 6.936,1283 5.352,1284 8.52,1285 7.413,1286 10.156,1292 5.764,1296 2.434,1305 28.676,1306 71.538,1307 154.034,1308 183.253,1309 198.905,1310 201.66,1311 201.66,1312 43.853,1313 7.307,1314 150,1315 150,1316 22,1317 12.582,1318 4.644,1319 3.807,1320 42.273,1321 103,1322 125,1323 0.192,1324 178.279,1325 294.52,1326 426.761,1327 13887,1329 19.347,1330 0.691,1331 0.511,1332 19.347,1333 14.298,1334 13.737,1335 0.443,1336 0.26,1337 7.895,1338 12.949,1339 7.808,1340 6.514,1341 13.737,1342 8.068,1343 11.865,1344 0.282,1345 0.131,1346 11.865,1347 5.517,1348 10.222,1349 0.179,1350 0.065,1351 10.222,1352 3.715,1353 8.698,1354 0.114,1355 0.032,1356 8.698,1357 2.444,1358 6.539,1359 0.073,1360 0.017,1361 6.539,1362 1.49,1363 0.299,1364 88.097,1365 0.217,1366 26.705,1367 0.536,1368 146,1369 526.632,1370 166.468,1371 510.206,1372 700.16,1373 474,1374 172,1375 544.982,1376 195.659,1377 539.88,1378 775.24,1379 505,1380 5.1}
{0 CHEMBL1421,1 1.781,2 14.515,3 3.439,4 11.829,5 130.334,6 8.272,7 0.472,8 4.186,9 4.31,10 3.868,11 3.71,12 5.289,13 3.681,14 4.723,15 4.911,16 4.273,17 4.092,18 5.802,19 4.04,20 4.941,21 5.151,22 4.314,23 4.218,24 5.982,25 4.141,26 5.006,27 5.228,28 4.28,29 4.257,30 6.04,31 4.143,32 5.048,33 5.295,34 4.247,35 4.219,36 6.107,37 4.099,38 4.913,39 5.139,40 4.3,41 4.148,42 5.979,43 4.032,44 4.818,45 5.046,46 4.105,47 4.07,48 5.861,49 3.938,50 4.729,51 4.975,52 3.899,53 3.905,54 5.736,55 3.791,56 0.095,57 0.941,58 11.465,59 5.069,60 10.998,61 6.429,62 0.43,63 1.487,64 24.882,65 8.224,66 31.59,67 10.997,68 0.6,69 1.695,70 35.684,71 10.349,72 45.533,73 13.753,74 0.546,75 1.729,76 37.657,77 12.51,78 51.32,79 16.654,80 0.76,81 1.693,82 45.193,83 13.007,84 79.856,85 17.006,86 0.671,87 1.578,88 38.884,89 11.058,90 68.555,91 13.89,92 0.533,93 1.499,94 38.483,95 11.075,96 49.188,97 13.638,98 0.487,99 1.324,100 32.202,101 9.003,102 43.612,103 11.771,104 28,105 50,106 0.289,107 0.627,108 0.771,109 0.863,110 0.863,111 0.863,112 3.531,113 0.988,114 -4.5,115 -4.42,116 -4.17,119 37.3,120 2,125 6,142 4,143 1,144 2,145 1,147 2,149 1,152 1,158 1,162 1,172 4,174 2,175 6,178 3,180 3,183 4,187 1,188 1,191 1,193 5,196 4,199 3,200 4,203 3,205 2,208 5,212 1,213 5,216 1,217 1,221 1,224 2,225 5,228 1,233 5,237 2,238 6,241 2,243 2,246 1,250 1,253 1,255 5,262 3,263 3,266 2,268 2,271 1,275 2001,276 22.195,277 22.195,278 22.195,279 22.195,280 22.195,281 19.929,282 32.957,283 13.115,284 23.048,285 17.742,286 17.742,287 17.742,288 17.742,289 17.742,290 14.303,291 53.106,292 6.184,293 19.239,294 4.101,295 2.018,296 1.131,297 0.568,298 0.568,299 0.568,300 4.224,301 1,305 1,306 1026,307 3.464,310 97.808,311 357.583,318 2.349,319 33.625,322 1,323 0.67,324 1,325 1,326 0.5,327 1,328 1,329 0.88,330 71.833,331 479,332 4.372,333 3.598,334 6.427,335 3.97,336 3.025,337 4.012,338 1.058,339 9.81,340 2.855,341 4.278,342 3.209,343 6.209,344 3.89,345 2.963,346 3.905,347 0.8,348 9.352,349 2.742,350 4.182,351 3.187,352 6.053,353 3.729,354 2.816,355 3.795,356 0.8,357 8.741,358 2.583,359 3.731,360 2.874,361 5.56,362 3.499,363 2.572,364 2.948,365 0.4,366 7.535,367 2.377,368 3.573,369 2.712,370 5.322,371 3.261,372 2.344,373 2.8,375 6.886,376 2.131,377 3.377,378 2.486,379 5.139,380 3.091,381 2.175,382 2.481,384 6.287,385 1.978,386 3.232,387 2.379,388 4.841,389 2.799,390 1.879,391 2.478,393 5.178,394 1.722,395 3.232,396 2.119,397 4.717,398 2.782,399 1.854,400 2.446,402 5.104,403 1.638,404 2.898,405 1.66,406 4.254,407 2.451,408 1.484,409 2.064,411 3.876,412 1.433,413 2.623,414 1.578,415 4.184,416 2.329,417 1.39,418 1.628,420 3.748,421 1.3,422 2.572,423 1.558,424 3.789,425 2.079,426 1.12,427 1.553,429 2.808,430 1.051,431 2.17,432 1.399,433 3.414,434 1.967,435 1.025,436 1.055,438 2.275,439 0.965,440 2.062,441 1.146,442 3.275,443 1.935,444 1,445 1.003,447 1.824,448 0.926,449 2,450 1.064,451 3.163,452 1.528,453 0.688,454 1,456 1.676,457 0.566,458 1.58,459 0.727,460 2.952,461 1.216,462 0.302,463 0.362,465 0.714,466 0.248,467 16.014,468 0.485,469 0.835,470 0.025,471 41.75,472 1.265,473 19,474 0.576,475 22.75,476 0.689,477 31.371,478 0.951,479 36.186,480 0.613,481 31.424,482 0.952,483 8.116,484 0.246,485 7.807,486 0.237,487 0.149,489 0.331,493 0.871,494 1.516,495 0.673,496 0.997,497 0.729,498 0.939,499 0.846,500 1.116,501 0.718,502 0.852,503 0.638,504 0.832,505 1.049,506 1.094,507 0.974,508 0.982,509 0.885,510 0.963,511 0.792,512 1.051,513 0.939,514 1.061,515 0.784,516 1.089,517 1.031,518 0.858,519 0.993,520 0.89,521 0.99,522 0.89,523 1.204,524 0.956,525 0.805,526 0.815,527 1.435,528 0.852,529 0.825,530 1.14,531 1.308,532 1.304,533 0.675,534 1.059,535 0.943,536 1.085,537 1.039,538 1.08,539 0.788,540 0.962,541 7.5,542 0.133,543 3.556,544 2.222,545 1.899,546 1.181,547 0.688,548 0.518,549 0.28,550 0.313,551 16711,552 48685,553 2.061,554 44.1,555 3,556 16,558 1,559 3,560 3,564 1.749,565 1.922,566 3.77,567 0.922,574 105.106,575 1.781,576 3.865,577 4.752,578 5.315,579 5.315,580 5.315,581 3.242,582 4.62,583 5.014,584 3.973,585 2097.49,586 8.765,587 32631.5,592 347.076,593 1.434,594 4.971,595 0.208,596 0.004,597 0.071,598 0.044,599 0.04,600 0.026,601 0.016,602 0.013,603 0.008,604 0.01,605 0.443,606 0.17,607 0.88,608 0.871,609 178.143,610 -0.103,611 -0.284,612 0.036,613 -0.029,614 -0.079,615 -0.005,616 0.046,617 0.031,618 0.118,619 0.1,620 0.062,621 0.096,622 -0.089,623 -0.01,624 -0.037,625 -0.021,626 -0.048,627 -0.022,628 0.071,629 -0.045,630 -0.009,631 -0.095,632 0.049,633 -0.103,634 0.004,635 0.083,636 0.046,637 0.094,638 0.05,639 0.101,640 -0.092,641 0.057,642 0.17,643 0.214,644 -0.151,645 0.114,646 0.027,647 -0.048,648 -0.116,649 -0.117,650 0.047,651 -0.054,652 -0.055,653 -0.037,654 -0.057,655 -0.038,656 0.005,657 0.009,658 1.933,659 5.693,660 0.697,661 39.278,662 1.01,663 1.134,664 3.268,665 10.678,666 0.679,667 3.611,668 3.932,669 4.174,670 4.419,671 4.595,672 4.654,673 4.727,674 4.868,675 4.963,676 5.03,677 8.272,678 0.642,679 488.07,680 3.611,681 5.153,682 5.994,683 6.866,684 7.721,685 8.595,686 9.455,687 10.33,688 11.193,689 12.069,690 11.9,693 1,696 1,697 1,698 1,700 3,706 5,707 3,710 1,711 8,713 17,720 1,725 1,727 1,731 1,732 59,734 18,735 1,736 36,738 62,739 22,740 13,741 3,742 3,743 1,745 4,746 4,747 1,751 3,759 14,760 8,763 1,768 1,772 1,778 26,779 9,780 3,781 11,782 2,787 7,792 1,793 2,794 1,803 1,808 1,809 3,831 1,833 1,835 4,837 1,839 2,840 1,843 33,850 1,851 6,853 2,857 2,861 1,866 1,867 3.4,868 1,870 1,874 17.167,875 11.093,876 7.278,877 3.454,878 3.184,879 1.4,880 0.966,881 7.884,882 11.14,883 3.839,884 4.41,885 4.923,886 5.448,887 5.849,888 6.035,889 6.261,890 6.662,891 7.016,892 7.296,893 0.9,894 50,895 12.193,897 5.129,898 7.771,899 23.249,901 18.825,903 2.271,904 74.944,908 270.735,909 129.4,910 92.627,911 39.149,912 67.828,914 31.278,915 98.122,916 377.712,917 92.627,918 17.65,919 28.539,920 80.588,921 91.977,922 45.578,923 6.014,924 290.242,925 39.149,926 270.735,927 190.749,928 67.828,929 70.426,931 273.063,932 25.145,933 42.683,935 76.873,936 61.191,937 89.505,938 31.278,939 270.735,940 160.455,941 168.548,944 270.735,945 64.797,946 70.851,947 36.022,948 157.334,949 270.735,950 160.455,951 168.548,953 0.58,954 0.336,955 0.181,956 0.095,957 23,958 11,959 0.113,960 7,962 1,963 4.446,964 295.833,966 23,967 157.71,969 1,973 23.984,974 10.847,975 6.05,977 160.455,978 8.899,979 13.38,982 1.238,983 5.123,985 78.705,986 599.738,987 45.5,992 12.693,996 -0.267,998 59.603,999 66.923,1000 0.303,1001 0.657,1002 0.808,1003 0.903,1004 0.903,1005 0.903,1006 5.083,1007 1.854,1008 5.979,1009 5.178,1010 4.615,1011 5.097,1012 1.701,1013 6.765,1014 4.459,1015 6.275,1016 1.484,1017 7.525,1018 5.104,1019 4.205,1020 4.89,1021 0.57,1022 7.582,1023 3.955,1024 7.573,1025 1.39,1026 9.164,1027 3.876,1028 6.192,1029 7.225,1030 1.5,1031 10.652,1032 5.89,1033 8.9,1034 1.12,1035 10.857,1036 3.748,1037 6.567,1038 7.811,1039 0.479,1040 12.26,1041 6.171,1042 10.257,1043 1.025,1044 12.583,1045 2.808,1046 8.028,1047 9.634,1048 1.472,1049 14.832,1050 7.584,1051 11.634,1052 1,1053 14.333,1054 2.275,1055 8.766,1056 10.595,1057 0.346,1058 16.784,1059 8.236,1060 13.027,1061 0.688,1062 16.099,1063 1.824,1064 10.009,1065 12.196,1066 1.501,1067 19.165,1068 9.429,1069 3.025,1070 0.302,1071 17.878,1072 1.676,1073 10.924,1074 13.348,1075 0.237,1076 21.277,1077 10.265,1078 2.963,1079 9.81,1080 19.668,1081 0.714,1082 12.072,1083 14.841,1084 1.556,1085 23.582,1086 11.36,1087 2.816,1088 9.352,1089 21.465,1090 4.012,1091 13.074,1092 16.092,1093 0.158,1094 25.769,1095 12.288,1096 2.572,1097 8.741,1098 23.27,1099 3.905,1100 14.182,1101 17.529,1102 1.626,1103 28.043,1104 13.339,1105 2.344,1106 7.535,1107 25.08,1108 3.795,1109 15.226,1110 18.834,1111 0.104,1112 30.267,1113 14.314,1114 2.175,1115 6.886,1116 26.894,1117 2.948,1118 16.319,1119 20.242,1120 1.706,1121 32.531,1122 15.348,1123 1.879,1124 6.287,1125 28.713,1126 2.8,1127 17.383,1128 21.575,1129 0.068,1130 34.773,1131 16.347,1132 15991,1133 27529,1134 23.868,1135 40.068,1136 53.852,1137 54.91,1138 55.262,1139 53.389,1140 53.272,1141 67.06,1142 6.117,1143 151.631,1144 49.029,1145 5.372,1146 5.598,1147 6.197,1148 5.109,1149 5.025,1150 7.012,1151 2.117,1152 16.37,1153 4.855,1154 17.595,1155 1.496,1156 1.525,1157 1.535,1158 1.483,1159 1.48,1160 1.863,1161 0.17,1162 4.212,1163 1.362,1164 3.993,1165 4.038,1166 4.246,1167 3.912,1168 7.429,1169 3.896,1170 3.92,1171 3.959,1172 4.011,1173 3.82,1174 6.456,1175 3.802,1176 3.818,1177 3.859,1178 3.872,1179 3.722,1180 5.005,1181 3.706,1182 3.72,1183 3.768,1184 3.641,1185 3.54,1186 4.93,1187 3.553,1188 3.421,1189 3.49,1190 3.369,1191 3.194,1192 4.789,1193 3.196,1194 3.274,1195 3.332,1196 3.265,1197 3.052,1198 4.361,1199 3.062,1200 3.176,1201 3.256,1202 3.233,1203 3.035,1204 4.336,1205 3.014,1206 3.148,1207 3.223,1208 2.993,1209 2.957,1210 4.037,1211 2.958,1212 0.121,1213 0.1,1214 0.179,1215 0.11,1216 0.084,1217 4.372,1218 0.111,1219 3.598,1220 0.029,1221 6.427,1222 0.273,1223 3.97,1224 0.079,1225 3.025,1226 4.012,1227 1.058,1228 9.81,1229 2.855,1230 1.911,1231 1.888,1232 2.006,1233 2.062,1234 1.314,1235 2.049,1236 1.849,1237 1.791,1238 2.005,1239 1.998,1240 1.136,1241 2.007,1242 1.692,1243 1.628,1244 1.843,1245 1.911,1246 0.964,1247 1.898,1248 1.495,1249 1.496,1250 1.677,1251 1.655,1252 0.854,1253 1.659,1254 1.385,1255 1.315,1256 1.545,1257 1.646,1258 0.825,1259 1.631,1260 1.298,1261 1.238,1262 1.532,1263 1.521,1264 0.668,1265 1.532,1266 1.204,1267 1.129,1268 1.513,1269 1.407,1270 0.605,1271 1.459,1272 1.153,1273 1.064,1274 1.513,1275 1.376,1276 0.593,1277 1.429,1278 4.29,1280 5.609,1281 2.398,1282 7.111,1283 4.595,1284 8.696,1285 6.581,1286 10.323,1288 3.742,1289 6.22,1293 9.128,1294 4.286,1296 6.061,1300 4.441,1305 37.862,1306 105.106,1307 228.043,1308 280.347,1309 313.566,1310 313.566,1311 313.566,1312 60.808,1313 7.956,1314 106.51,1315 134.75,1316 23,1317 12.611,1318 4.248,1319 3.392,1320 54.607,1321 165,1322 182,1323 0.16,1324 240.898,1325 411.56,1326 579.551,1327 36058,1328 1.7,1329 23.372,1330 0.708,1331 0.608,1332 24.225,1333 20.08,1334 15.923,1335 0.442,1336 0.329,1337 10.585,1338 14.517,1339 10.203,1340 8.418,1341 16.62,1342 11.853,1343 14.445,1344 0.289,1345 0.184,1346 15.485,1347 9.189,1348 11.81,1349 0.185,1350 0.103,1351 12.975,1352 6.588,1353 9.89,1354 0.121,1355 0.056,1356 11.004,1357 4.619,1358 7.523,1359 0.077,1360 0.029,1361 8.334,1362 2.857,1363 0.258,1364 107.355,1365 0.205,1366 31.192,1367 0.419,1368 172,1369 521.84,1370 232.562,1371 553.559,1372 745.38,1373 518,1374 200,1375 507.292,1376 253.281,1377 537.185,1378 787.64,1379 505,1380 5.1}
{0 CHEMBL1461728,1 1.71,2 8.053,3 2.464,4 6.071,5 69.544,6 8.802,7 0.762,8 3.511,9 3.621,10 3.211,11 3.099,12 4.792,13 3.112,14 3.955,15 4.078,16 3.558,17 3.456,18 5.282,19 3.458,20 4.17,21 4.344,22 3.508,23 3.476,24 5.469,25 3.454,26 4.139,27 4.353,28 3.345,29 3.277,30 5.434,31 3.259,32 3.916,33 4.118,34 3.209,35 3.072,36 5.471,37 3.06,38 3.705,39 3.88,40 3.014,41 3.04,42 4.987,43 3.011,44 3.689,45 3.874,46 3.046,47 3.006,48 5.059,49 2.968,50 3.589,51 3.793,52 2.803,53 2.824,54 4.856,55 2.778,56 0.094,57 0.51,58 3.986,59 2.322,60 6.654,61 2.464,62 0.161,63 0.785,64 6.694,65 3.762,66 12.969,67 4.132,68 0.282,69 0.917,70 10.998,71 4.913,72 32.686,73 5.369,74 0.335,75 0.814,76 12.854,77 4.621,78 39.805,79 5.315,80 0.478,81 0.647,82 10.744,83 3.79,84 71.37,85 4.292,86 0.209,87 0.536,88 7.359,89 3.121,90 28.495,91 3.34,92 0.209,93 0.536,94 7.432,95 3.333,96 22.742,97 4.087,98 0.187,99 0.54,100 7.119,101 3.033,102 26.693,103 3.424,104 5,105 29,106 0.321,107 0.617,108 0.785,109 0.913,110 0.913,111 0.913,112 3.01,113 0.818,114 -4.09,115 -4.04,116 -3.82,119 48.3,142 7,143 2,144 2,145 1,152 1,158 1,168 1,172 6,175 2,178 1,180 5,183 6,188 4,193 6,196 4,200 4,205 1,208 2,213 3,216 1,217 1,218 1,221 6,233 6,237 1,238 1,241 1,243 1,246 4,250 2,255 2,258 2,263 1,268 1,275 392,276 12.878,277 12.878,278 12.878,279 12.878,280 12.878,281 10.873,282 9.147,283 7.624,284 13.037,285 10.382,286 10.382,287 10.382,288 10.382,289 10.382,290 7.381,291 11.354,292 3.642,293 10.643,294 3.147,295 1.574,296 0.678,300 3.689,304 1,305 1,306 334,307 2.55,310 43.374,311 107.377,314 74.713,318 1.219,319 22.862,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 42,331 153,332 4.43,333 3.577,334 6.202,335 3.947,336 2.963,337 4.366,338 1.058,339 9.289,340 2.912,341 4.207,342 2.947,343 6.068,344 3.82,345 2.825,346 3.793,348 8.769,349 2.806,350 3.713,351 2.879,352 5.279,353 3.298,354 2.343,355 3.12,357 6.757,358 2.23,359 3.471,360 2.324,361 4.953,362 3.039,363 2.072,364 2.807,366 5.746,367 1.985,368 3.034,369 1.9,370 4.369,371 2.517,372 1.534,373 2.301,375 4.217,376 1.507,377 2.818,378 1.534,379 3.98,380 2.327,381 1.341,382 1.914,384 3.28,385 1.308,386 2.603,387 1.192,388 3.472,389 2.097,390 1.122,391 1.65,393 2.516,394 1.091,395 2.524,396 1.131,397 3.434,398 2,399 1,400 1.481,402 2.356,403 0.995,404 1.949,405 0.633,406 3.049,407 1.433,408 0.462,409 0.681,411 1.116,412 0.447,413 1.149,414 0.284,415 2.732,416 0.753,417 -0.239,418 -0.312,420 -0.636,421 -0.235,422 0.944,423 0.19,424 2.264,425 0.498,426 -0.408,427 -0.516,429 -0.91,430 -0.353,431 0.694,432 -0.462,433 2,434 0.225,435 -0.785,436 -1.092,438 -2.071,439 -0.783,440 0.629,441 -0.769,442 1.926,443 0.139,444 -0.86,445 -1.298,447 -2.36,448 -0.86,449 0.477,450 -0.916,451 1.605,452 -0.005,453 -1,454 -1.473,456 -2.513,457 -0.998,458 -0.04,459 -1.127,460 1.508,461 -0.418,462 -1.344,463 -1.815,465 -3.392,466 -1.237,467 8.819,468 0.464,469 0.452,470 0.024,471 28,472 1.474,473 16,474 0.842,475 12,476 0.632,477 10.12,478 0.533,479 19.381,480 0.668,481 18.338,482 0.965,483 5.837,484 0.307,485 3.383,486 0.178,487 0.07,489 0.34,491 1,493 0.595,494 0.847,495 0.634,496 0.815,497 0.527,498 0.749,499 0.636,500 1.09,501 0.771,502 1.074,503 0.574,504 0.994,505 1.061,506 1.135,507 1.103,508 1.173,509 1.008,510 1.155,511 1.149,512 1.005,513 1.067,514 1.027,515 1.104,516 1.012,517 1.003,518 0.6,519 0.974,520 0.77,521 1.182,522 0.849,523 1.139,524 0.808,525 1.114,526 0.913,527 1.203,528 0.979,529 0.649,530 0.948,531 0.803,532 1.035,533 0.797,534 1.01,535 1.251,536 1.347,537 1.167,538 1.195,539 1.268,540 1.181,541 4,542 0.025,543 2,544 1.132,545 0.951,546 0.351,547 0.27,548 0.205,549 0.103,550 0.071,551 3488,552 11608,553 2.113,554 34.5,556 7,558 1,559 2,564 1.599,565 2,566 3.059,567 0.393,569 1,570 1,571 1,574 49.604,575 1.71,576 3.284,577 4.18,578 4.858,579 4.858,580 4.858,581 2.458,582 3.932,583 4.225,584 3.174,585 542.804,586 7.175,587 5359.8,588 1,589 1,591 1,592 140.881,593 1.324,594 4.189,595 0.19,596 0.006,597 0.069,598 0.044,599 0.045,600 0.019,601 0.017,602 0.013,603 0.009,604 0.009,605 0.421,606 0.83,607 1,608 0.565,609 82.627,610 -0.024,611 0.088,612 0.012,613 0.085,614 -0.056,615 0.068,616 0.015,617 -0.161,618 -0.058,619 -0.157,620 0.018,621 -0.14,622 -0.154,623 -0.174,624 -0.201,625 -0.218,626 -0.103,627 -0.22,628 -0.16,629 -0.144,630 -0.023,631 -0.077,632 -0.089,633 -0.018,634 0.221,635 0.315,636 0.103,637 0.205,638 0.172,639 0.135,640 -0.208,641 0.081,642 -0.19,643 0.063,644 -0.195,645 -0.017,646 0.198,647 -0.093,648 0.162,649 -0.027,650 0.111,651 0.018,652 -0.145,653 -0.225,654 -0.132,655 -0.164,656 -0.155,657 -0.157,658 2.099,659 5.041,660 0.789,661 11.889,662 1.023,663 1.128,664 2.864,665 8.2,666 0.705,667 3.091,668 3.401,669 3.638,670 3.871,671 4.007,672 3.97,673 4.06,674 4.094,675 4.007,676 4.025,677 5.034,678 0.699,679 255.27,680 3.091,681 4.615,682 5.451,683 6.315,684 7.165,685 8.03,686 8.884,687 9.749,688 10.606,689 11.471,690 10.3,697 1,698 1,700 1,705 2,706 8,707 1,708 1,711 3,713 16,720 1,731 1,732 29,734 17,735 2,736 21,738 31,739 14,740 13,741 5,742 7,743 1,745 3,746 4,759 14,763 1,768 1,772 1,775 1,776 1,778 10,779 4,780 2,781 5,787 3,792 0.667,793 1,800 1,808 1,809 2,812 1,835 2,841 1,843 19,853 1,866 1,867 3.4,870 1,874 9.5,875 5.176,876 4.139,877 1.59,878 3.019,879 1.464,880 1.04,881 2.918,882 9.528,883 3.434,884 4.073,885 4.674,886 5.266,887 5.731,888 5.927,889 6.289,890 6.592,891 6.534,892 6.876,893 1,894 26,895 6.996,897 3.037,898 8.079,899 12.878,901 10.439,903 2.579,904 49,908 94.169,909 99.866,910 51.337,912 25.145,913 14.96,915 99.866,916 119.314,917 66.297,919 18.011,920 66.334,921 58.284,922 43.347,923 17.104,924 82.398,926 94.169,927 151.203,928 40.105,931 109.129,932 25.145,935 43.721,936 90.819,937 16.663,939 109.129,940 76.482,941 99.866,944 94.169,945 24.485,946 75.381,947 34.674,948 56.768,949 94.169,950 91.442,951 99.866,953 0.581,954 0.334,955 0.178,956 0.091,957 15,958 6,959 0.065,960 2,961 1,962 1.133,963 3.231,964 137.715,965 0.133,966 15,967 80.711,973 11.724,974 4.729,975 2.428,976 1.792,977 74.779,978 12.628,979 3.904,980 2.827,983 0.494,985 34.674,986 285.477,987 30,992 11.939,996 -0.345,998 29.68,999 32.705,1000 0.352,1001 0.676,1002 0.861,1003 1,1004 1,1005 1,1006 4.635,1007 1,1008 5.425,1009 2.516,1010 4.078,1011 4.758,1012 1.176,1013 6.192,1014 4.032,1015 5.855,1016 0.462,1017 6.956,1018 2.356,1019 3.611,1020 4.543,1022 6.969,1023 3.54,1024 7.16,1025 -0.239,1026 8.581,1027 1.116,1028 5.631,1029 7.011,1030 1.255,1031 10.033,1032 5.549,1033 8.502,1034 -0.408,1035 10.262,1036 -0.636,1037 5.969,1038 7.634,1040 11.618,1041 5.87,1042 9.872,1043 -0.785,1044 11.977,1045 -0.91,1046 7.451,1047 9.547,1048 1.338,1049 14.167,1050 7.342,1051 11.264,1052 -0.86,1053 13.716,1054 -2.071,1055 8.165,1056 10.581,1058 16.093,1059 8.044,1060 12.672,1061 -1,1062 15.472,1063 -2.36,1064 9.415,1065 12.248,1066 1.422,1067 18.445,1068 9.284,1069 2.963,1070 -1.344,1071 17.24,1072 -2.513,1073 10.312,1074 13.492,1076 20.525,1077 10.17,1078 2.825,1079 9.289,1080 19.018,1081 -3.392,1082 11.459,1083 15.046,1084 1.51,1085 22.796,1086 11.307,1087 2.343,1088 8.769,1089 20.803,1090 4.366,1091 12.444,1092 16.398,1094 24.946,1095 12.28,1096 2.072,1097 6.757,1098 22.594,1099 3.793,1100 13.547,1101 17.9,1102 1.599,1103 27.183,1104 13.371,1105 1.534,1106 5.746,1107 24.389,1108 3.12,1109 14.575,1110 19.307,1112 29.365,1113 14.387,1114 1.341,1115 4.217,1116 26.187,1117 2.807,1118 15.658,1119 20.787,1120 1.69,1121 31.588,1122 15.458,1123 1.122,1124 3.28,1125 27.989,1126 2.301,1127 16.708,1128 22.222,1130 33.787,1131 16.494,1132 3349,1133 6201,1134 14.216,1135 20.455,1136 31.785,1137 32.32,1138 31.897,1139 31.385,1140 31.326,1141 44.227,1142 2.117,1143 88.092,1144 30.563,1145 5.254,1146 5.577,1147 5.755,1148 4.975,1149 4.963,1150 7.366,1151 2.117,1152 15.639,1153 4.912,1154 7.25,1155 1.514,1156 1.539,1157 1.519,1158 1.495,1159 1.492,1160 2.106,1161 0.101,1162 4.195,1163 1.455,1164 4.099,1165 4.141,1166 4.061,1167 3.99,1168 8.201,1169 4.002,1170 3.917,1171 3.942,1172 3.873,1173 3.838,1174 7.429,1175 3.841,1176 3.47,1177 3.532,1178 3.417,1179 3.242,1180 5.095,1181 3.277,1182 3.175,1183 3.21,1184 3.116,1185 2.991,1186 4.613,1187 3.012,1188 2.934,1189 2.994,1190 2.824,1191 2.796,1192 4.427,1193 2.796,1194 2.894,1195 2.954,1196 2.792,1197 2.733,1198 3.832,1199 2.734,1200 2.601,1201 2.688,1202 2.463,1203 2.344,1204 3.658,1205 2.37,1206 2.274,1207 2.391,1208 2.175,1209 2.05,1210 3.496,1211 2.054,1212 0.211,1213 0.17,1214 0.295,1215 0.188,1216 0.141,1217 4.43,1218 0.208,1219 3.577,1220 0.05,1221 6.202,1222 0.442,1223 3.947,1224 0.139,1225 2.963,1226 4.366,1227 1.058,1228 9.289,1229 2.912,1230 1.946,1231 1.922,1232 2.029,1233 2.046,1234 1.153,1235 2.041,1236 1.875,1237 1.853,1238 1.972,1239 1.963,1240 1.055,1241 1.966,1242 1.313,1243 1.231,1244 1.465,1245 1.648,1246 0.409,1247 1.598,1248 1.228,1249 1.195,1250 1.349,1251 1.473,1252 0.37,1253 1.434,1254 0.936,1255 0.891,1256 1.14,1257 1.122,1258 0.203,1259 1.132,1260 0.858,1261 0.803,1262 1.089,1263 1.068,1264 0.119,1265 1.076,1266 0.706,1267 0.622,1268 0.998,1269 0.938,1271 0.965,1272 0.461,1273 0.399,1274 0.794,1275 0.747,1277 0.769,1278 3.761,1280 5.069,1281 2.398,1282 6.564,1283 4.595,1284 8.143,1285 6.581,1286 9.764,1290 13.041,1296 2.72,1305 20.27,1306 49.604,1307 95.23,1308 121.23,1309 140.881,1310 140.881,1311 140.881,1312 29.825,1313 6.509,1314 57.78,1315 57.78,1316 17,1317 12.019,1318 4.17,1319 3.322,1320 27.923,1321 58,1322 45,1323 0.24,1324 125.041,1325 207.72,1326 296.86,1327 5194,1328 3.4,1329 13.242,1330 0.697,1331 0.519,1332 12.372,1333 9.852,1334 9.22,1335 0.439,1336 0.273,1337 5.635,1338 8.833,1339 5.55,1340 4.599,1341 8.826,1342 5.723,1343 8.375,1344 0.289,1345 0.143,1346 7.741,1347 4.137,1348 6.885,1349 0.186,1350 0.075,1351 6.558,1352 2.785,1353 5.73,1354 0.122,1355 0.039,1356 5.435,1357 1.853,1358 4.313,1359 0.08,1360 0.021,1361 4.038,1362 1.143,1363 0.373,1364 58.128,1365 0.265,1366 19.068,1367 0.665,1368 100,1369 368.157,1370 111.207,1371 334.116,1372 445.33,1373 310,1374 116,1375 322.322,1376 126.482,1377 321.391,1378 463.8,1379 302,1380 5.1}
{0 CHEMBL146846,1 1.668,2 15.74,3 4.776,4 22.808,5 177.622,6 8.595,7 0.444,8 4.525,9 4.596,10 4.264,11 4.072,12 5.788,13 4.072,14 5.032,15 5.14,16 4.635,17 4.473,18 6.449,19 4.459,20 5.376,21 5.513,22 4.813,23 4.681,24 6.677,25 4.658,26 5.569,27 5.727,28 4.857,29 4.674,30 7.02,31 4.665,32 5.53,33 5.679,34 4.841,35 4.646,36 7.086,37 4.644,38 5.49,39 5.631,40 4.818,41 4.696,42 6.919,43 4.675,44 5.584,45 5.747,46 4.824,47 4.73,48 7.085,49 4.692,50 5.554,51 5.747,52 4.723,53 4.697,54 6.844,55 4.633,56 0.392,57 1.111,58 16.021,59 8.135,60 70.267,61 8.068,62 0.895,63 1.796,64 25.801,65 13.223,66 128.17,67 14.4,68 1.153,69 2.447,70 47.043,71 19.359,72 173.28,73 20.494,74 2.208,75 2.74,76 62.521,77 21.169,78 367.707,79 22.362,80 2.673,81 2.578,82 59.927,83 19.95,84 450.463,85 20.99,86 1.96,87 2.552,88 52.448,89 20.456,90 327.623,91 22.023,92 2.436,93 2.787,94 57.616,95 21.445,96 430.295,97 24.172,98 1.875,99 2.725,100 60.913,101 22.39,102 299.792,103 26.327,104 146,105 79,106 0.249,107 0.579,108 0.744,109 0.844,110 0.865,111 0.875,112 3.935,113 0.925,114 -2.32,115 -2.36,116 -2.32,119 42.7,120 1,121 2,125 2,127 2,142 13,143 6,144 5,157 1,158 3,167 1,170 1,172 16,173 1,174 4,175 8,178 2,180 10,183 18,184 2,188 17,191 2,193 11,196 10,197 1,199 1,200 16,201 1,203 3,204 1,205 11,206 1,208 5,209 2,212 3,213 15,216 9,217 1,218 5,221 10,224 3,225 9,228 1,229 3,230 10,231 2,233 14,234 2,237 5,238 16,241 2,242 2,243 9,246 13,247 1,249 2,250 17,254 2,255 5,258 12,263 21,264 2,266 6,268 2,271 16,275 6276,276 32.479,277 32.479,278 32.479,279 32.479,280 32.479,281 28.697,282 32.918,283 18.502,284 32.919,285 26.518,286 26.518,287 26.518,288 26.518,289 26.518,290 20.65,291 33.667,292 8.671,293 27.276,294 4.69,295 2.477,296 1.375,297 0.705,298 0.564,299 0.497,300 4.625,306 1673,307 5.196,311 740.992,312 213.423,318 2.281,319 120.1,322 0.25,323 0.33,324 0.33,325 0.3,327 0.33,328 0.5,329 0.29,330 113,331 787,332 4.932,333 4.725,334 7.668,335 4.438,336 3.515,337 4.758,338 1.674,339 13.625,340 3.278,341 4.632,342 3.755,343 6.99,344 4.281,345 3.282,346 4.32,347 1.437,348 11.775,349 3.22,350 4.359,351 3.691,352 6.504,353 3.978,354 3,355 4.03,356 1.058,357 10.027,358 2.931,359 4.197,360 3.573,361 6.257,362 3.893,363 2.915,364 3.759,365 0.4,366 9.435,367 2.857,368 4.004,369 3.516,370 6.025,371 3.723,372 2.742,373 3.412,375 8.567,376 2.666,377 3.864,378 2.993,379 5.915,380 3.55,381 2.554,382 3.348,384 8.2,385 2.532,386 3.779,387 2.909,388 5.569,389 3.422,390 2.427,391 3.046,393 6.769,394 2.415,395 3.633,396 2.638,397 5.523,398 3.246,399 2.269,400 2.928,402 6.674,403 2.2,404 3.593,405 2.631,406 5.024,407 3.221,408 2.248,409 2.772,411 6.022,412 2.171,413 3.247,414 2.593,415 5.008,416 2.896,417 1.951,418 2.481,420 5.788,421 1.835,422 3.232,423 2.398,424 4.879,425 2.816,426 1.879,427 2.443,429 5.225,430 1.781,431 3.162,432 2.232,433 4.843,434 2.803,435 1.807,436 2.353,438 4.997,439 1.749,440 2.878,441 1.917,442 4.556,443 2.62,444 1.65,445 1.955,447 4.532,448 1.594,449 2.816,450 1.848,451 4.24,452 2.399,453 1.419,454 1.87,456 3.84,457 1.384,458 2.787,459 1.818,460 4.151,461 2.309,462 1.319,463 1.801,465 3.352,466 1.293,467 23.133,468 0.463,469 1.678,470 0.034,471 66.25,472 1.325,473 35,474 0.7,475 31.25,476 0.625,477 49.996,478 1,479 54.867,480 0.669,481 74.188,482 1.484,483 13.241,484 0.265,485 10.424,486 0.208,487 0.18,488 0.036,489 0.385,493 0.786,494 1.128,495 0.787,496 1.071,497 0.776,498 0.859,499 0.584,500 1.092,501 0.745,502 1.002,503 0.522,504 0.947,505 0.91,506 1.221,507 1.115,508 1.255,509 0.795,510 1.059,511 1.206,512 1.112,513 1.157,514 1.097,515 1.133,516 1.006,517 1.131,518 0.901,519 1.095,520 0.92,521 1.243,522 0.912,523 0.995,524 1.126,525 1.043,526 1.103,527 1.067,528 1.077,529 0.935,530 1.034,531 0.983,532 0.977,533 0.865,534 1.072,535 0.885,536 1,537 0.969,538 0.996,539 0.774,540 1.015,541 12.5,542 0.569,543 7.778,544 5.063,545 4.027,546 2.726,547 1.551,548 1.274,549 1.046,550 0.768,551 45169,552 156351,553 1.987,554 39,555 3,556 19,559 6,561 4,564 1.856,565 1.802,566 3.895,567 2.777,574 136.775,575 1.668,576 3.88,577 4.983,578 5.653,579 5.793,580 5.861,581 3.346,582 5.204,583 5.615,584 4.136,585 5066.38,586 10.016,587 102293,592 521.319,593 1.668,594 5.536,595 0.231,596 0.007,597 0.098,598 0.055,599 0.045,600 0.03,601 0.017,602 0.015,603 0.013,604 0.009,605 0.522,606 0.17,607 0.5,608 0.72,609 299.628,610 -0.086,611 0.02,612 0.087,613 0.057,614 -0.136,615 0.083,616 0.137,617 0.025,618 0.082,619 0.024,620 0.137,621 0.001,622 -0.083,623 -0.141,624 -0.068,625 -0.153,626 -0.029,627 -0.071,628 -0.108,629 -0.094,630 -0.071,631 -0.083,632 -0.048,633 -0.045,634 0.041,635 0.107,636 -0.048,637 0.063,638 -0.017,639 0.029,640 -0.004,641 -0.123,642 -0.08,643 -0.101,644 -0.057,645 -0.108,646 0.053,647 -0.036,648 -0.049,649 -0.035,650 0.09,651 -0.102,652 -0.017,653 -0.021,654 0.041,655 -0.004,656 0.025,657 0.018,658 4.965,659 6.631,660 0.62,661 69.84,662 1.03,663 1.118,664 1.094,665 1.197,666 0.677,667 4.007,668 4.382,669 4.654,670 4.89,671 5.112,672 5.215,673 5.283,674 5.361,675 5.521,676 5.635,677 9.565,678 0.667,679 704.76,680 4.007,681 5.587,682 6.45,683 7.348,684 8.229,685 9.128,686 10.015,687 10.915,688 11.806,689 12.708,690 2.4,693 1,697 1,706 13,711 11,713 24,718 1,720 1,722 1,723 1,729 4,732 82,734 30,735 4,736 54,738 86,739 35,740 24,741 11,742 13,743 4,745 5,746 5,751 1,754 4,757 4,759 28,760 7,763 6,766 1,768 6,772 4,778 32,779 14,780 6,781 15,782 1,787 2,792 1,793 12,809 4,810 1,833 1,835 5,837 1,839 1,843 50,847 1,850 5,851 4,853 1,854 1,856 2,857 1,867 14.6,869 5,870 6,872 1,874 27.75,875 14.533,876 10.778,877 4.581,878 3.218,879 1.367,880 0.92,881 10.956,882 11.993,883 4.29,884 4.913,885 5.445,886 5.943,887 6.426,888 6.608,889 6.823,890 6.894,891 7.258,892 7.528,893 1,894 92,895 19.344,897 9.322,898 8.352,899 33.744,901 28.272,903 2.852,904 142.583,908 306.049,909 185.708,910 19.529,912 369.309,914 5.807,915 179.9,916 675.358,917 19.529,918 8.825,919 27.291,920 128.999,921 376.249,922 33.183,924 306.049,926 306.049,927 199.43,928 369.309,929 5.807,931 258.964,932 416.394,935 37.635,936 161.795,937 5.807,939 306.049,940 388.839,941 185.708,943 5.807,944 306.049,945 47.884,946 133.535,947 18.011,948 369.309,949 306.049,950 388.839,951 185.708,953 0.599,954 0.355,955 0.184,956 0.101,957 36,958 20,959 0.116,960 10,962 1,963 5.309,964 559,966 31,967 266.193,972 1,973 36.513,974 15.004,975 8.017,977 388.839,978 16.437,983 -4.127,985 231.427,986 880.595,987 72,990 -4.048,992 78.813,996 -4.532,998 84.462,999 91.657,1000 0.262,1001 0.61,1002 0.784,1003 0.889,1004 0.911,1005 0.922,1006 5.565,1007 2.269,1008 6.488,1009 6.769,1010 5.069,1011 5.602,1012 2.587,1013 7.365,1014 5.013,1015 6.81,1016 2.248,1017 8.104,1018 6.674,1019 4.89,1020 5.661,1022 8.542,1023 4.781,1024 8.158,1025 1.951,1026 9.83,1027 6.022,1028 6.76,1029 7.858,1030 3.325,1031 11.636,1032 6.639,1033 9.543,1034 1.879,1035 11.622,1036 5.788,1037 7.366,1038 8.712,1040 13.666,1041 7.182,1042 10.962,1043 1.807,1044 13.458,1045 5.225,1046 8.779,1047 10.465,1048 4.182,1049 16.365,1050 8.575,1051 12.407,1052 1.65,1053 15.329,1054 4.997,1055 9.725,1056 11.672,1058 18.731,1059 9.457,1060 13.873,1061 1.419,1062 17.225,1063 4.532,1064 10.987,1065 13.271,1066 5.1,1067 21.329,1068 10.685,1069 3.515,1070 1.319,1071 19.142,1072 3.84,1073 12.082,1074 14.643,1076 23.828,1077 11.717,1078 3.282,1079 13.625,1080 21.077,1081 3.352,1082 13.3,1083 16.189,1084 6.054,1085 26.407,1086 12.889,1087 3,1088 11.775,1089 23.026,1090 4.758,1091 14.462,1092 17.64,1094 28.96,1095 13.988,1096 2.915,1097 10.027,1098 24.987,1099 4.32,1100 15.672,1101 19.17,1102 7.031,1103 31.542,1104 15.144,1105 2.742,1106 9.435,1107 26.959,1108 4.03,1109 16.867,1110 20.662,1112 34.119,1113 16.276,1114 2.554,1115 8.567,1116 28.94,1117 3.759,1118 18.081,1119 22.19,1120 8.022,1121 36.708,1122 17.431,1123 2.427,1124 8.2,1125 30.928,1126 3.412,1127 19.293,1128 23.704,1130 39.298,1131 18.579,1132 43300,1133 80853,1134 34.331,1135 55.534,1136 82.895,1137 86.792,1138 86.626,1139 81.894,1140 81.676,1141 106.54,1142 9.139,1143 246.118,1144 79.438,1145 5.901,1146 6.725,1147 7.197,1148 5.522,1149 5.515,1150 7.758,1151 3.349,1152 21.634,1153 5.278,1154 34.727,1155 1.535,1156 1.607,1157 1.604,1158 1.517,1159 1.513,1160 1.973,1161 0.169,1162 4.558,1163 1.471,1164 4.116,1165 4.11,1166 4.742,1167 4.086,1168 7.715,1169 4.012,1170 4.015,1171 4.013,1172 4.003,1173 3.945,1174 7.476,1175 3.946,1176 3.926,1177 3.945,1178 3.88,1179 3.847,1180 7.434,1181 3.849,1182 3.871,1183 3.883,1184 3.831,1185 3.789,1186 7.428,1187 3.796,1188 3.807,1189 3.845,1190 3.738,1191 3.697,1192 7.426,1193 3.687,1194 3.623,1195 3.613,1196 3.661,1197 3.53,1198 6.999,1199 3.469,1200 3.413,1201 3.474,1202 3.338,1203 3.215,1204 6.491,1205 3.222,1206 3.354,1207 3.34,1208 3.303,1209 3.159,1210 6.471,1211 3.194,1212 0.091,1213 0.088,1214 0.142,1215 0.082,1216 0.065,1217 4.932,1218 0.088,1219 4.725,1220 0.031,1221 7.668,1222 0.252,1223 4.438,1224 0.061,1225 3.515,1226 4.758,1227 1.674,1228 13.625,1229 3.278,1230 1.978,1231 1.983,1232 2.027,1233 2.056,1234 1.314,1235 2.087,1236 1.96,1237 1.955,1238 2.017,1239 2.049,1240 1.276,1241 2.038,1242 1.897,1243 1.877,1244 1.998,1245 2.005,1246 1.142,1247 2.002,1248 1.836,1249 1.826,1250 1.935,1251 1.944,1252 1.121,1253 1.936,1254 1.701,1255 1.656,1256 1.899,1257 1.866,1258 1.055,1259 1.88,1260 1.671,1261 1.639,1262 1.816,1263 1.848,1264 1.017,1265 1.865,1266 1.357,1267 1.341,1268 1.523,1269 1.536,1270 0.719,1271 1.574,1272 1.22,1273 1.222,1274 1.308,1275 1.454,1276 0.503,1277 1.398,1278 4.691,1280 6.052,1282 7.597,1283 2.708,1284 9.228,1285 5.198,1286 10.904,1288 1.81,1293 50.774,1294 0.032,1296 2.73,1297 5.733,1299 -2.215,1300 1.176,1305 54.709,1306 136.775,1307 318.173,1308 408.584,1309 463.545,1310 475.055,1311 480.564,1312 226.616,1313 8.775,1314 228.07,1315 236.45,1316 31,1317 13.231,1318 4.954,1319 4.248,1320 90.096,1321 283,1322 289,1323 0.149,1324 335.371,1325 612.41,1326 810.066,1327 93006,1329 36.327,1330 0.727,1331 0.545,1332 36.577,1333 27.254,1334 23.666,1335 0.438,1336 0.308,1337 15.098,1338 21.89,1339 14.701,1340 12.097,1341 24.454,1342 16.647,1343 22.624,1344 0.286,1345 0.172,1346 23.943,1347 13.55,1348 18.603,1349 0.179,1350 0.097,1351 19.931,1352 10.047,1353 15.197,1354 0.115,1355 0.054,1356 16.284,1357 7.074,1358 11.935,1359 0.072,1360 0.031,1361 12.945,1362 5.166,1363 0.235,1364 157.854,1365 0.171,1366 42.602,1367 0.405,1368 266,1369 957.736,1370 338.356,1371 925.94,1372 1211.49,1373 846,1374 316,1375 825.066,1376 394.517,1377 865.716,1378 1269.08,1379 811,1380 5.456}
{0 CHEMBL146847,1 1.642,2 15.159,3 4.563,4 20.821,5 156.646,6 8.756,7 0.511,8 4.379,9 4.441,10 4.145,11 3.934,12 5.665,13 3.935,14 4.86,15 4.952,16 4.465,17 4.301,18 6.311,19 4.293,20 5.138,21 5.263,22 4.608,23 4.46,24 6.491,25 4.441,26 5.299,27 5.435,28 4.665,29 4.437,30 6.822,31 4.444,32 5.282,33 5.405,34 4.646,35 4.423,36 6.897,37 4.43,38 5.264,39 5.412,40 4.616,41 4.471,42 6.649,43 4.45,44 5.347,45 5.493,46 4.612,47 4.47,48 6.917,49 4.447,50 5.25,51 5.431,52 4.482,53 4.407,54 6.562,55 4.367,56 0.354,57 0.925,58 13.592,59 7.123,60 59.074,61 6.738,62 0.861,63 1.442,64 21.918,65 11.333,66 106.67,67 11.592,68 0.935,69 1.881,70 33.989,71 15.265,72 136.384,73 15.619,74 1.756,75 2.064,76 48.556,77 17.139,78 296.167,79 16.808,80 2.235,81 1.984,82 41.146,83 15.476,84 344.464,85 15.263,86 1.419,87 2.036,88 42.177,89 16.783,90 216.238,91 17.53,92 2.195,93 2.114,94 47.127,95 17.491,96 345.772,97 18.122,98 1.527,99 1.972,100 46.289,101 16.767,102 220.654,103 18.638,104 103,105 67,106 0.252,107 0.57,108 0.712,109 0.823,110 0.859,111 0.865,112 3.81,113 0.921,114 -3.05,115 -3.05,116 -2.94,119 43.7,121 1,124 1,125 1,127 1,142 14,143 5,144 5,157 1,158 2,172 15,174 3,175 6,178 2,180 9,183 18,188 14,191 1,193 9,196 10,200 13,203 3,204 1,205 11,208 4,212 4,213 15,216 7,218 7,221 7,225 9,229 2,230 8,233 12,237 4,238 16,241 4,242 1,243 3,246 15,250 13,253 1,254 2,255 3,258 19,263 6,266 4,268 2,271 17,275 4224,276 28.808,277 28.808,278 28.808,279 28.808,280 28.808,281 25.172,282 23.6,283 16.685,284 29.35,285 23.046,286 23.046,287 23.046,288 23.046,289 23.046,290 17.413,291 17.118,292 7.781,293 23.812,294 4.507,295 2.442,296 1.515,297 0.792,298 0.556,299 0.518,300 4.494,306 1404,307 5.292,311 722.506,318 2.236,319 98.481,322 0.5,323 0.5,324 0.5,325 0.4,327 0.33,329 0.32,330 99.5,331 667,332 4.85,333 4.685,334 7.308,335 4.309,336 3.39,337 4.697,338 1.674,339 12.507,340 3.28,341 4.634,342 3.771,343 6.996,344 4.284,345 3.284,346 4.322,347 1.674,348 11.803,349 3.088,350 4.362,351 3.668,352 6.515,353 3.969,354 2.985,355 4.033,357 10.071,358 2.929,359 4.029,360 3.561,361 6.004,362 3.674,363 2.693,364 3.619,366 8.465,367 2.64,368 3.963,369 2.937,370 5.621,371 3.613,372 2.619,373 3.337,375 7.707,376 2.592,377 3.673,378 2.895,379 5.6,380 3.313,381 2.348,382 3.061,384 7.014,385 2.251,386 3.592,387 2.636,388 5.215,389 3.275,390 2.307,391 2.969,393 6.471,394 2.22,395 3.487,396 2.587,397 4.894,398 3.021,399 2.032,400 2.752,402 5.568,403 2.008,404 3.262,405 2.245,406 4.879,407 2.873,408 1.901,409 2.481,411 5.225,412 1.836,413 3.232,414 2.232,415 4.841,416 2.816,417 1.879,418 2.462,420 5.091,421 1.772,422 3.126,423 1.99,424 4.697,425 2.79,426 1.793,427 2.214,429 4.888,430 1.749,431 2.848,432 1.858,433 4.279,434 2.377,435 1.414,436 1.943,438 3.693,439 1.349,440 2.774,441 1.796,442 4.109,443 2.317,444 1.35,445 1.816,447 3.356,448 1.288,449 2.688,450 1.503,451 3.734,452 2.175,453 1.182,454 1.741,456 2.746,457 1.17,458 2.503,459 1.461,460 3.628,461 2.003,462 1.011,463 1.5,465 2.47,466 1,467 20.4,468 0.464,469 1.352,470 0.031,471 60.5,472 1.375,473 33.5,474 0.761,475 27,476 0.614,477 37.894,478 0.861,479 48,480 0.676,481 63.709,482 1.448,483 12.42,484 0.282,485 8.486,486 0.193,487 0.172,488 0.041,489 0.343,493 0.793,494 1.073,495 0.787,496 1.084,497 0.793,498 0.85,499 0.693,500 1.042,501 0.821,502 0.996,503 0.589,504 0.933,505 0.923,506 1.208,507 1.026,508 1.203,509 0.891,510 1.064,511 1.206,512 1.137,513 1.187,514 1.165,515 1.193,516 0.986,517 1.13,518 0.964,519 1.034,520 0.908,521 1.28,522 0.984,523 1.03,524 1.104,525 1.004,526 1.09,527 0.948,528 1.03,529 1.082,530 0.958,531 1.076,532 0.959,533 1.032,534 1.027,535 0.991,536 0.875,537 0.944,538 0.901,539 0.992,540 0.894,541 10.5,542 0.417,543 6,544 4.25,545 3.209,546 2.167,547 1.283,548 1.056,549 0.694,550 0.568,551 32823,552 116758,553 1.975,554 38,556 20,559 5,561 2,564 1.825,565 1.802,566 3.824,567 2.133,574 116.616,575 1.642,576 3.708,577 4.635,578 5.357,579 5.593,580 5.632,581 3.2,582 4.772,583 5.434,584 4.077,585 3856.5,586 9.635,587 72915,592 436.632,593 1.659,594 5.357,595 0.223,596 0.007,597 0.09,598 0.057,599 0.043,600 0.03,601 0.018,602 0.015,603 0.011,604 0.009,605 0.503,606 0.17,607 0.63,608 0.858,609 256.198,610 -0.078,611 0.04,612 0.1,613 0.037,614 -0.155,615 0.077,616 0.101,617 0.03,618 0.017,619 0.026,620 0.105,621 -0.002,622 -0.089,623 -0.154,624 -0.047,625 -0.148,626 -0.062,627 -0.093,628 -0.085,629 -0.126,630 -0.066,631 -0.112,632 -0.028,633 -0.025,634 0.073,635 0.035,636 -0.085,637 0.027,638 -0.014,639 -0.077,640 -0.077,641 -0.103,642 -0.01,643 -0.084,644 -0.041,645 -0.047,646 0.033,647 0.014,648 -0.079,649 0.006,650 0.06,651 -0.066,652 -0.059,653 0.093,654 0.079,655 0.09,656 -0.076,657 0.135,658 4.949,659 6.206,660 0.545,661 55.636,662 1.032,663 1.114,664 1.825,665 3.329,666 0.684,667 3.871,668 4.22,669 4.466,670 4.7,671 4.883,672 4.905,673 4.977,674 4.997,675 5.1,676 5.198,677 9.221,678 0.675,679 621.66,680 3.871,681 5.434,682 6.282,683 7.171,684 8.037,685 8.929,686 9.802,687 10.696,688 11.574,689 12.469,690 1.4,692 1,706 14,711 10,713 24,718 1,723 2,729 4,732 71,734 29,735 4,736 47,738 74,739 31,740 24,741 10,742 14,743 3,745 4,746 4,757 2,759 27,760 4,763 5,766 1,768 5,772 3,778 27,779 12,780 5,781 13,782 1,787 1,792 1,793 11,809 4,835 4,837 1,839 1,843 44,847 1,850 4,851 2,853 1,854 2,856 1,867 15.5,869 4,870 5,872 2,874 24.417,875 12.633,876 9.681,877 3.728,878 3.263,879 1.405,880 0.915,881 10.288,882 11.321,883 4.174,884 4.796,885 5.323,886 5.842,887 6.319,888 6.432,889 6.719,890 6.805,891 7.155,892 7.447,893 0.9,894 74,895 16.903,897 7.955,898 8.35,899 29.444,901 24.012,903 2.85,904 125.417,908 258.964,909 193.48,910 16.405,912 312.481,914 5.807,915 187.672,916 571.445,917 16.405,918 10.883,919 7.127,920 154.88,921 309.997,922 39.478,924 258.964,926 258.964,927 204.077,928 312.481,929 5.807,931 235.422,932 336.023,935 23.532,936 180.545,937 5.807,939 258.964,940 328.886,941 193.48,943 5.807,944 258.964,945 44.122,946 143.551,947 16.405,948 312.481,949 258.964,950 328.886,951 193.48,953 0.589,954 0.348,955 0.183,956 0.098,957 29,958 16,959 0.176,960 13,962 1,963 5.003,964 449.261,966 24,967 224.215,972 1,973 32.51,974 13.924,975 7.77,977 328.886,978 18.832,983 -3.654,985 187.138,986 781.33,987 64,990 -4.032,992 64.237,996 -3.141,998 73.265,999 79.119,1000 0.267,1001 0.603,1002 0.754,1003 0.871,1004 0.91,1005 0.916,1006 5.425,1007 2.032,1008 6.308,1009 6.471,1010 4.905,1011 5.485,1012 2.503,1013 7.165,1014 4.844,1015 6.669,1016 1.901,1017 7.909,1018 5.568,1019 4.691,1020 5.521,1022 8.317,1023 4.576,1024 8.014,1025 1.879,1026 9.619,1027 5.225,1028 6.578,1029 7.757,1030 3.479,1031 11.388,1032 6.452,1033 9.398,1034 1.793,1035 11.395,1036 5.091,1037 7.155,1038 8.592,1040 13.37,1041 6.967,1042 10.815,1043 1.414,1044 13.216,1045 4.888,1046 8.573,1047 10.369,1048 4.49,1049 16.033,1050 8.372,1051 12.259,1052 1.35,1053 15.068,1054 3.693,1055 9.497,1056 11.562,1058 18.334,1059 9.233,1060 13.723,1061 1.182,1062 16.943,1063 3.356,1064 10.754,1065 13.172,1066 5.514,1067 20.877,1068 10.467,1069 3.39,1070 1.011,1071 18.837,1072 2.746,1073 11.829,1074 14.533,1076 23.299,1077 11.486,1078 3.284,1079 12.507,1080 20.746,1081 2.47,1082 13.034,1083 16.08,1084 6.542,1085 25.809,1086 12.659,1087 2.985,1088 11.803,1089 22.666,1090 4.697,1091 14.175,1092 17.521,1094 28.279,1095 13.75,1096 2.693,1097 10.071,1098 24.595,1099 4.322,1100 15.367,1101 19.046,1102 7.572,1103 30.781,1104 14.905,1105 2.619,1106 8.465,1107 26.532,1108 4.033,1109 16.539,1110 20.527,1112 33.271,1113 16.03,1114 2.348,1115 7.707,1116 28.475,1117 3.619,1118 17.73,1119 22.047,1120 8.603,1121 35.774,1122 17.182,1123 2.307,1124 7.014,1125 30.424,1126 3.337,1127 18.916,1128 23.549,1130 38.273,1131 18.324,1132 31809,1133 60224,1134 29.937,1135 48.551,1136 70.638,1137 74.917,1138 74.129,1139 70.042,1140 69.972,1141 93.536,1142 6.698,1143 206.335,1144 67.792,1145 5.787,1146 6.685,1147 7.11,1148 5.386,1149 5.39,1150 7.697,1151 3.349,1152 20.072,1153 5.28,1154 29.129,1155 1.503,1156 1.594,1157 1.577,1158 1.49,1159 1.489,1160 1.99,1161 0.143,1162 4.39,1163 1.442,1164 4.092,1165 4.082,1166 4.736,1167 4.068,1168 7.717,1169 3.994,1170 4.013,1171 4.009,1172 4.001,1173 3.945,1174 7.438,1175 3.94,1176 3.914,1177 3.934,1178 3.857,1179 3.852,1180 7.431,1181 3.845,1182 3.867,1183 3.874,1184 3.829,1185 3.787,1186 7.424,1187 3.794,1188 3.673,1189 3.699,1190 3.677,1191 3.57,1192 6.999,1193 3.527,1194 3.487,1195 3.469,1196 3.469,1197 3.332,1198 6.49,1199 3.31,1200 3.405,1201 3.421,1202 3.328,1203 3.148,1204 6.471,1205 3.17,1206 3.308,1207 3.307,1208 3.259,1209 3.111,1210 6.466,1211 3.157,1212 0.103,1213 0.1,1214 0.155,1215 0.092,1216 0.072,1217 4.85,1218 0.1,1219 4.685,1220 0.036,1221 7.308,1222 0.266,1223 4.309,1224 0.07,1225 3.39,1226 4.697,1227 1.674,1228 12.507,1229 3.28,1230 1.968,1231 1.971,1232 2.043,1233 2.06,1234 1.295,1235 2.084,1236 1.958,1237 1.955,1238 2.015,1239 2.043,1240 1.144,1241 2.037,1242 1.906,1243 1.884,1244 1.994,1245 1.986,1246 1.139,1247 2.004,1248 1.835,1249 1.825,1250 1.913,1251 1.938,1252 1.022,1253 1.928,1254 1.599,1255 1.573,1256 1.754,1257 1.782,1258 0.955,1259 1.791,1260 1.333,1261 1.356,1262 1.595,1263 1.606,1264 0.581,1265 1.59,1266 1.274,1267 1.243,1268 1.329,1269 1.525,1270 0.544,1271 1.542,1272 1.212,1273 1.211,1274 1.248,1275 1.406,1276 0.483,1277 1.382,1278 4.554,1280 5.894,1282 7.426,1284 9.045,1286 10.711,1288 1.067,1293 41.049,1294 -0.416,1296 2.497,1297 9.954,1299 -0.977,1305 47.92,1306 116.616,1307 263.271,1308 329.064,1309 380.367,1310 397.122,1311 399.877,1312 191.334,1313 8.058,1314 196.76,1315 205.14,1316 24,1317 12.998,1318 4.907,1319 4.17,1320 85.066,1321 248,1322 220,1323 0.164,1324 296.532,1325 538.42,1326 715.299,1327 37943,1329 32.018,1330 0.728,1331 0.544,1332 32.268,1333 23.946,1334 20.906,1335 0.445,1336 0.307,1337 12.851,1338 19.22,1339 12.472,1340 10.317,1341 21.727,1342 14.426,1343 19.467,1344 0.291,1345 0.168,1346 20.768,1347 11.224,1348 15.763,1349 0.183,1350 0.093,1351 16.867,1352 7.98,1353 12.91,1354 0.118,1355 0.051,1356 13.951,1357 5.586,1358 9.866,1359 0.075,1360 0.028,1361 10.719,1362 3.702,1363 0.262,1364 141.093,1365 0.183,1366 38.807,1367 0.44,1368 228,1369 855.941,1370 292.497,1371 826.419,1372 1077.58,1373 756,1374 267,1375 723.852,1376 338.383,1377 765.894,1378 1114.49,1379 714,1380 5.347}
{0 CHEMBL148745,1 1.473,2 14.147,3 4.363,4 19.034,5 120.082,6 8.33,7 0.5,8 4.136,9 4.204,10 3.745,11 3.661,12 5.476,13 3.678,14 4.589,15 4.687,16 4.128,17 4.03,18 6.002,19 4.034,20 4.903,21 5.037,22 4.257,23 4.175,24 6.24,25 4.178,26 5.016,27 5.162,28 4.32,29 4.145,30 6.577,31 4.162,32 5.003,33 5.146,34 4.266,35 4.097,36 6.666,37 4.107,38 4.915,39 5.059,40 4.139,41 4.074,42 6.343,43 4.066,44 4.96,45 5.129,46 4.089,47 4.009,48 6.531,49 3.984,50 4.823,51 5.023,52 3.762,53 3.818,54 6.117,55 3.774,56 0.287,57 0.678,58 9.519,59 5.49,60 50.997,61 5.477,62 0.507,63 1.064,64 16.015,65 8.756,66 80.19,67 9.651,68 0.76,69 1.39,70 25.691,71 11.417,72 118.209,73 12.542,74 1.233,75 1.484,76 31.36,77 12.156,78 213.602,79 13.663,80 1.66,81 1.426,82 32.455,83 11.627,84 305.399,85 12.902,86 1.06,87 1.355,88 27.963,89 11.116,90 177.572,91 12.217,92 1.426,93 1.381,94 31.856,95 11.441,96 236.424,97 13.432,98 1.165,99 1.188,100 30.473,101 9.879,102 200.958,103 11.531,104 83,105 51,106 0.24,107 0.577,108 0.737,109 0.836,110 0.862,111 0.87,112 3.56,113 0.852,114 -3.57,115 -3.54,116 -3.38,119 44.6,120 1,121 2,127 1,142 9,143 5,144 4,157 1,158 2,167 1,170 1,172 12,173 1,174 1,175 7,178 1,180 9,183 16,184 2,188 8,193 8,196 11,197 1,200 8,201 1,203 3,204 1,205 8,206 1,208 9,209 2,212 1,213 9,216 6,217 1,218 5,221 11,225 3,229 2,230 7,231 2,233 10,234 2,237 2,238 6,241 2,242 2,243 9,246 10,247 1,250 5,253 1,255 4,258 8,263 6,264 2,266 2,268 2,271 7,275 2092,276 21.982,277 21.982,278 21.982,279 21.982,280 21.982,281 19.308,282 21.254,283 12.696,284 22.221,285 17.67,286 17.67,287 17.67,288 17.67,289 17.67,290 13.576,291 18.335,292 5.965,293 18.069,294 4.335,295 2.268,296 1.293,297 0.683,298 0.527,299 0.478,300 4.233,304 1,305 1,306 1004,307 4.416,311 399.874,318 2.382,319 73.825,322 1,323 0.67,324 0.83,325 0.6,327 0.83,328 0.5,329 0.63,330 77,331 481,332 4.632,333 3.753,334 6.99,335 4.281,336 3.281,337 4.32,338 1.674,339 11.775,340 3.278,341 4.358,342 3.678,343 6.503,344 3.965,345 2.981,346 4.03,347 1.437,348 10.019,349 2.927,350 4.016,351 3.516,352 6.021,353 3.663,354 2.686,355 3.615,357 8.535,358 2.621,359 3.972,360 2.934,361 5.528,362 3.6,363 2.61,364 3.341,366 7.189,367 2.581,368 3.632,369 2.827,370 5.425,371 3.271,372 2.296,373 2.927,375 6.705,376 2.22,377 3.457,378 2.638,379 5.055,380 3.192,381 2.222,382 2.718,384 6.085,385 2.138,386 3.311,387 2.554,388 4.879,389 2.993,390 2.033,391 2.493,393 5.623,394 1.939,395 3.232,396 2.356,397 4.876,398 2.816,399 1.879,400 2.481,402 5.225,403 1.767,404 3.144,405 2.232,406 4.795,407 2.781,408 1.777,409 2.241,411 4.815,412 1.749,413 2.805,414 1.848,415 4.131,416 2.315,417 1.323,418 1.876,420 3.323,421 1.3,422 2.695,423 1.788,424 3.85,425 2.216,426 1.217,427 1.674,429 2.967,430 1.196,431 2.5,432 1.336,433 3.698,434 2,435 1,436 1.5,438 2.324,439 1,440 2.471,441 1,442 3.414,443 1.942,444 0.927,445 1.327,447 2.275,448 0.926,449 1.784,450 0.975,451 3.14,452 1.616,453 0.629,454 0.701,456 1.426,457 0.616,458 1.27,459 0.642,460 2.873,461 0.921,462 -0.026,463 -0.03,465 -0.068,466 -0.024,467 15.5,468 0.456,469 1.094,470 0.032,471 45,472 1.324,473 24.5,474 0.721,475 20.5,476 0.603,477 27.887,478 0.82,479 37.3,480 0.666,481 42.599,482 1.253,483 9.198,484 0.271,485 6.881,486 0.202,487 0.204,489 0.419,493 0.897,494 0.926,495 0.774,496 0.906,497 0.861,498 0.822,499 0.593,500 1.111,501 0.699,502 1.102,503 0.523,504 0.976,505 0.979,506 1.128,507 0.905,508 1.109,509 0.86,510 1.011,511 0.984,512 1.123,513 0.894,514 1.102,515 0.951,516 0.998,517 1.003,518 0.92,519 0.988,520 0.922,521 1.126,522 0.944,523 1.083,524 1.111,525 1.08,526 1.109,527 1.032,528 1.097,529 0.915,530 1.045,531 1.038,532 1.057,533 0.835,534 1.083,535 1.242,536 0.815,537 1.155,538 0.822,539 1.287,540 0.927,541 8,542 0.264,543 4.444,544 3.188,545 2.8,546 1.507,547 0.937,548 0.677,549 0.378,550 0.291,551 16610,552 58468,553 1.944,554 39.3,555 2,556 10,559 5,561 5,564 1.757,565 1.759,566 3.706,567 2.307,569 1,574 82.479,575 1.473,576 3.539,577 4.514,578 5.124,579 5.28,580 5.33,581 3.231,582 4.44,583 5.055,584 3.949,585 2215.33,586 8.852,587 34692.4,592 325.212,593 1.568,594 4.978,595 0.222,596 0.009,597 0.087,598 0.057,599 0.05,600 0.029,601 0.02,602 0.016,603 0.012,604 0.009,605 0.511,606 0.17,607 0.88,608 0.807,609 184.218,610 -0.148,611 0.16,612 -0.049,613 0.16,614 -0.162,615 0.106,616 0.104,617 -0.05,618 0.076,619 -0.047,620 0.112,621 -0.007,622 -0.115,623 -0.113,624 -0.013,625 -0.098,626 -0.075,627 -0.038,628 0.044,629 -0.139,630 0.084,631 -0.125,632 0.086,633 -0.034,634 0.145,635 0.053,636 0.025,637 0.04,638 0.109,639 0.002,640 -0.09,641 -0.121,642 -0.123,643 -0.125,644 -0.086,645 -0.133,646 0.122,647 -0.082,648 -0.012,649 -0.092,650 0.151,651 -0.097,652 -0.181,653 0.128,654 -0.07,655 0.13,656 -0.218,657 0.083,658 3.153,659 5.859,660 0.529,661 41.474,662 1.03,663 1.115,664 2.342,665 5.484,666 0.669,667 3.611,668 3.951,669 4.19,670 4.431,671 4.605,672 4.595,673 4.635,674 4.615,675 4.727,676 4.71,677 8.209,678 0.665,679 466.47,680 3.611,681 5.165,682 6.009,683 6.893,684 7.756,685 8.642,686 9.515,687 10.404,688 11.282,689 12.173,706 9,711 9,713 18,718 1,722 1,723 1,729 4,732 56,734 21,735 3,736 36,738 58,739 25,740 18,741 9,742 9,743 3,745 3,746 3,751 1,757 3,759 21,760 4,763 3,768 3,772 3,775 1,778 22,779 9,780 5,781 9,792 1,793 9,809 3,833 1,835 3,839 1,843 34,850 5,851 2,854 1,856 1,867 16.1,869 5,870 3,872 1,874 19.333,875 10,876 7.472,877 3.125,878 3.162,879 1.421,880 0.877,881 7.813,882 10.668,883 3.892,884 4.494,885 5.045,886 5.587,887 6.073,888 6.199,889 6.464,890 6.577,891 6.94,892 7.141,893 1,894 56,895 12.801,897 5.817,898 8.407,899 22.575,901 18.232,903 2.907,904 98.833,908 200.109,909 128.343,912 299.851,915 128.343,916 499.96,918 8.825,919 5.069,920 85.286,921 302.086,922 26.928,924 200.109,926 200.109,927 128.343,928 299.851,931 141.253,932 358.707,935 13.894,936 114.449,939 200.109,940 299.851,941 128.343,944 200.109,945 34.232,946 94.111,948 299.851,949 200.109,950 299.851,951 128.343,953 0.591,954 0.345,955 0.184,956 0.099,957 22,958 13,959 0.155,960 9,962 1,963 4.304,964 306.471,966 18,967 162.974,973 25.085,974 10.59,975 5.886,977 299.851,978 11.853,983 -3.153,985 213.417,986 628.303,987 48,992 36.767,996 -3.469,998 57.665,999 62.452,1000 0.254,1001 0.609,1002 0.777,1003 0.882,1004 0.909,1005 0.918,1006 5.139,1007 1.879,1008 6.023,1009 5.623,1010 4.635,1011 5.182,1012 2.374,1013 6.853,1014 4.594,1015 6.369,1016 1.777,1017 7.606,1018 5.225,1019 4.369,1020 5.103,1022 7.83,1023 4.3,1024 7.689,1025 1.323,1026 9.289,1027 4.815,1028 6.252,1029 7.374,1030 3.228,1031 10.938,1032 6.186,1033 9.042,1034 1.217,1035 11.029,1036 3.323,1037 6.746,1038 8.054,1040 12.748,1041 6.665,1042 10.424,1043 1,1044 12.807,1045 2.967,1046 8.159,1047 9.859,1048 4.138,1049 15.415,1050 8.08,1051 11.828,1052 0.927,1053 14.613,1054 2.324,1055 9.002,1056 10.902,1058 17.587,1059 8.918,1060 13.25,1061 0.629,1062 16.44,1063 2.275,1064 10.24,1065 12.511,1066 5.081,1067 20.105,1068 10.157,1069 3.281,1070 -0.026,1071 18.285,1072 1.426,1073 11.25,1074 13.74,1076 22.435,1077 11.166,1078 2.981,1079 11.775,1080 20.145,1081 -0.068,1082 12.426,1083 15.259,1084 6.046,1085 24.903,1086 12.344,1087 2.686,1088 10.019,1089 22.016,1090 4.32,1091 13.515,1092 16.586,1094 27.301,1095 13.433,1096 2.61,1097 8.535,1098 23.897,1099 4.03,1100 14.673,1101 18.063,1102 7.027,1103 29.756,1104 14.593,1105 2.296,1106 7.189,1107 25.787,1108 3.615,1109 15.801,1110 19.443,1112 32.185,1113 15.723,1114 2.222,1115 6.705,1116 27.683,1117 3.341,1118 16.958,1119 20.9,1120 8.021,1121 34.637,1122 16.882,1123 2.033,1124 6.085,1125 29.585,1126 2.927,1127 18.106,1128 22.31,1130 37.081,1131 18.031,1132 16353,1133 30899,1134 22.6,1135 37.466,1136 54.684,1137 57.03,1138 57.355,1139 53.926,1140 53.725,1141 70.487,1142 6.222,1143 156.57,1144 52.52,1145 5.549,1146 5.753,1147 6.519,1148 5.334,1149 5.281,1150 7.32,1151 3.349,1152 19.321,1153 5.278,1154 23.299,1155 1.519,1156 1.584,1157 1.593,1158 1.498,1159 1.492,1160 1.958,1161 0.173,1162 4.349,1163 1.459,1164 4.03,1165 4.034,1166 4.001,1167 3.951,1168 7.476,1169 3.961,1170 3.928,1171 3.952,1172 3.861,1173 3.861,1174 7.433,1175 3.857,1176 3.866,1177 3.874,1178 3.828,1179 3.787,1180 7.426,1181 3.794,1182 3.64,1183 3.68,1184 3.53,1185 3.482,1186 6.491,1187 3.481,1188 3.324,1189 3.321,1190 3.278,1191 3.152,1192 6.471,1193 3.179,1194 3.29,1195 3.272,1196 3.241,1197 3.022,1198 6.466,1199 3.071,1200 3.166,1201 3.227,1202 3.036,1203 2.99,1204 6.446,1205 2.985,1206 3.014,1207 3.017,1208 2.919,1209 2.774,1210 6.351,1211 2.809,1212 0.129,1213 0.104,1214 0.194,1215 0.119,1216 0.091,1217 4.632,1218 0.12,1219 3.753,1220 0.047,1221 6.99,1222 0.327,1223 4.281,1224 0.091,1225 3.281,1226 4.32,1227 1.674,1228 11.775,1229 3.278,1230 1.96,1231 1.956,1232 2.054,1233 2.054,1234 1.299,1235 2.042,1236 1.919,1237 1.894,1238 2.015,1239 2.014,1240 1.142,1241 2.024,1242 1.834,1243 1.824,1244 1.915,1245 1.938,1246 1.026,1247 1.928,1248 1.617,1249 1.57,1250 1.845,1251 1.801,1252 1.002,1253 1.814,1254 1.226,1255 1.22,1256 1.518,1257 1.446,1258 0.671,1259 1.453,1260 1.163,1261 1.123,1262 1.294,1263 1.436,1264 0.338,1265 1.367,1266 1.11,1267 1.095,1268 1.215,1269 1.376,1270 0.222,1271 1.346,1272 0.886,1273 0.872,1274 1.181,1275 1.192,1276 0.218,1277 1.149,1278 4.29,1280 5.624,1282 7.144,1284 8.756,1286 10.418,1288 1.668,1293 49.313,1294 1.043,1297 5.333,1299 -0.522,1305 37.228,1306 82.479,1307 198.179,1308 252.808,1309 286.947,1310 295.702,1311 298.457,1312 140.587,1313 7.506,1314 161.59,1315 161.59,1316 18,1317 12.704,1318 4.459,1319 3.7,1320 67.674,1321 169,1322 192,1323 0.196,1324 229.236,1325 418.71,1326 551.096,1327 19558,1329 24.991,1330 0.735,1331 0.531,1332 24.991,1333 18.057,1334 16.078,1335 0.447,1336 0.284,1337 10.082,1338 15.402,1339 9.877,1340 8.161,1341 16.078,1342 10.229,1343 15.037,1344 0.295,1345 0.15,1346 15.037,1347 7.645,1348 11.864,1349 0.183,1350 0.079,1351 11.864,1352 5.144,1353 9.935,1354 0.12,1355 0.041,1356 9.935,1357 3.387,1358 7.497,1359 0.076,1360 0.022,1361 7.497,1362 2.221,1363 0.315,1364 101.905,1365 0.21,1366 31.834,1367 0.52,1368 174,1369 647.691,1370 195.479,1371 611.982,1372 793.49,1373 560,1374 203,1375 551.424,1376 221.937,1377 553.697,1378 807.29,1379 519,1380 6.602}
{0 CHEMBL149313,1 1.473,2 14.735,3 4.236,4 17.946,5 120.433,6 8.33,7 0.5,8 4.136,9 4.203,10 3.752,11 3.652,12 5.462,13 3.673,14 4.597,15 4.698,16 4.108,17 4.01,18 5.954,19 4.017,20 4.854,21 4.982,22 4.254,23 4.148,24 6.207,25 4.157,26 4.986,27 5.119,28 4.302,29 4.108,30 6.559,31 4.138,32 4.94,33 5.066,34 4.249,35 4.067,36 6.573,37 4.082,38 4.912,39 5.068,40 4.141,41 4.038,42 6.326,43 4.038,44 4.915,45 5.061,46 4.049,47 3.951,48 6.484,49 3.943,50 4.761,51 4.964,52 3.792,53 3.805,54 6.019,55 3.768,56 0.271,57 0.678,58 9.419,59 5.485,60 42.069,61 5.496,62 0.6,63 1.054,64 17.001,65 8.634,66 65.522,67 9.337,68 0.653,69 1.333,70 23.678,71 10.953,72 94.833,73 12.07,74 1.285,75 1.421,76 30.302,77 11.523,78 212.445,79 12.409,80 1.532,81 1.349,82 28.967,83 10.94,84 243.492,85 11.871,86 1.06,87 1.342,88 28.869,89 11.032,90 159.51,91 12.414,92 1.532,93 1.288,94 30.115,95 10.473,96 231.356,97 11.302,98 1,99 1.136,100 28.221,101 9.507,102 150.195,103 11.438,104 67,105 50,106 0.24,107 0.579,108 0.735,109 0.824,110 0.856,111 0.864,112 3.56,113 0.849,114 -3.57,115 -3.54,116 -3.38,119 44.6,121 2,124 1,125 1,142 9,143 5,144 4,157 1,158 2,172 12,174 2,175 7,180 8,183 15,188 10,193 6,196 10,200 8,203 3,204 1,205 7,208 7,212 2,213 11,216 6,218 3,221 7,225 3,229 2,230 7,233 8,237 2,238 8,241 4,243 5,246 9,250 6,253 1,255 2,258 8,263 5,266 2,268 2,271 6,275 2132,276 22.405,277 22.405,278 22.405,279 22.405,280 22.405,281 19.783,282 21.163,283 13.066,284 22.792,285 17.607,286 17.607,287 17.607,288 17.607,289 17.607,290 13.497,291 16.457,292 6.053,293 18.091,294 4.335,295 2.256,296 1.3,297 0.755,298 0.563,299 0.513,300 4.236,304 1,305 1,306 1045,307 4.301,311 397.747,318 2.413,319 70.415,322 1,323 0.5,324 0.83,325 0.6,327 0.83,328 0.5,329 0.61,330 77,331 501,332 4.634,333 3.771,334 6.996,335 4.284,336 3.284,337 4.322,338 1.674,339 11.803,340 3.28,341 4.362,342 3.666,343 6.515,344 3.968,345 2.984,346 4.033,347 1.674,348 10.071,349 2.929,350 4.012,351 3.56,352 6.002,353 3.627,354 2.637,355 3.614,357 8.454,358 2.601,359 3.962,360 2.934,361 5.618,362 3.602,363 2.612,364 3.336,366 7.154,367 2.583,368 3.672,369 2.814,370 5.412,371 3.292,372 2.321,373 2.969,375 7.013,376 2.234,377 3.426,378 2.634,379 4.889,380 3.081,381 2.116,382 2.708,384 5.696,385 2.032,386 3.254,387 2.427,388 4.879,389 2.83,390 1.879,391 2.481,393 5.225,394 1.806,395 3.232,396 2.232,397 4.84,398 2.816,399 1.838,400 2.457,402 4.955,403 1.749,404 2.857,405 1.934,406 4.305,407 2.506,408 1.556,409 1.962,411 3.881,412 1.465,413 2.826,414 1.857,415 4.129,416 2.375,417 1.414,418 1.876,420 3.38,421 1.344,422 2.537,423 1.771,424 3.75,425 2.192,426 1.19,427 1.5,429 2.78,430 1.181,431 2.5,432 1.461,433 3.498,434 2,435 1,436 1.487,438 2.353,439 1,440 2.41,441 1.336,442 3.414,443 1.977,444 0.976,445 1.31,447 2.275,448 0.962,449 1.613,450 1,451 3.026,452 1.361,453 0.4,454 0.46,456 0.885,457 0.378,458 1.476,459 0.974,460 2.747,461 1.141,462 0.226,463 0.26,465 0.326,466 0.202,467 15.5,468 0.456,469 0.95,470 0.028,471 45.25,472 1.331,473 24.5,474 0.721,475 20.75,476 0.61,477 26.591,478 0.782,479 37.3,480 0.666,481 42.745,482 1.257,483 9.45,484 0.278,485 6.773,486 0.199,487 0.183,489 0.387,493 0.879,494 0.995,495 0.753,496 0.971,497 0.819,498 0.853,499 0.735,500 1.005,501 0.756,502 0.995,503 0.595,504 0.909,505 0.915,506 1.184,507 0.839,508 1.16,509 0.89,510 1.016,511 1.126,512 1.084,513 0.962,514 1.061,515 1.136,516 0.979,517 0.978,518 1.017,519 1.012,520 1.02,521 1.129,522 1.026,523 1.061,524 1.08,525 0.984,526 1.068,527 0.985,528 1.015,529 1.196,530 0.993,531 1.226,532 1.007,533 1.206,534 1.1,535 1.073,536 0.824,537 0.985,538 0.822,539 1.087,540 0.861,541 7,542 0.231,543 4.444,544 3.063,545 2.48,546 1.535,547 0.855,548 0.653,549 0.366,550 0.307,551 16922,552 58852,553 1.96,554 39.3,555 2,556 14,559 4,561 2,564 1.757,565 1.789,566 3.748,567 1.546,569 1,574 82.479,575 1.473,576 3.551,577 4.507,578 5.053,579 5.245,580 5.294,581 3.234,582 4.572,583 5.053,584 3.984,585 2234.96,586 8.846,587 35297.3,592 325.212,593 1.549,594 4.989,595 0.194,596 0.008,597 0.089,598 0.055,599 0.045,600 0.03,601 0.018,602 0.016,603 0.011,604 0.01,605 0.476,606 0.17,607 0.88,608 0.94,609 184.777,610 -0.13,611 0.09,612 -0.028,613 0.094,614 -0.14,615 0.074,616 0.044,617 0.047,618 0.049,619 0.048,620 0.048,621 0.05,622 -0.081,623 -0.162,624 0.034,625 -0.141,626 -0.06,627 -0.043,628 -0.013,629 -0.101,630 0.02,631 -0.092,632 0.041,633 -0.04,634 0.168,635 -0.031,636 -0.032,637 -0.052,638 0.099,639 -0.098,640 -0.059,641 -0.101,643 -0.09,644 -0.021,645 -0.039,646 0.005,647 -0.028,648 -0.195,649 -0.057,650 -0.011,651 -0.164,652 -0.097,653 0.127,654 0.08,655 0.143,656 -0.112,657 0.166,658 2.706,659 5.978,660 0.529,661 43.689,662 1.03,663 1.115,664 2.342,665 5.484,666 0.669,667 3.611,668 3.932,669 4.19,670 4.419,671 4.595,672 4.605,673 4.615,674 4.605,675 4.663,676 4.727,677 8.385,678 0.665,679 466.47,680 3.611,681 5.153,682 5.999,683 6.876,684 7.741,685 8.625,686 9.499,687 10.387,688 11.266,689 12.158,706 9,711 9,713 18,718 1,723 2,729 4,732 56,734 21,735 3,736 36,738 58,739 25,740 18,741 9,742 9,743 3,745 3,746 3,757 2,759 21,760 4,763 3,768 3,772 3,775 1,778 22,779 9,780 4,781 9,792 1,793 9,809 3,835 3,839 1,843 34,850 4,851 3,854 2,867 16.1,869 4,870 3,872 2,874 19,875 10.133,876 7.639,877 3.061,878 3.207,879 1.426,880 0.887,881 8.153,882 10.74,883 3.892,884 4.483,885 5.051,886 5.583,887 6.073,888 6.208,889 6.459,890 6.574,891 6.897,892 7.163,893 0.9,894 56,895 12.761,897 5.691,898 8.338,899 22.652,901 18.029,903 2.838,904 96.5,908 211.88,909 141.275,912 268.168,915 141.275,916 480.048,918 10.883,919 9.661,920 85.286,921 265.684,922 37.928,924 211.88,926 211.88,927 141.275,928 268.168,931 188.338,932 291.71,935 9.661,936 131.613,939 211.88,940 268.168,941 141.275,944 211.88,945 45.105,946 96.169,948 268.168,949 211.88,950 268.168,951 141.275,953 0.582,954 0.349,955 0.184,956 0.099,957 21,958 12,959 0.172,960 10,962 1,963 4.351,964 303.874,966 18,967 162.974,973 25.085,974 11.051,975 5.886,977 268.168,978 12.254,983 -2.447,985 170.733,986 621.323,987 48,992 37.291,996 -2.763,998 57.665,999 62.452,1000 0.254,1001 0.612,1002 0.776,1003 0.87,1004 0.903,1005 0.912,1006 5.127,1007 1.838,1008 5.999,1009 5.225,1010 4.615,1011 5.17,1012 2.503,1013 6.825,1014 4.571,1015 6.349,1016 1.556,1017 7.578,1018 4.955,1019 4.29,1020 5.066,1022 7.806,1023 4.233,1024 7.666,1025 1.414,1026 9.26,1027 3.881,1028 6.225,1029 7.368,1030 3.479,1031 10.925,1032 6.159,1033 9.02,1034 1.19,1035 11.003,1036 3.38,1037 6.698,1038 8.045,1040 12.75,1041 6.629,1042 10.405,1043 1,1044 12.785,1045 2.78,1046 8.132,1047 9.857,1048 4.49,1049 15.42,1050 8.058,1051 11.812,1052 0.976,1053 14.596,1054 2.353,1055 8.972,1056 10.901,1058 17.602,1059 8.899,1060 13.237,1061 0.4,1062 16.429,1063 2.275,1064 10.22,1065 12.512,1066 5.514,1067 20.122,1068 10.145,1069 3.284,1070 0.226,1071 18.278,1072 0.885,1073 11.232,1074 13.743,1076 22.457,1077 11.157,1078 2.984,1079 11.803,1080 20.142,1081 0.326,1082 12.414,1083 15.262,1084 6.542,1085 24.928,1086 12.338,1087 2.637,1088 10.071,1089 22.017,1090 4.322,1091 13.506,1092 16.59,1094 27.329,1095 13.431,1096 2.612,1097 8.454,1098 23.901,1099 4.033,1100 14.668,1101 18.067,1102 7.572,1103 29.786,1104 14.593,1105 2.321,1106 7.154,1107 25.793,1108 3.614,1109 15.798,1110 19.448,1112 32.218,1113 15.724,1114 2.116,1115 7.013,1116 27.692,1117 3.336,1118 16.959,1119 20.905,1120 8.603,1121 34.672,1122 16.885,1123 1.879,1124 5.696,1125 29.596,1126 2.969,1127 18.109,1128 22.315,1130 37.119,1131 18.036,1132 16649,1133 31232,1134 22.887,1135 37.466,1136 53.543,1137 56.882,1138 56.767,1139 52.935,1140 52.871,1141 69.549,1142 6.698,1143 152.501,1144 51.494,1145 5.551,1146 5.771,1147 6.68,1148 5.331,1149 5.284,1150 7.322,1151 3.349,1152 19.368,1153 5.28,1154 22.049,1155 1.487,1156 1.58,1157 1.577,1158 1.47,1159 1.469,1160 1.932,1161 0.186,1162 4.236,1163 1.43,1164 4.029,1165 4.033,1166 4.002,1167 3.951,1168 7.438,1169 3.961,1170 3.925,1171 3.949,1172 3.858,1173 3.858,1174 7.431,1175 3.854,1176 3.867,1177 3.874,1178 3.829,1179 3.787,1180 7.424,1181 3.794,1182 3.571,1183 3.61,1184 3.467,1185 3.395,1186 6.49,1187 3.396,1188 3.407,1189 3.422,1190 3.327,1191 3.152,1192 6.471,1193 3.179,1194 3.321,1195 3.319,1196 3.251,1197 3.111,1198 6.466,1199 3.157,1200 3.088,1201 3.106,1202 3.016,1203 2.868,1204 6.446,1205 2.895,1206 3.001,1207 3.05,1208 2.897,1209 2.781,1210 4.635,1211 2.78,1212 0.129,1213 0.105,1214 0.194,1215 0.119,1216 0.091,1217 4.634,1218 0.12,1219 3.771,1220 0.047,1221 6.996,1222 0.328,1223 4.284,1224 0.091,1225 3.284,1226 4.322,1227 1.674,1228 11.803,1229 3.28,1230 1.96,1231 1.956,1232 2.049,1233 2.054,1234 1.277,1235 2.04,1236 1.916,1237 1.891,1238 2.015,1239 2.01,1240 1.144,1241 2.021,1242 1.835,1243 1.825,1244 1.913,1245 1.939,1246 1.022,1247 1.928,1248 1.539,1249 1.49,1250 1.779,1251 1.742,1252 0.961,1253 1.751,1254 1.274,1255 1.243,1256 1.595,1257 1.605,1258 0.581,1259 1.59,1260 1.219,1261 1.219,1262 1.328,1263 1.437,1264 0.484,1265 1.392,1266 1.004,1267 0.971,1268 1.247,1269 1.251,1270 0.333,1271 1.243,1272 0.954,1273 0.903,1274 1.181,1275 1.214,1276 0.218,1277 1.193,1278 4.29,1280 5.609,1282 7.125,1284 8.736,1286 10.4,1288 1.098,1293 40.151,1294 1.15,1297 9.766,1305 37.228,1306 82.479,1307 198.869,1308 252.418,1309 282.947,1310 293.702,1311 296.457,1312 132.838,1313 7.533,1314 150.59,1315 150.59,1316 18,1317 12.688,1318 4.459,1319 3.7,1320 67.734,1321 172,1322 200,1323 0.193,1324 229.236,1325 418.71,1326 551.096,1327 20652,1329 24.828,1330 0.73,1331 0.534,1332 24.828,1333 18.148,1334 16.222,1335 0.451,1336 0.283,1337 10.008,1338 15.466,1339 9.808,1340 8.118,1341 16.222,1342 10.186,1343 14.545,1344 0.291,1345 0.146,1346 14.545,1347 7.316,1348 12.063,1349 0.186,1350 0.077,1351 12.063,1352 5.014,1353 9.794,1354 0.119,1355 0.041,1356 9.794,1357 3.333,1358 7.39,1359 0.075,1360 0.022,1361 7.39,1362 2.138,1363 0.31,1364 103.4,1365 0.209,1366 31.961,1367 0.508,1368 172,1369 657.276,1370 193.589,1371 615.224,1372 799.37,1373 566,1374 201,1375 551.03,1376 220.933,1377 554.847,1378 808.97,1379 518,1380 5.387}
{0 CHEMBL149604,1 1.698,2 14.237,3 2.735,4 7.482,5 132.099,6 8.944,7 0.45,8 4.234,9 4.292,10 4.016,11 3.759,12 5.558,13 3.768,14 4.707,15 4.793,16 4.307,17 4.118,18 6.259,19 4.124,20 5.013,21 5.141,22 4.401,23 4.265,24 6.395,25 4.266,26 5.129,27 5.267,28 4.499,29 4.26,30 6.668,31 4.274,32 5.147,33 5.272,34 4.501,35 4.242,36 6.838,37 4.252,38 5.114,39 5.274,40 4.445,41 4.24,42 6.539,43 4.231,44 5.09,45 5.213,46 4.43,47 4.196,48 6.821,49 4.193,50 5.027,51 5.209,52 4.189,53 4.078,54 6.402,55 4.038,56 0.413,57 0.812,58 11.891,59 6.157,60 76.426,61 5.571,62 0.845,63 1.257,64 20.704,65 9.937,66 131.47,67 10.043,68 1.196,69 1.598,70 28.075,71 12.308,72 197.42,73 12.437,74 1.653,75 1.689,76 39.239,77 14.249,78 292.857,79 14.769,80 2.197,81 1.67,82 35.115,83 13.291,84 372.007,85 13.522,86 1.627,87 1.674,88 39.99,89 14.029,90 264.748,91 14.701,92 1.956,93 1.597,94 34.731,95 13.116,96 335.5,97 13.065,98 1.616,99 1.492,100 39.316,101 12.789,102 273.756,103 13.831,104 127,105 58,106 0.271,107 0.609,108 0.752,109 0.841,110 0.864,111 0.871,112 3.668,113 0.955,114 -2.07,115 -2.12,116 -2.11,119 41,121 1,124 1,125 1,127 1,142 9,143 5,144 4,157 1,158 2,167 1,170 1,172 11,173 1,174 2,175 5,178 3,180 10,183 14,184 2,188 8,191 1,193 9,196 8,197 1,200 8,201 1,203 3,204 1,205 10,206 1,208 4,209 2,212 3,213 11,216 7,217 1,218 8,221 5,225 7,229 2,230 8,231 2,233 8,234 2,237 4,238 12,241 2,242 3,243 5,246 8,247 1,250 9,253 1,254 2,255 4,258 8,263 4,264 2,266 4,268 2,271 5,275 2828,276 24.085,277 24.085,278 24.085,279 24.085,280 24.085,281 21.034,282 21.449,283 13.796,284 24.413,285 19.675,286 19.675,287 19.675,288 19.675,289 19.675,290 14.95,291 16.332,292 6.516,293 20.239,294 4.233,295 2.115,296 1.22,297 0.66,298 0.517,299 0.471,300 4.338,306 1120,307 5.148,311 459.627,318 2.172,319 93.403,322 0.25,323 0.33,324 0.33,325 0.3,327 0.17,329 0.2,330 87.5,331 541,332 4.635,333 4.311,334 6.99,335 4.281,336 3.281,337 4.429,338 1.674,339 11.775,340 3.278,341 4.631,342 3.752,343 6.503,344 4.076,345 3.141,346 4.32,347 1.437,348 10.203,349 2.929,350 4.357,351 3.661,352 6.457,353 3.961,354 2.977,355 4.03,357 10.016,358 2.914,359 4.027,360 3.515,361 5.999,362 3.655,363 2.672,364 3.619,366 8.442,367 2.619,368 3.958,369 2.932,370 5.551,371 3.606,372 2.613,373 3.334,375 7.593,376 2.586,377 3.629,378 2.888,379 5.524,380 3.263,381 2.298,382 2.926,384 6.687,385 2.21,386 3.513,387 2.632,388 5.11,389 3.229,390 2.253,391 2.754,393 6.299,394 2.176,395 3.262,396 2.573,397 4.879,398 2.889,399 1.925,400 2.481,402 5.407,403 1.844,404 3.232,405 2.232,406 4.843,407 2.816,408 1.879,409 2.462,411 5.225,412 1.776,413 3.127,414 2.217,415 4.782,416 2.795,417 1.797,418 2.207,420 4.915,421 1.749,422 2.816,423 1.848,424 4.236,425 2.336,426 1.355,427 1.9,429 3.644,430 1.319,431 2.749,432 1.797,433 3.876,434 2.269,435 1.29,436 1.758,438 2.968,439 1.242,440 2.5,441 1.48,442 3.71,443 2,444 1,445 1.5,447 2.384,448 1,449 2.483,450 1.336,451 3.414,452 1.961,453 0.952,454 1.353,456 2.275,457 0.945,458 1.694,459 1,460 3.189,461 1.407,462 0.452,463 0.528,465 1.069,466 0.423,467 17.4,468 0.458,469 1.409,470 0.037,471 50.75,472 1.336,473 27.5,474 0.724,475 23.25,476 0.612,477 32.36,478 0.852,479 42.6,480 0.698,481 51.796,482 1.363,483 10.321,484 0.272,485 7.442,486 0.196,487 0.22,488 0.048,489 0.374,493 0.837,494 1.081,495 0.812,496 1.093,497 0.846,498 0.839,499 0.617,500 1.16,501 0.953,502 1.189,503 0.535,504 0.993,505 1.037,506 1.059,507 0.953,508 1.016,509 0.997,510 1.041,511 0.992,512 1.133,513 0.992,514 1.14,515 0.92,516 0.997,517 0.997,518 0.983,519 0.941,520 0.909,521 1.077,522 1.026,523 1.058,524 0.979,525 0.967,526 0.965,527 0.937,528 0.897,529 1.02,530 1.073,531 1.102,532 1.071,533 0.959,534 1.122,535 1.099,536 0.877,537 1.071,538 0.918,539 1.187,540 0.953,541 10.5,542 0.285,543 4.667,544 3.813,545 2.96,546 1.868,547 1.242,548 0.906,549 0.62,550 0.486,551 21470,552 85326,553 1.914,554 37.7,556 15,559 6,561 2,564 1.788,565 1.721,566 3.717,567 3.077,574 103.583,575 1.698,576 3.815,577 4.711,578 5.271,579 5.414,580 5.459,581 3.198,582 4.649,583 5.221,584 3.974,585 2793.38,586 9.198,587 47432.7,592 361.775,593 1.715,594 5.124,595 0.262,596 0.007,597 0.08,598 0.063,599 0.046,600 0.031,601 0.021,602 0.016,603 0.014,604 0.011,605 0.552,606 0.17,607 0.5,608 1.018,609 212.23,610 -0.116,611 0.082,612 0.086,613 0.08,614 -0.179,615 0.107,616 0.126,617 -0.039,618 -0.073,619 -0.096,620 0.164,621 -0.033,622 -0.176,623 -0.017,624 -0.125,625 -0.067,626 -0.157,627 -0.089,628 -0.014,629 -0.151,630 0.016,631 -0.126,632 0.027,633 -0.006,634 0.105,635 -0.011,636 -0.035,637 0.004,638 0.038,639 -0.098,640 -0.1,641 0.001,642 0.075,643 0.044,644 -0.056,645 0.113,646 0.056,647 -0.087,648 -0.122,649 -0.093,650 0.107,651 -0.178,652 -0.122,653 0.072,655 0.069,656 -0.178,657 0.078,658 4.619,659 5.917,660 0.474,661 45.601,662 1.041,663 1.119,664 0.844,665 0.712,666 0.673,667 3.714,668 4.078,669 4.263,670 4.522,671 4.691,672 4.718,673 4.779,674 4.762,675 4.875,676 4.92,677 8.508,678 0.67,679 545.56,680 3.714,681 5.283,682 6.116,683 7.011,684 7.864,685 8.76,686 9.622,687 10.518,688 11.387,689 12.283,690 1.6,692 1,706 9,711 9,713 18,718 1,722 1,723 1,729 4,732 61,734 23,735 3,736 40,738 63,739 25,740 18,741 9,742 9,743 3,745 3,746 3,757 2,759 21,760 4,763 5,766 1,768 5,772 3,778 23,779 12,780 6,781 13,782 1,787 1,792 1,793 11,809 3,833 1,835 3,837 1,839 1,843 38,847 1,850 5,851 2,853 1,854 1,856 1,867 18,869 5,870 5,872 1,874 22.083,875 10.75,876 8.181,877 3.083,878 3.096,879 1.404,880 0.884,881 9.012,882 10.763,883 4.007,884 4.64,885 5.089,886 5.631,887 6.108,888 6.254,889 6.54,890 6.661,891 7.023,892 7.27,893 1,894 61,895 14.569,897 6.894,898 8.559,899 25.008,901 20.37,903 3.059,904 116.25,908 200.109,909 134.574,910 16.405,912 344.164,914 5.807,915 128.766,916 544.273,917 16.405,918 7.19,919 7.127,920 107.499,921 346.399,922 26.928,924 200.109,926 200.109,927 145.171,928 344.164,929 5.807,931 176.567,932 367.707,935 23.532,936 121.639,937 5.807,939 200.109,940 360.569,941 134.574,943 5.807,944 200.109,945 36.289,946 92.477,947 16.405,948 344.164,949 200.109,950 360.569,951 134.574,953 0.597,954 0.328,955 0.176,956 0.096,957 25,958 15,959 0.175,960 11,962 1,963 4.519,964 359.537,966 18,967 187.421,972 1,973 28.94,974 11.833,975 7.465,977 360.569,978 10.822,983 -4.244,985 229.822,986 695.252,987 54,990 -3.703,992 60.497,996 -3.816,998 63.498,999 68.289,1000 0.286,1001 0.643,1002 0.794,1003 0.889,1004 0.913,1005 0.921,1006 5.27,1007 1.925,1008 6.163,1009 6.299,1010 4.762,1011 5.328,1012 2.374,1013 7.011,1014 4.709,1015 6.531,1016 1.879,1017 7.759,1018 5.407,1019 4.635,1020 5.466,1022 8.125,1023 4.532,1024 7.883,1025 1.797,1026 9.456,1027 5.225,1028 6.438,1029 7.606,1030 3.228,1031 11.144,1032 6.338,1033 9.269,1034 1.355,1035 11.21,1036 4.915,1037 7.031,1038 8.476,1040 13.017,1041 6.887,1042 10.684,1043 1.29,1044 12.999,1045 3.644,1046 8.404,1047 10.196,1048 4.138,1049 15.634,1050 8.26,1051 12.118,1052 1,1053 14.814,1054 2.968,1055 9.306,1056 11.379,1058 17.821,1059 9.128,1060 13.569,1061 0.952,1062 16.647,1063 2.384,1064 10.53,1065 12.948,1066 5.081,1067 20.308,1068 10.345,1069 3.281,1070 0.452,1071 18.494,1072 2.275,1073 11.569,1074 14.274,1076 22.63,1077 11.36,1078 3.141,1079 11.775,1080 20.354,1081 1.069,1082 12.74,1083 15.781,1084 6.046,1085 25.076,1086 12.522,1087 2.977,1088 10.203,1089 22.223,1090 4.429,1091 13.842,1092 17.177,1094 27.461,1095 13.607,1096 2.672,1097 10.016,1098 24.1,1099 4.32,1100 14.998,1101 18.659,1102 7.027,1103 29.897,1104 14.755,1105 2.613,1106 8.442,1107 25.984,1108 4.03,1109 16.13,1110 20.089,1112 32.312,1113 15.875,1114 2.298,1115 7.593,1116 27.874,1117 3.619,1118 17.284,1119 21.561,1120 8.021,1121 34.75,1122 17.022,1123 2.253,1124 6.687,1125 29.77,1126 3.334,1127 18.43,1128 23.009,1130 37.181,1131 18.161,1132 21292,1133 42632,1134 24.679,1135 41.028,1136 60.727,1137 64.627,1138 63.46,1139 60.205,1140 60.029,1141 79.501,1142 6.222,1143 178.442,1144 58.264,1145 5.563,1146 6.311,1147 6.519,1148 5.343,1149 5.281,1150 7.429,1151 3.349,1152 19.32,1153 5.278,1154 27.934,1155 1.518,1156 1.616,1157 1.586,1158 1.505,1159 1.501,1160 1.988,1161 0.156,1162 4.461,1163 1.457,1164 4.044,1165 4.046,1166 4.715,1167 3.973,1168 7.718,1169 3.964,1170 3.982,1171 3.98,1172 3.999,1173 3.925,1174 7.475,1175 3.874,1176 3.884,1177 3.878,1178 3.857,1179 3.834,1180 7.433,1181 3.793,1182 3.865,1183 3.868,1184 3.827,1185 3.786,1186 7.426,1187 3.751,1188 3.534,1189 3.552,1190 3.472,1191 3.362,1192 6.999,1193 3.357,1194 3.319,1195 3.317,1196 3.273,1197 3.15,1198 6.491,1199 3.175,1200 3.29,1201 3.272,1202 3.241,1203 3.02,1204 6.471,1205 3.071,1206 3.087,1207 3.103,1208 3.017,1209 2.865,1210 6.466,1211 2.893,1212 0.116,1213 0.108,1214 0.175,1215 0.107,1216 0.082,1217 4.635,1218 0.111,1219 4.311,1220 0.042,1221 6.99,1222 0.294,1223 4.281,1224 0.082,1225 3.281,1226 4.429,1227 1.674,1228 11.775,1229 3.278,1230 1.96,1231 1.956,1232 2.041,1233 2.055,1234 1.289,1235 2.053,1236 1.924,1237 1.902,1238 2.015,1239 2.026,1240 1.142,1241 2.033,1242 1.834,1243 1.824,1244 1.912,1245 1.937,1246 1.022,1247 1.937,1248 1.739,1249 1.764,1250 1.767,1251 1.881,1252 1.007,1253 1.921,1254 1.459,1255 1.433,1256 1.586,1257 1.658,1258 0.874,1259 1.679,1260 1.218,1261 1.216,1262 1.33,1263 1.438,1264 0.484,1265 1.391,1266 1.114,1267 1.121,1268 1.262,1269 1.431,1270 0.333,1271 1.358,1272 0.997,1273 0.967,1274 1.204,1275 1.25,1276 0.218,1277 1.238,1278 4.394,1280 5.746,1282 7.27,1284 8.879,1286 10.534,1288 0.921,1293 49.548,1294 -0.355,1296 2.328,1297 5.157,1299 -0.906,1305 40.866,1306 103.583,1307 232.742,1308 287.371,1309 321.51,1310 330.265,1311 333.02,1312 188.027,1313 7.667,1314 207.76,1315 216.14,1316 18,1317 12.813,1318 4.585,1319 3.907,1320 80.523,1321 197,1322 198,1323 0.198,1324 255.154,1325 465.8,1326 614.336,1327 23212,1329 28.198,1330 0.742,1331 0.542,1332 28.448,1333 20.598,1334 17.763,1335 0.444,1336 0.318,1337 10.818,1338 16.174,1339 10.432,1340 8.607,1341 18.69,1342 12.739,1343 17.563,1344 0.303,1345 0.173,1346 18.945,1347 10.059,1348 12.62,1349 0.18,1350 0.086,1351 13.071,1352 6.036,1353 10.792,1354 0.119,1355 0.049,1356 11.318,1357 4.415,1358 8.148,1359 0.075,1360 0.025,1361 8.515,1362 2.692,1363 0.316,1364 122.752,1365 0.201,1366 34.579,1367 0.53,1368 196,1369 780.355,1370 253.041,1371 753.83,1372 965.37,1373 684,1374 226,1375 639.308,1376 287.711,1377 673.837,1378 970.49,1379 626,1380 5.301}
{0 CHEMBL149873,1 1.607,2 15.057,3 2.481,4 6.156,5 119.262,6 8.916,7 0.486,8 4.119,9 4.181,10 3.778,11 3.619,12 5.52,13 3.662,14 4.547,15 4.629,16 4.153,17 3.977,18 6.053,19 4.009,20 4.843,21 4.96,22 4.295,23 4.107,24 6.292,25 4.146,26 4.942,27 5.054,28 4.343,29 4.043,30 6.621,31 4.114,32 4.908,33 5.016,34 4.265,35 3.983,36 6.692,37 4.035,38 4.827,39 4.97,40 4.13,41 3.95,42 6.365,43 3.97,44 4.85,45 4.996,46 4.058,47 3.851,48 6.552,49 3.872,50 4.679,51 4.871,52 3.75,53 3.67,54 6.026,55 3.665,56 0.402,57 0.684,58 7.909,59 4.948,60 66.576,61 4.385,62 0.687,63 1.044,64 12.774,65 7.679,66 95.801,67 7.612,68 0.977,69 1.324,70 21.262,71 10.052,72 153.623,73 10.119,74 1.51,75 1.362,76 25.758,77 10.248,78 264.57,79 9.774,80 1.867,81 1.285,82 25.879,83 9.67,84 322.129,85 9.22,86 1.261,87 1.238,88 24.247,89 9.789,90 214.099,91 10.553,92 1.671,93 1.214,94 26.758,95 9.341,96 280.662,97 9.834,98 1.194,99 1.026,100 25.807,101 8.282,102 191.772,103 9.348,104 83,105 52,106 0.263,107 0.585,108 0.729,109 0.824,110 0.859,111 0.875,112 3.588,113 0.811,114 -2.25,115 -2.29,116 -2.25,119 44.4,125 2,142 9,143 5,144 4,157 1,158 3,167 1,170 1,172 10,173 1,174 1,175 6,178 2,180 10,183 12,184 2,188 9,191 1,193 10,196 6,197 1,200 7,201 1,203 3,204 1,205 10,206 1,208 4,209 2,212 2,213 7,216 7,217 1,218 5,221 4,225 2,228 1,229 3,230 8,231 2,233 5,234 2,237 3,238 8,241 2,242 2,243 5,246 5,247 1,250 7,254 2,255 2,258 5,263 6,264 2,266 3,271 6,275 2353,276 22.742,277 22.742,278 22.742,279 22.742,280 22.742,281 19.976,282 20.708,283 13.201,284 23.021,285 18.148,286 18.148,287 18.148,288 18.148,289 18.148,290 13.838,291 17.629,292 6.168,293 18.57,294 4.148,295 2.183,296 1.304,297 0.723,298 0.509,299 0.407,300 4.262,306 1100,307 4.528,311 417.919,318 2.402,319 81.915,322 0.5,323 0.5,324 0.5,325 0.2,327 0.5,328 0.5,329 0.39,330 80.5,331 527,332 4.632,333 3.752,334 6.99,335 4.281,336 3.281,337 4.32,338 1.674,339 11.775,340 3.278,341 4.357,342 3.66,343 6.503,344 3.962,345 2.976,346 4.029,347 1.437,348 10.016,349 2.925,350 4.179,351 3.556,352 6.026,353 3.815,354 2.812,355 3.756,356 1.058,357 8.57,358 2.815,359 3.957,360 3.515,361 5.997,362 3.615,363 2.623,364 3.333,366 8.433,367 2.591,368 3.658,369 2.929,370 5.525,371 3.253,372 2.288,373 3.012,375 6.685,376 2.202,377 3.628,378 2.64,379 5.022,380 3.242,381 2.261,382 2.926,384 6.021,385 2.194,386 3.255,387 2.631,388 4.879,389 2.835,390 1.879,391 2.481,393 5.225,394 1.809,395 3.232,396 2.232,397 4.84,398 2.816,399 1.849,400 2.457,402 4.956,403 1.749,404 2.912,405 2.026,406 4.287,407 2.611,408 1.659,409 1.992,411 4.025,412 1.567,413 2.826,414 1.899,415 4.167,416 2.359,417 1.383,418 1.906,420 3.659,421 1.337,422 2.773,423 1.847,424 3.885,425 2.291,426 1.306,427 1.795,429 2.968,430 1.267,431 2.504,432 1.781,433 3.715,434 2.072,435 1.061,436 1.5,438 2.538,439 1.057,440 2.5,441 1.336,442 3.414,443 2,444 1,445 1.405,447 2.275,448 1,449 2.354,450 1.25,451 3.387,452 1.917,453 0.896,454 1.219,456 2.144,457 0.9,458 1.479,459 1,460 2.946,461 1.174,462 0.228,463 0.265,465 0.497,466 0.212,467 15.733,468 0.45,469 1.077,470 0.031,471 47.75,472 1.364,473 26,474 0.743,475 21.75,476 0.621,477 25.853,478 0.739,479 38.267,480 0.709,481 46.594,482 1.331,483 10.138,484 0.29,485 6.457,486 0.184,487 0.191,489 0.413,493 0.921,494 0.961,495 0.742,496 0.874,497 0.85,498 0.765,499 0.656,500 1.087,501 0.715,502 1.065,503 0.578,504 0.953,505 0.968,506 1.137,507 0.862,508 1.12,509 0.924,510 0.991,511 1.178,512 1.153,513 0.996,514 1.113,515 1.176,516 1.011,517 1.07,518 0.955,519 1.112,520 0.962,521 1.208,522 1.029,523 0.924,524 1.116,525 0.963,526 1.122,527 0.897,528 1.08,529 1.025,530 1.004,531 1.144,532 1.02,533 0.888,534 1.099,535 1.159,536 0.809,537 1.073,538 0.82,539 1.115,540 0.89,541 7.5,542 0.215,543 4.889,544 3.438,545 2.6,546 1.569,547 0.815,548 0.59,549 0.44,550 0.296,551 18735,552 72744,553 1.945,554 35.2,556 13,559 6,564 1.763,565 1.765,566 3.789,567 3.134,569 1,574 86.795,575 1.607,576 3.572,577 4.451,578 5.032,579 5.245,580 5.347,581 3.283,582 4.558,583 5.098,584 4.042,585 2404.9,586 8.925,587 39397,592 310.764,593 1.565,594 5.023,595 0.203,596 0.007,597 0.094,598 0.059,599 0.046,600 0.031,601 0.018,602 0.015,603 0.014,604 0.009,605 0.495,606 0.17,607 0.63,608 0.797,609 192.814,610 -0.181,611 0.144,612 -0.067,613 0.17,614 -0.174,615 0.123,616 0.066,617 0.002,618 0.012,619 -0.029,620 0.07,621 -0.03,622 -0.117,623 -0.113,624 0.009,625 -0.113,626 -0.102,627 -0.028,628 -0.091,629 -0.169,630 -0.032,631 -0.148,632 -0.049,633 -0.085,634 0.099,635 0.024,636 -0.123,637 -0.009,638 0.031,639 -0.121,640 0.016,641 -0.147,642 0.024,643 -0.132,644 0.013,645 -0.076,646 0.067,647 -0.047,648 -0.086,649 -0.067,650 0.127,651 -0.119,652 -0.158,653 0.119,654 0.058,655 0.147,656 -0.163,657 0.179,658 3.18,659 5.812,660 0.514,661 45.22,662 1.043,663 1.117,664 1.016,665 1.032,666 0.674,667 3.638,668 3.97,669 4.22,670 4.443,671 4.605,672 4.615,673 4.615,674 4.554,675 4.654,676 4.673,677 8.761,678 0.684,679 481.44,680 3.638,681 5.187,682 6.033,683 6.913,684 7.777,685 8.661,686 9.533,687 10.42,688 11.298,689 12.187,690 1.9,697 1,706 9,711 9,713 18,718 1,720 1,722 1,723 1,729 4,732 54,734 22,735 3,736 37,738 56,739 24,740 18,741 9,742 9,743 4,745 3,746 3,759 22,760 2,763 4,768 4,772 4,778 19,779 11,780 6,781 11,787 1,792 1,793 10,809 3,833 1,835 3,843 35,850 5,851 2,853 1,854 1,867 18.5,869 5,870 4,872 1,874 19.833,875 9.333,876 7.75,877 2.819,878 3.152,879 1.418,880 0.879,881 8.088,882 10.7,883 3.932,884 4.527,885 5.089,886 5.616,887 6.097,888 6.253,889 6.488,890 6.529,891 6.874,892 7.103,893 0.9,894 58,895 13.17,897 6.016,898 8.548,899 22.787,901 18.153,903 3.048,904 106.667,908 153.024,909 125.852,910 18.011,912 324.996,915 125.852,916 478.021,917 18.011,919 24.709,920 85.286,921 331.936,922 26.928,924 153.024,926 153.024,927 143.862,928 324.996,931 153.024,932 324.996,935 24.709,936 119.153,939 153.024,940 343.007,941 125.852,944 153.024,945 40.565,946 85.286,947 18.011,948 324.996,949 153.024,950 343.007,951 125.852,953 0.589,954 0.348,955 0.183,956 0.096,957 22,958 13,959 0.161,960 9,962 1,963 4.426,964 314.469,966 18,967 169.525,973 25.709,974 11.011,975 5.965,977 343.007,978 10.5,983 -4.325,985 231.427,986 621.883,987 50,992 48.455,996 -4.139,998 56.327,999 60.329,1000 0.279,1001 0.621,1002 0.773,1003 0.874,1004 0.911,1005 0.929,1006 5.173,1007 1.849,1008 6.043,1009 5.225,1010 4.654,1011 5.215,1012 2.563,1013 6.874,1014 4.616,1015 6.403,1016 1.659,1017 7.628,1018 4.956,1019 4.369,1020 5.139,1022 7.865,1023 4.323,1024 7.725,1025 1.383,1026 9.316,1027 4.025,1028 6.271,1029 7.412,1030 3.323,1031 10.976,1032 6.216,1033 9.081,1034 1.306,1035 11.063,1036 3.659,1037 6.77,1038 8.109,1040 12.797,1041 6.717,1042 10.467,1043 1.061,1044 12.848,1045 2.968,1046 8.188,1047 9.904,1048 4.182,1049 15.458,1050 8.128,1051 11.875,1052 1,1053 14.66,1054 2.538,1055 9.039,1056 10.96,1058 17.629,1059 8.985,1060 13.301,1061 0.896,1062 16.493,1063 2.275,1064 10.279,1065 12.56,1066 5.1,1067 20.139,1068 10.22,1069 3.281,1070 0.228,1071 18.341,1072 2.144,1073 11.293,1074 13.795,1076 22.463,1077 11.237,1078 2.976,1079 11.775,1080 20.202,1081 0.497,1082 12.468,1083 15.307,1084 6.054,1085 24.925,1086 12.41,1087 2.812,1088 10.016,1089 22.074,1090 4.32,1091 13.557,1092 16.636,1094 27.319,1095 13.501,1096 2.623,1097 8.57,1098 23.954,1099 4.029,1100 14.714,1101 18.107,1102 7.031,1103 29.769,1104 14.657,1105 2.288,1106 8.433,1107 25.841,1108 3.756,1109 15.839,1110 19.487,1112 32.195,1113 15.783,1114 2.261,1115 6.685,1116 27.734,1117 3.333,1118 16.994,1119 20.94,1120 8.022,1121 34.644,1122 16.937,1123 1.879,1124 6.021,1125 29.633,1126 3.012,1127 18.139,1128 22.348,1130 37.086,1131 18.083,1132 18409,1133 36436,1134 23.293,1135 36.403,1136 55.95,1137 59.266,1138 58.843,1139 55.134,1140 55.004,1141 72.795,1142 8.339,1143 159.573,1144 53.805,1145 5.566,1146 5.752,1147 6.673,1148 5.347,1149 5.281,1150 7.32,1151 3.349,1152 19.32,1153 5.278,1154 23.996,1155 1.512,1156 1.602,1157 1.59,1158 1.49,1159 1.487,1160 1.967,1161 0.225,1162 4.313,1163 1.454,1164 4.027,1165 4.03,1166 4,1167 3.949,1168 7.476,1169 3.959,1170 3.925,1171 3.944,1172 3.873,1173 3.845,1174 7.435,1175 3.848,1176 3.866,1177 3.874,1178 3.829,1179 3.787,1180 7.428,1181 3.794,1182 3.599,1183 3.65,1184 3.499,1185 3.368,1186 7.426,1187 3.389,1188 3.354,1189 3.346,1190 3.326,1191 3.149,1192 6.49,1193 3.184,1194 3.29,1195 3.272,1196 3.246,1197 3.022,1198 6.471,1199 3.072,1200 3.176,1201 3.188,1202 3.1,1203 2.97,1204 6.466,1205 2.999,1206 3.002,1207 3.006,1208 2.927,1209 2.769,1210 6.446,1211 2.804,1212 0.125,1213 0.101,1214 0.189,1215 0.116,1216 0.089,1217 4.632,1218 0.117,1219 3.752,1220 0.045,1221 6.99,1222 0.318,1223 4.281,1224 0.089,1225 3.281,1226 4.32,1227 1.674,1228 11.775,1229 3.278,1230 1.959,1231 1.955,1232 2.016,1233 2.052,1234 1.144,1235 2.037,1236 1.895,1237 1.875,1238 1.996,1239 2.001,1240 1.083,1241 1.998,1242 1.834,1243 1.824,1244 1.914,1245 1.939,1246 1.025,1247 1.928,1248 1.526,1249 1.47,1250 1.767,1251 1.779,1252 0.991,1253 1.775,1254 1.22,1255 1.219,1256 1.304,1257 1.471,1258 0.341,1259 1.406,1260 1.116,1261 1.122,1262 1.242,1263 1.437,1264 0.248,1265 1.36,1266 1.073,1267 1.06,1268 1.203,1269 1.315,1270 0.218,1271 1.283,1272 0.886,1273 0.863,1274 1.181,1275 1.192,1276 0.168,1277 1.149,1278 4.317,1280 5.645,1282 7.165,1284 8.777,1286 10.44,1293 49.023,1294 -0.323,1296 2.497,1297 4.98,1305 36.911,1306 86.795,1307 192.876,1308 240.36,1309 271.744,1310 283.254,1311 288.764,1312 151.659,1313 7.548,1314 190.69,1315 190.69,1316 18,1317 12.719,1318 4.524,1319 3.807,1320 71.043,1321 185,1322 205,1323 0.185,1324 227.507,1325 418.56,1326 546.877,1327 21335,1329 25.698,1330 0.734,1331 0.511,1332 25.698,1333 17.888,1334 16.595,1335 0.449,1336 0.27,1337 9.815,1338 15.781,1339 9.691,1340 7.973,1341 16.595,1342 10.001,1343 15.275,1344 0.294,1345 0.138,1346 15.275,1347 7.162,1348 12.321,1349 0.184,1350 0.072,1351 12.321,1352 4.81,1353 10.111,1354 0.12,1355 0.038,1356 10.111,1357 3.151,1358 7.497,1359 0.076,1360 0.02,1361 7.497,1362 1.963,1363 0.301,1364 106.129,1365 0.207,1366 32.829,1367 0.482,1368 178,1369 719.759,1370 202.749,1371 675.511,1372 870.09,1373 618,1374 208,1375 596.842,1376 230.318,1377 597.691,1378 872.4,1379 560,1380 5.18}
{0 CHEMBL150264,1 1.669,2 15.182,3 4.04,4 16.318,5 153.062,6 9.038,7 0.511,8 4.363,9 4.418,10 4.148,11 3.904,12 5.684,13 3.917,14 4.83,15 4.906,16 4.474,17 4.265,18 6.352,19 4.272,20 5.129,21 5.248,22 4.607,23 4.408,24 6.514,25 4.407,26 5.254,27 5.376,28 4.656,29 4.361,30 6.819,31 4.392,32 5.234,33 5.346,34 4.61,35 4.33,36 6.953,37 4.358,38 5.182,39 5.323,40 4.559,41 4.368,42 6.595,43 4.361,44 5.272,45 5.415,46 4.597,47 4.382,48 6.877,49 4.371,50 5.216,51 5.392,52 4.463,53 4.32,54 6.565,55 4.298,56 0.439,57 0.901,58 12.509,59 6.866,60 74.669,61 6.023,62 0.918,63 1.392,64 18.911,65 10.794,66 127.034,67 10.357,68 1.231,69 1.821,70 33.205,71 14.71,72 172.305,73 14.153,74 2.011,75 1.929,76 46.158,77 16.009,78 314.228,79 14.614,80 2.534,81 1.832,82 37.908,83 14.289,84 399.479,85 13.582,86 1.571,87 1.855,88 35.432,89 14.811,90 245.815,91 15.122,92 2.157,93 1.975,94 42.776,95 16.187,96 339.38,97 16.293,98 1.768,99 1.869,100 47.547,101 16.186,102 254.152,103 16.902,104 102,105 67,106 0.258,107 0.554,108 0.685,109 0.813,110 0.866,111 0.872,112 3.81,113 0.905,114 -2.15,115 -2.2,116 -2.17,119 43.5,125 2,127 1,142 14,143 4,144 6,157 1,158 2,167 1,170 1,172 12,173 1,174 2,175 7,178 3,180 9,183 14,184 2,188 13,191 2,193 10,196 8,197 1,199 1,200 9,201 1,203 3,204 1,205 9,206 1,208 4,209 2,212 5,213 8,216 8,217 1,218 8,221 4,224 1,225 7,229 2,230 10,231 2,233 5,234 2,237 4,238 18,241 2,242 2,243 5,246 4,247 1,250 17,254 3,255 2,258 9,263 9,264 2,266 5,271 20,275 4328,276 28.645,277 28.645,278 28.645,279 28.645,280 28.645,281 24.957,282 24.43,283 16.629,284 29.156,285 23.109,286 23.109,287 23.109,288 23.109,289 23.109,290 17.472,291 20.748,292 7.827,293 23.973,294 4.439,295 2.519,296 1.671,297 0.846,298 0.504,299 0.464,300 4.493,306 1408,307 5.292,311 730.776,318 2.182,319 104.161,322 0.25,323 0.33,324 0.33,325 0.1,327 0.17,329 0.17,330 100.5,331 668,332 4.85,333 4.685,334 7.307,335 4.308,336 3.389,337 4.697,338 1.674,339 12.506,340 3.278,341 4.632,342 3.752,343 6.99,344 4.281,345 3.281,346 4.32,347 1.437,348 11.775,349 3.084,350 4.357,351 3.662,352 6.503,353 3.962,354 2.977,355 4.03,356 0.86,357 10.016,358 2.925,359 4.014,360 3.515,361 6,362 3.627,363 2.652,364 3.615,366 8.443,367 2.595,368 3.96,369 2.955,370 5.526,371 3.579,372 2.616,373 3.334,375 7.268,376 2.498,377 3.63,378 2.927,379 5.465,380 3.33,381 2.371,382 3.06,384 6.827,385 2.262,386 3.586,387 2.643,388 5.332,389 3.238,390 2.257,391 2.926,393 6.676,394 2.195,395 3.457,396 2.622,397 4.89,398 3.021,399 2.075,400 2.719,402 5.674,403 1.982,404 3.307,405 2.421,406 4.879,407 2.948,408 1.968,409 2.481,411 5.225,412 1.891,413 3.232,414 2.232,415 4.843,416 2.816,417 1.879,418 2.473,420 5.175,421 1.792,422 3.219,423 2,424 4.773,425 2.81,426 1.809,427 2.326,429 4.917,430 1.749,431 2.82,432 1.848,433 4.24,434 2.345,435 1.371,436 1.909,438 3.667,439 1.325,440 2.757,441 1.801,442 3.877,443 2.276,444 1.297,445 1.781,447 2.968,448 1.249,449 2.691,450 1.574,451 3.711,452 2.179,453 1.189,454 1.744,456 2.752,457 1.173,458 2.5,459 1.36,460 3.635,461 2,462 1,463 1.5,465 2.395,466 1,467 20.233,468 0.46,469 1.39,470 0.032,471 61.25,472 1.392,473 34,474 0.773,475 27.25,476 0.619,477 36.682,478 0.834,479 48.167,480 0.698,481 64.3,482 1.461,483 12.603,484 0.286,485 8.265,486 0.188,487 0.165,488 0.041,489 0.346,493 0.84,494 1.049,495 0.789,496 1.06,497 0.838,498 0.815,499 0.705,500 1.118,501 0.826,502 1.065,503 0.575,504 0.982,505 1.005,506 1.156,507 1.056,508 1.17,509 0.901,510 1.04,511 1.229,512 1.129,513 1.226,514 1.193,515 1.163,516 0.995,517 1.058,518 0.941,519 1.007,520 0.881,521 1.242,522 0.988,523 0.98,524 1.12,525 0.917,526 1.045,527 0.939,528 1.049,529 1.003,530 1.04,531 1.07,532 1.031,533 0.794,534 1.051,535 1.121,536 0.856,537 1.078,538 0.914,539 1.023,540 0.85,541 10.5,542 0.388,543 6,544 4,545 3.289,546 2.056,547 1.04,548 1.017,549 0.777,550 0.536,551 33379,552 124662,553 1.975,554 36.2,556 19,559 6,564 1.825,565 1.802,566 3.826,567 2.911,574 115.166,575 1.669,576 3.59,577 4.438,578 5.263,579 5.605,580 5.645,581 3.249,582 4.869,583 5.433,584 4.092,585 3871.12,586 9.636,587 73850.4,592 421.488,593 1.659,594 5.357,595 0.223,596 0.006,597 0.09,598 0.055,599 0.045,600 0.029,601 0.016,602 0.015,603 0.013,604 0.009,605 0.5,606 0.17,607 0.5,608 0.734,609 256.732,610 -0.11,611 0.065,612 0.082,613 0.062,614 -0.177,615 0.096,616 0.08,617 -0.04,618 -0.015,619 -0.042,620 0.12,621 -0.069,622 -0.122,623 -0.109,624 -0.061,625 -0.118,626 -0.084,627 -0.073,628 -0.098,629 -0.124,630 -0.088,631 -0.132,632 -0.047,633 -0.036,634 0.143,635 0.037,636 -0.077,637 0.032,638 0.04,639 -0.083,640 -0.05,641 -0.123,642 0.022,643 -0.079,644 -0.055,645 -0.067,646 0.042,647 -0.052,648 -0.027,649 -0.037,650 0.147,651 -0.069,652 -0.133,653 0.114,654 0.06,655 0.121,656 -0.089,657 0.2,658 5.009,659 6.035,660 0.545,661 57.198,662 1.039,663 1.115,664 0.923,665 0.853,666 0.685,667 3.871,668 4.22,669 4.454,670 4.682,671 4.86,672 4.852,673 4.92,674 4.934,675 5.056,676 5.153,677 9.324,678 0.683,679 623.63,680 3.871,681 5.434,682 6.279,683 7.165,684 8.027,685 8.915,686 9.786,687 10.675,688 11.55,689 12.441,690 1.4,692 1,706 14,711 10,713 24,718 1,722 1,723 1,729 4,730 1,732 69,734 29,735 4,736 47,738 72,739 30,740 24,741 10,742 14,743 3,745 4,746 4,757 1,759 27,760 3,763 5,766 1,768 5,772 3,778 25,779 13,780 6,781 14,782 1,787 1,792 1,793 12,809 4,833 1,835 4,837 1,843 44,847 1,850 5,851 2,853 1,854 2,856 1,867 17.4,869 5,870 5,872 2,874 24.417,875 11.833,876 9.597,877 3.569,878 3.217,879 1.401,880 0.905,881 10.257,882 11.245,883 4.174,884 4.796,885 5.313,886 5.83,887 6.304,888 6.389,889 6.665,890 6.723,891 7.08,892 7.359,893 0.9,894 73,895 16.94,897 8.069,898 8.441,899 29.145,901 23.754,903 2.941,904 129.417,908 223.651,909 180.431,910 16.405,912 355.164,914 5.807,915 174.623,916 578.815,917 16.405,919 9.185,920 154.88,921 346.399,922 41.536,924 223.651,926 223.651,927 191.028,928 355.164,929 5.807,931 223.651,932 355.164,935 25.59,936 165.439,937 5.807,939 223.651,940 371.569,941 180.431,943 5.807,944 223.651,945 41.956,946 132.667,947 16.405,948 355.164,949 223.651,950 371.569,951 180.431,953 0.592,954 0.344,955 0.18,956 0.097,957 29,958 16,959 0.181,960 13,962 1,963 5.046,964 445.203,966 24,967 224.215,972 1,973 32.472,974 13.898,975 7.947,977 371.569,978 17.817,983 -4.839,985 229.822,986 775.651,987 64,990 -4.092,992 63.275,996 -3.899,998 71.709,999 76.914,1000 0.273,1001 0.588,1002 0.726,1003 0.862,1004 0.918,1005 0.924,1006 5.425,1007 2.075,1008 6.304,1009 6.676,1010 4.905,1011 5.485,1012 2.503,1013 7.155,1014 4.835,1015 6.669,1016 1.968,1017 7.902,1018 5.674,1019 4.691,1020 5.521,1022 8.305,1023 4.564,1024 8.013,1025 1.879,1026 9.61,1027 5.225,1028 6.572,1029 7.754,1030 3.271,1031 11.37,1032 6.429,1033 9.395,1034 1.809,1035 11.384,1036 5.175,1037 7.148,1038 8.589,1040 13.355,1041 6.942,1042 10.811,1043 1.371,1044 13.204,1045 4.917,1046 8.564,1047 10.365,1048 4.151,1049 16.015,1050 8.341,1051 12.253,1052 1.297,1053 15.055,1054 3.667,1055 9.485,1056 11.558,1058 18.318,1059 9.203,1060 13.717,1061 1.189,1062 16.931,1063 2.968,1064 10.742,1065 13.168,1066 5.084,1067 20.861,1068 10.435,1069 3.389,1070 1,1071 18.825,1072 2.752,1073 11.816,1074 14.529,1076 23.285,1077 11.455,1078 3.281,1079 12.506,1080 20.733,1081 2.395,1082 13.021,1083 16.077,1084 6.047,1085 25.794,1086 12.628,1087 2.977,1088 11.775,1089 22.654,1090 4.697,1091 14.161,1092 17.518,1094 28.265,1095 13.72,1096 2.652,1097 10.016,1098 24.584,1099 4.32,1100 15.354,1101 19.043,1102 7.027,1103 30.767,1104 14.876,1105 2.616,1106 8.443,1107 26.521,1108 4.03,1109 16.525,1110 20.525,1112 33.257,1113 16.002,1114 2.371,1115 7.268,1116 28.464,1117 3.615,1118 17.717,1119 22.045,1120 8.021,1121 35.76,1122 17.156,1123 2.257,1124 6.827,1125 30.413,1126 3.334,1127 18.903,1128 23.547,1130 38.26,1131 18.3,1132 32272,1133 62610,1134 29.937,1135 47.244,1136 71.211,1137 74.687,1138 73.834,1139 70.492,1140 70.355,1141 94.001,1142 7.942,1143 206.49,1144 67.839,1145 5.788,1146 6.685,1147 7.109,1148 5.388,1149 5.389,1150 7.697,1151 3.349,1152 20.051,1153 5.278,1154 29.208,1155 1.515,1156 1.589,1157 1.571,1158 1.5,1159 1.497,1160 2,1161 0.169,1162 4.393,1163 1.443,1164 4.087,1165 4.072,1166 4.736,1167 4.064,1168 7.717,1169 3.987,1170 4.012,1171 4.007,1172 3.999,1173 3.943,1174 7.475,1175 3.94,1176 3.894,1177 3.91,1178 3.841,1179 3.808,1180 7.433,1181 3.811,1182 3.866,1183 3.874,1184 3.828,1185 3.787,1186 7.426,1187 3.794,1188 3.694,1189 3.728,1190 3.678,1191 3.581,1192 6.999,1193 3.546,1194 3.5,1195 3.479,1196 3.495,1197 3.348,1198 6.491,1199 3.319,1200 3.327,1201 3.318,1202 3.291,1203 3.147,1204 6.471,1205 3.171,1206 3.29,1207 3.272,1208 3.244,1209 3.02,1210 6.466,1211 3.071,1212 0.103,1213 0.1,1214 0.155,1215 0.092,1216 0.072,1217 4.85,1218 0.1,1219 4.685,1220 0.036,1221 7.307,1222 0.266,1223 4.308,1224 0.07,1225 3.389,1226 4.697,1227 1.674,1228 12.506,1229 3.278,1230 1.962,1231 1.966,1232 2.016,1233 2.055,1234 1.222,1235 2.074,1236 1.956,1237 1.955,1238 1.998,1239 2.034,1240 1.143,1241 2.036,1242 1.864,1243 1.846,1244 1.974,1245 1.975,1246 1.095,1247 1.975,1248 1.834,1249 1.824,1250 1.914,1251 1.938,1252 1.021,1253 1.928,1254 1.631,1255 1.599,1256 1.802,1257 1.819,1258 1.011,1259 1.828,1260 1.336,1261 1.363,1262 1.326,1263 1.527,1264 0.543,1265 1.549,1266 1.213,1267 1.213,1268 1.256,1269 1.438,1270 0.459,1271 1.395,1272 1.113,1273 1.121,1274 1.203,1275 1.432,1276 0.331,1277 1.359,1278 4.554,1280 5.894,1282 7.422,1284 9.037,1286 10.699,1293 49.98,1294 -0.897,1296 2.388,1297 10.826,1299 -1.142,1305 47.108,1306 115.166,1307 247.689,1308 306.211,1309 363.124,1310 386.733,1311 389.488,1312 193.606,1313 8.027,1314 216.99,1315 225.37,1316 24,1317 12.973,1318 4.907,1319 4.17,1320 85.026,1321 250,1322 240,1323 0.162,1324 290.936,1325 529.91,1326 701.645,1327 36858,1329 32.018,1330 0.728,1331 0.532,1332 32.268,1333 23.393,1334 20.868,1335 0.444,1336 0.302,1337 12.594,1338 19.132,1339 12.289,1340 10.12,1341 21.689,1342 14.177,1343 19.667,1344 0.294,1345 0.164,1346 20.968,1347 10.972,1348 15.561,1349 0.183,1350 0.09,1351 16.665,1352 7.675,1353 12.819,1354 0.12,1355 0.049,1356 13.869,1357 5.273,1358 9.851,1359 0.077,1360 0.026,1361 10.699,1362 3.387,1363 0.259,1364 141.235,1365 0.183,1366 38.91,1367 0.432,1368 228,1369 888.09,1370 295.265,1371 853.854,1372 1109.5,1373 780,1374 266,1375 745.791,1376 339.764,1377 782.987,1378 1140.46,1379 732,1380 5.796}
{0 CHEMBL150422,1 1.669,2 14.405,3 3.991,4 15.926,5 147.122,6 9.132,7 0.533,8 4.304,9 4.358,10 4.102,11 3.87,12 5.636,13 3.878,14 4.761,15 4.833,16 4.435,17 4.242,18 6.306,19 4.242,20 5.068,21 5.182,22 4.579,23 4.399,24 6.467,25 4.391,26 5.212,27 5.332,28 4.655,29 4.37,30 6.801,31 4.392,32 5.221,33 5.34,34 4.623,35 4.344,36 6.922,37 4.365,38 5.153,39 5.283,40 4.553,41 4.356,42 6.638,43 4.363,44 5.194,45 5.315,46 4.552,47 4.353,48 6.877,49 4.354,50 5.124,51 5.296,52 4.357,53 4.298,54 6.528,55 4.253,56 0.402,57 0.845,58 11.57,59 6.421,60 74.096,61 5.516,62 0.804,63 1.308,64 16.519,65 10.091,66 121.92,67 9.678,68 1.029,69 1.743,70 29.737,71 14.129,72 169.312,73 13.543,74 1.716,75 1.915,76 39.673,77 15.404,78 301.599,79 14.019,80 2.296,81 1.864,82 40.261,83 14.903,84 378.079,85 13.616,86 1.552,87 1.782,88 36.184,89 14.664,90 265.37,91 14.005,92 2.1,93 1.81,94 34.939,95 14.407,96 362.27,97 13.661,98 1.518,99 1.752,100 39.639,101 15.071,102 248.142,103 16.276,104 102,105 65,106 0.26,107 0.557,108 0.694,109 0.826,110 0.861,111 0.868,112 3.765,113 0.904,114 -2.67,115 -2.69,116 -2.62,119 44.6,125 1,127 1,142 14,143 5,144 5,157 1,158 2,167 1,170 1,172 14,173 1,174 2,175 5,178 3,180 10,183 16,184 2,188 12,191 1,193 12,196 8,197 1,200 13,201 1,203 3,204 1,205 12,206 1,208 4,209 2,212 3,213 15,216 7,217 1,218 6,221 7,225 8,229 3,230 8,231 2,233 15,234 2,237 4,238 10,241 3,242 2,243 5,246 19,247 1,250 10,253 2,254 2,255 4,258 14,263 6,264 2,266 3,268 7,271 10,275 3632,276 27.283,277 27.283,278 27.283,279 27.283,280 27.283,281 23.62,282 24.272,283 15.727,284 27.671,285 22.114,286 22.114,287 22.114,288 22.114,289 22.114,290 16.508,291 24.048,292 7.374,293 22.771,294 4.353,295 2.451,296 1.576,297 0.731,298 0.504,299 0.462,300 4.448,306 1277,307 5.099,311 680.385,318 2.128,319 100.302,322 0.25,323 0.33,324 0.33,325 0.1,327 0.17,329 0.17,330 95.5,331 605,332 4.852,333 4.686,334 7.311,335 4.318,336 3.397,337 4.698,338 1.674,339 12.528,340 3.278,341 4.632,342 3.752,343 6.99,344 4.281,345 3.281,346 4.32,347 1.437,348 11.775,349 3.105,350 4.357,351 3.663,352 6.503,353 3.963,354 2.978,355 4.03,356 0.522,357 10.016,358 2.925,359 4.112,360 3.516,361 6.136,362 3.789,363 2.811,364 3.67,366 8.992,367 2.738,368 3.955,369 3.123,370 5.992,371 3.607,372 2.612,373 3.333,375 8.42,376 2.587,377 3.632,378 2.927,379 5.525,380 3.259,381 2.298,382 3.062,384 6.685,385 2.205,386 3.609,387 2.631,388 5.072,389 3.235,390 2.257,391 2.926,393 6.121,394 2.181,395 3.518,396 2.576,397 4.9,398 3.008,399 2.011,400 2.846,402 5.359,403 2.003,404 3.251,405 2.232,406 4.879,407 2.823,408 1.879,409 2.481,411 5.225,412 1.801,413 3.232,414 2.031,415 4.84,416 2.816,417 1.827,418 2.455,420 4.957,421 1.749,422 2.855,423 1.862,424 4.358,425 2.478,426 1.526,427 1.953,429 4.121,430 1.441,431 2.788,432 1.845,433 4.162,434 2.312,435 1.323,436 1.837,438 3.44,439 1.297,440 2.714,441 1.76,442 3.872,443 2.245,444 1.264,445 1.778,447 2.968,448 1.226,449 2.603,450 1.434,451 3.71,452 2.142,453 1.145,454 1.582,456 2.727,457 1.135,458 2.5,459 1.336,460 3.613,461 2,462 1,463 1.5,465 2.358,466 1,467 19.4,468 0.462,469 1.373,470 0.033,471 59.25,472 1.411,473 33.5,474 0.798,475 25.75,476 0.613,477 34.127,478 0.813,479 45.4,480 0.698,481 61.913,482 1.474,483 12.153,484 0.289,485 7.732,486 0.184,487 0.172,488 0.043,489 0.361,493 0.823,494 0.991,495 0.792,496 1.013,497 0.839,498 0.783,499 0.612,500 1.094,501 0.805,502 1.048,503 0.562,504 0.975,505 0.932,506 1.212,507 1.037,508 1.195,509 0.886,510 1.06,511 1.16,512 1.191,513 1.138,514 1.184,515 1.124,516 1.033,517 1.124,518 0.921,519 1.107,520 0.929,521 1.164,522 0.934,523 1.119,524 1.008,525 1,526 1.007,527 1.086,528 0.96,529 1.041,530 0.951,531 1.001,532 0.924,533 0.991,534 1.053,535 0.892,536 0.913,537 1.022,538 0.96,539 0.853,540 0.983,541 10,542 0.343,543 6.222,544 4.125,545 3.169,546 2.312,547 1.204,548 0.877,549 0.706,550 0.568,551 28681,552 107416,553 1.973,554 35.4,556 17,559 6,564 1.813,565 1.794,566 3.76,567 2.946,574 108.477,575 1.669,576 3.571,577 4.447,578 5.291,579 5.518,580 5.561,581 3.183,582 4.708,583 5.367,584 4.013,585 3454.85,586 9.498,587 62522.6,592 391.454,593 1.678,594 5.286,595 0.222,596 0.007,597 0.096,598 0.057,599 0.043,600 0.033,601 0.017,602 0.013,603 0.012,604 0.01,605 0.511,606 0.17,607 0.5,608 0.75,609 240.671,610 -0.108,611 0.102,612 0.08,613 0.09,614 -0.181,615 0.113,616 0.125,617 -0.026,618 -0.015,619 -0.037,620 0.127,621 -0.074,622 -0.103,623 -0.174,624 -0.058,625 -0.144,626 -0.079,627 -0.092,628 -0.088,629 -0.171,630 -0.06,631 -0.15,632 -0.039,633 -0.082,634 0.064,635 0.077,636 -0.066,637 0.054,638 0.035,639 -0.003,640 -0.112,641 -0.026,642 -0.021,643 -0.02,644 -0.099,645 0.013,646 0.055,647 0.019,648 -0.092,649 0.001,650 0.065,651 -0.116,652 -0.008,653 0.052,654 0.021,655 0.046,656 -0.007,657 0.078,658 4.999,659 6.018,660 0.571,661 50.263,662 1.038,663 1.112,664 1.442,665 2.078,666 0.693,667 3.829,668 4.19,669 4.443,670 4.682,671 4.875,672 4.898,673 4.963,674 4.977,675 5.094,676 5.153,677 8.824,678 0.69,679 593.6,680 3.829,681 5.398,682 6.252,683 7.146,684 8.018,685 8.914,686 9.793,687 10.69,688 11.573,689 12.471,690 1.5,692 1,706 14,711 10,713 24,718 1,722 1,723 1,729 4,732 65,734 29,735 4,736 45,738 68,739 29,740 24,741 10,742 14,743 3,745 4,746 4,757 1,759 27,760 2,763 5,766 1,768 5,772 3,778 23,779 12,780 6,781 13,782 1,787 1,792 1,793 11,809 4,833 1,835 4,837 1,843 42,847 1,850 5,851 1,853 1,854 1,856 1,867 16.9,869 5,870 5,872 1,874 23.417,875 11.167,876 9.125,877 3.361,878 3.259,879 1.409,880 0.91,881 9.187,882 11.224,883 4.143,884 4.779,885 5.313,886 5.841,887 6.332,888 6.456,889 6.748,890 6.851,891 7.215,892 7.475,893 1,894 72,895 16.191,897 7.789,898 8.462,899 27.794,901 22.867,903 2.962,904 124.417,908 200.109,909 173.781,910 16.405,912 344.164,914 5.807,915 167.973,916 544.273,917 16.405,919 4.592,920 154.88,921 346.399,922 28.478,924 200.109,926 200.109,927 184.378,928 344.164,929 5.807,931 200.109,932 344.164,935 20.997,936 163.381,937 5.807,939 200.109,940 360.569,941 173.781,943 5.807,944 200.109,945 35.306,946 132.667,947 16.405,948 344.164,949 200.109,950 360.569,951 173.781,953 0.595,954 0.35,955 0.185,956 0.1,957 29,958 16,959 0.162,960 11,962 1,963 4.827,964 426.315,966 24,967 210.477,972 1,973 30.554,974 12.629,975 6.92,977 360.569,978 17.762,983 -4.789,985 229.822,986 734.459,987 62,990 -4.082,992 63.292,996 -3.876,998 67.498,999 72.289,1000 0.277,1001 0.593,1002 0.738,1003 0.879,1004 0.916,1005 0.923,1006 5.398,1007 2.011,1008 6.286,1009 6.121,1010 4.875,1011 5.468,1012 2.423,1013 7.155,1014 4.818,1015 6.652,1016 1.879,1017 7.896,1018 5.359,1019 4.691,1020 5.521,1022 8.332,1023 4.576,1024 8.001,1025 1.827,1026 9.616,1027 5.225,1028 6.561,1029 7.752,1030 3.234,1031 11.404,1032 6.44,1033 9.39,1034 1.526,1035 11.402,1036 4.957,1037 7.163,1038 8.596,1040 13.395,1041 6.978,1042 10.812,1043 1.323,1044 13.23,1045 4.121,1046 8.575,1047 10.371,1048 4.138,1049 16.056,1050 8.378,1051 12.26,1052 1.264,1053 15.088,1054 3.44,1055 9.512,1056 11.568,1058 18.356,1059 9.254,1060 13.727,1061 1.145,1062 16.968,1063 2.968,1064 10.768,1065 13.177,1066 5.081,1067 20.896,1068 10.486,1069 3.397,1070 1,1071 18.864,1072 2.727,1073 11.849,1074 14.539,1076 23.316,1077 11.513,1078 3.281,1079 12.528,1080 20.774,1081 2.358,1082 13.054,1083 16.085,1084 6.046,1085 25.823,1086 12.685,1087 2.978,1088 11.775,1089 22.694,1090 4.698,1091 14.197,1092 17.526,1094 28.29,1095 13.779,1096 2.811,1097 10.016,1098 24.623,1099 4.32,1100 15.389,1101 19.051,1102 7.027,1103 30.791,1104 14.933,1105 2.612,1106 8.992,1107 26.559,1108 4.03,1109 16.561,1110 20.532,1112 33.28,1113 16.059,1114 2.298,1115 8.42,1116 28.5,1117 3.67,1118 17.753,1119 22.051,1120 8.021,1121 35.783,1122 17.211,1123 2.257,1124 6.685,1125 30.447,1126 3.333,1127 18.939,1128 23.553,1130 38.283,1131 18.353,1132 27759,1133 53940,1134 28.55,1135 45.028,1136 68.798,1137 71.911,1138 71.487,1139 68.014,1140 67.828,1141 91.474,1142 7.265,1143 201.956,1144 65.882,1145 5.789,1146 6.686,1147 7.113,1148 5.395,1149 5.397,1150 7.698,1151 3.349,1152 20.073,1153 5.278,1154 28.156,1155 1.529,1156 1.598,1157 1.589,1158 1.511,1159 1.507,1160 2.033,1161 0.161,1162 4.488,1163 1.464,1164 4.095,1165 4.084,1166 4.736,1167 4.071,1168 7.717,1169 3.998,1170 4.012,1171 4.008,1172 4,1173 3.943,1174 7.475,1175 3.941,1176 3.903,1177 3.922,1178 3.857,1179 3.842,1180 7.433,1181 3.836,1182 3.863,1183 3.871,1184 3.824,1185 3.786,1186 7.426,1187 3.792,1188 3.637,1189 3.645,1190 3.674,1191 3.547,1192 6.999,1193 3.486,1194 3.456,1195 3.441,1196 3.426,1197 3.252,1198 6.491,1199 3.269,1200 3.291,1201 3.273,1202 3.249,1203 3.109,1204 6.471,1205 3.115,1206 3.249,1207 3.254,1208 3.195,1209 3.018,1210 6.466,1211 3.07,1212 0.108,1213 0.104,1214 0.162,1215 0.096,1216 0.075,1217 4.852,1218 0.104,1219 4.686,1220 0.037,1221 7.311,1222 0.278,1223 4.318,1224 0.073,1225 3.397,1226 4.698,1227 1.674,1228 12.528,1229 3.278,1230 1.973,1231 1.976,1232 2.028,1233 2.062,1234 1.243,1235 2.086,1236 1.958,1237 1.955,1238 2.013,1239 2.044,1240 1.143,1241 2.036,1242 1.894,1243 1.874,1244 1.99,1245 1.974,1246 1.121,1247 1.989,1248 1.833,1249 1.822,1250 1.911,1251 1.933,1252 1.018,1253 1.924,1254 1.52,1255 1.518,1256 1.639,1257 1.712,1258 0.838,1259 1.723,1260 1.305,1261 1.317,1262 1.294,1263 1.524,1264 0.537,1265 1.523,1266 1.177,1267 1.167,1268 1.218,1269 1.437,1270 0.337,1271 1.363,1272 1.109,1273 1.118,1274 1.181,1275 1.347,1276 0.218,1277 1.323,1278 4.511,1280 5.861,1282 7.402,1284 9.03,1286 10.704,1293 50.091,1294 -0.558,1296 2.435,1297 5.268,1299 -1.127,1305 44.866,1306 108.477,1307 232.119,1308 289.032,1309 343.944,1310 358.699,1311 361.454,1312 183.405,1313 7.966,1314 207.76,1315 216.14,1316 24,1317 12.997,1318 4.907,1319 4.17,1320 79.057,1321 227,1322 196,1323 0.168,1324 277.348,1325 503.82,1326 668.488,1327 33117,1329 30.604,1330 0.729,1331 0.53,1332 30.854,1333 22.278,1334 19.885,1335 0.442,1336 0.301,1337 12.015,1338 18.28,1339 11.709,1340 9.646,1341 20.706,1342 13.564,1343 18.878,1344 0.29,1345 0.163,1346 20.179,1347 10.614,1348 15.105,1349 0.18,1350 0.09,1351 16.197,1352 7.574,1353 12.553,1354 0.117,1355 0.049,1356 13.602,1357 5.277,1358 9.689,1359 0.075,1360 0.027,1361 10.638,1362 3.511,1363 0.267,1364 134.428,1365 0.187,1366 37.303,1367 0.452,1368 220,1369 836.355,1370 283.722,1371 812.014,1372 1056.06,1373 740,1374 259,1375 710.337,1376 329.221,1377 750.653,1378 1094.92,1379 702,1380 5.319}
{0 CHEMBL1516890,1 1.489,2 7.905,3 2.508,4 6.292,5 81.405,6 8.098,7 0.667,8 3.659,9 3.768,10 3.318,11 3.282,12 4.818,13 3.273,14 4.149,15 4.294,16 3.699,17 3.685,18 5.289,19 3.664,20 4.328,21 4.494,22 3.707,23 3.765,24 5.461,25 3.716,26 4.359,27 4.561,28 3.547,29 3.707,30 5.449,31 3.625,32 4.245,33 4.444,34 3.417,35 3.558,36 5.358,37 3.475,38 4.199,39 4.428,40 3.405,41 3.435,42 5.306,43 3.376,44 4.005,45 4.193,46 3.316,47 3.336,48 5.192,49 3.294,50 4.002,51 4.225,52 2.901,53 3.166,54 5.129,55 3.07,56 0.013,57 0.494,58 5.632,59 2.734,60 4.421,61 3.329,62 0.114,63 0.812,64 10.485,65 4.486,66 11.646,67 5.605,68 0.097,69 0.937,70 13.463,71 5.919,72 16.862,73 7.443,74 0.18,75 0.952,76 15.326,77 6.197,78 26.022,79 7.996,80 0.077,81 0.818,82 13.753,83 5.886,84 20.391,85 7.586,86 0.24,87 0.803,88 14.688,89 5.463,90 28.957,91 7.127,92 0.074,93 0.671,94 10.479,95 4.17,96 16.864,97 5.229,98 0.224,99 0.669,100 11.775,101 3.82,102 33.714,103 4.413,104 5,105 35,106 0.268,107 0.658,108 0.798,109 0.88,110 0.891,111 0.891,112 3.105,113 0.845,114 -2.9,115 -2.9,116 -2.81,119 50,124 1,135 1,136 1,142 6,143 2,144 1,145 1,146 1,151 1,152 1,158 1,172 8,175 6,178 1,180 2,183 7,188 6,191 1,193 2,196 7,199 1,200 5,205 1,208 6,213 3,218 1,221 5,224 2,225 2,228 1,230 1,233 3,238 5,243 2,246 2,250 3,255 1,258 3,271 3,275 489,276 14.43,277 14.43,278 14.43,279 14.43,280 14.43,281 12.241,282 10.682,283 8.41,284 14.617,285 11.865,286 11.865,287 11.865,288 11.865,289 11.865,290 8.516,291 13.192,292 3.988,293 12.154,294 3.598,295 1.435,296 0.655,297 0.199,298 0.14,299 0.14,300 3.804,303 1,304 1,305 1,306 372,307 2.236,310 73.372,311 93.986,314 141.07,318 0.984,319 14.13,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 44.5,331 166,332 4.657,333 3.655,334 6.773,335 4.217,336 3.235,337 4.611,338 1.058,339 11.122,340 3.177,341 4.483,342 3.19,343 6.669,344 4.083,345 3.109,346 4.086,348 10.732,349 3.029,350 3.687,351 2.754,352 5.557,353 3.223,354 2.234,355 3.111,357 7.05,358 2.205,359 3.426,360 2.214,361 5.365,362 3,363 2.017,364 2.756,366 6.266,367 1.977,368 3.308,369 1.963,370 4.808,371 2.835,372 1.864,373 2.645,375 5.112,376 1.8,377 3.046,378 1.782,379 4.716,380 2.629,381 1.669,382 2.183,384 4.847,385 1.598,386 2.839,387 1.502,388 3.722,389 2.34,390 1.354,391 1.97,393 2.937,394 1.329,395 2.7,396 1.232,397 3.608,398 2.21,399 1.22,400 1.787,402 2.821,403 1.206,404 2.508,405 1.064,406 3.582,407 1.982,408 1,409 1.447,411 2.52,412 0.979,413 2.223,414 0.828,415 3.419,416 1.692,417 0.718,418 1.034,420 1.816,421 0.696,422 1.329,423 0.527,424 2.82,425 0.905,426 -0.077,427 -0.103,429 -0.201,430 -0.075,431 0.871,432 -0.208,433 2.377,434 0.454,435 -0.557,436 -0.706,438 -1.341,439 -0.539,440 0.787,441 -0.441,442 2.301,443 0.392,444 -0.581,445 -0.793,447 -1.455,448 -0.577,449 0.665,450 -0.749,451 2,452 0.155,453 -0.827,454 -1.151,456 -2.06,457 -0.807,458 0.516,459 -0.844,460 2,461 0.059,462 -0.922,463 -1.291,465 -2.306,466 -0.9,467 10.033,468 0.478,469 0.521,470 0.025,471 31.5,472 1.5,473 17.5,474 0.833,475 14,476 0.667,477 12.453,478 0.593,479 20.567,480 0.605,481 20.96,482 0.998,483 6.343,484 0.302,485 3.894,486 0.185,487 0.083,489 0.389,493 0.733,494 1.182,495 0.687,496 0.906,497 0.563,498 0.805,499 0.789,500 1.003,501 0.771,502 0.813,503 0.561,504 0.782,505 0.903,506 1.104,507 0.941,508 1.074,509 0.9,510 1.026,511 0.948,512 0.956,513 1.092,514 1.031,515 0.855,516 1.067,517 0.984,518 1.158,519 1.028,520 1.211,521 1.116,522 1.148,523 1.091,524 0.808,525 0.819,526 0.792,527 1.432,528 0.785,529 1.214,530 1.234,531 0.966,532 1.091,533 1.114,534 1.012,535 2.176,536 0.87,537 1.609,538 0.949,539 2.129,540 1.148,541 3.5,543 2.667,544 2.403,545 0.679,546 0.674,547 0.454,548 0.258,549 0.089,550 0.038,551 4340,552 11147,553 2.185,554 38.2,556 10,557 1,558 1,559 1,564 1.635,565 2.066,566 2.984,567 -0.338,569 1,571 1,574 50.626,575 1.489,576 3.652,577 4.433,578 4.889,579 4.948,580 4.948,581 2.332,582 4.107,583 4.37,584 3.071,585 644.947,586 7.499,587 6637.01,588 1,589 1,591 1,592 172.974,593 1.342,594 4.334,595 0.146,597 0.076,598 0.071,599 0.024,600 0.028,601 0.019,602 0.012,603 0.007,604 0.008,605 0.39,606 0.83,607 1,608 0.532,609 92.787,610 -0.042,611 -0.135,612 0.054,613 -0.018,614 -0.067,615 0.021,616 0.034,617 0.058,618 0.049,619 0.085,620 0.036,621 0.075,622 -0.011,623 -0.118,624 -0.06,625 -0.132,626 -0.019,627 -0.11,628 -0.028,629 0.023,630 -0.142,631 -0.069,632 0.029,633 -0.107,634 -0.014,635 -0.244,636 -0.057,637 -0.22,639 -0.159,640 0.187,641 0.157,642 0.245,643 0.196,644 -0.033,645 0.214,646 -0.079,647 -0.241,648 -0.01,649 -0.15,650 0.059,651 -0.085,652 -0.573,653 0.179,654 -0.557,655 -0.023,656 -0.424,657 -0.234,658 1.767,659 5.152,660 0.857,661 12.327,662 1.001,663 1.111,664 1.668,665 2.781,666 0.714,667 3.219,668 3.584,669 3.932,670 4.263,671 4.454,672 4.489,673 4.663,674 4.796,675 4.745,676 4.787,677 4.779,678 0.689,679 275.33,680 3.219,681 4.779,682 5.666,683 6.575,684 7.479,685 8.392,686 9.302,687 10.216,688 11.127,689 12.041,690 8.8,697 1,698 1,700 1,705 2,706 8,707 1,711 3,712 1,713 16,732 34,734 18,735 1,736 24,738 37,739 17,740 13,741 2,742 4,743 3,745 4,746 6,759 16,760 1,763 2,768 1,770 1,772 2,774 1,775 1,778 13,779 3,780 1,781 4,787 3,792 0.5,793 1,802 1,804 1,808 2,809 2,812 2,822 1,827 1,828 1,835 2,839 1,843 21,853 1,867 2.9,870 1,874 10.167,875 6.567,876 4.5,877 1.968,878 3.909,879 1.539,880 1.069,881 2.61,882 11.159,883 3.555,884 4.23,885 4.917,886 5.572,887 6.116,888 6.448,889 6.939,890 7.397,891 7.63,892 8.021,893 1,894 34,895 7.734,897 3.379,898 7.698,899 14.788,901 12.462,903 2.198,904 46.167,905 0.001,908 141.253,909 114.131,910 36.695,912 25.145,915 114.131,916 166.398,917 36.695,918 8.396,919 18.011,920 75.381,921 58.406,922 25.404,923 13.915,924 117.711,926 141.253,927 150.827,928 25.145,931 141.253,932 25.145,935 31.714,936 92.851,937 26.262,939 141.253,940 61.84,941 114.131,944 141.253,945 21.306,946 94.724,947 18.011,948 41.93,949 141.253,950 61.84,951 114.131,953 0.589,954 0.362,955 0.212,956 0.113,957 20,958 8,959 0.027,960 1,961 2,962 1.222,963 3.345,964 174.398,965 0.222,966 18,967 88.239,973 12.215,974 4.487,975 1.851,976 2.272,977 59.941,978 15.571,979 4.316,983 2.515,984 2.063,985 18.011,986 317.225,987 34,992 12.152,994 1.913,996 0.513,998 34.051,999 37.78,1000 0.293,1001 0.718,1002 0.871,1003 0.961,1004 0.973,1005 0.973,1006 4.796,1007 1.22,1008 5.666,1009 2.937,1010 4.263,1011 4.916,1012 1.176,1013 6.538,1014 4.217,1015 6.038,1016 1,1017 7.259,1018 2.821,1019 3.892,1020 4.783,1022 7.535,1023 3.83,1024 7.372,1025 0.718,1026 8.955,1027 2.52,1028 5.905,1029 7.22,1030 1.255,1031 10.693,1032 5.817,1033 8.748,1034 -0.077,1035 10.713,1036 1.816,1037 6.399,1038 7.965,1040 12.554,1041 6.292,1042 10.16,1043 -0.557,1044 12.509,1045 -0.201,1046 7.883,1047 9.853,1048 1.338,1049 15.211,1050 7.754,1051 11.598,1052 -0.581,1053 14.332,1054 -1.341,1055 8.766,1056 11.014,1058 17.406,1059 8.617,1060 13.057,1061 -0.827,1062 16.175,1063 -1.455,1064 10.046,1065 12.676,1066 1.422,1067 19.894,1068 9.876,1069 3.235,1070 -0.922,1071 18.032,1072 -2.06,1073 11.095,1074 14.03,1076 22.214,1077 10.904,1078 3.109,1079 11.122,1080 19.899,1081 -2.306,1082 12.298,1083 15.6,1084 1.51,1085 24.643,1086 12.087,1087 2.234,1088 10.732,1089 21.774,1090 4.611,1091 13.414,1092 17.042,1094 27.01,1095 13.182,1096 2.017,1097 7.05,1098 23.656,1099 4.086,1100 14.589,1101 18.576,1102 1.599,1103 29.418,1104 14.337,1105 1.864,1106 6.266,1107 25.543,1108 3.111,1109 15.731,1110 20.056,1112 31.803,1113 15.459,1114 1.669,1115 5.112,1116 27.434,1117 2.756,1118 16.897,1119 21.577,1120 1.69,1121 34.203,1122 16.604,1123 1.354,1124 4.847,1125 29.328,1126 2.645,1127 18.05,1128 23.077,1130 36.594,1131 17.738,1132 4069,1133 6630,1134 16.414,1135 24.279,1136 37.421,1137 38.125,1138 38.107,1139 36.834,1140 36.837,1141 51.263,1142 2.117,1143 110.444,1144 35.993,1145 5.466,1146 5.655,1147 6.454,1148 5.255,1149 5.235,1150 7.611,1151 2.117,1152 18.184,1153 5.177,1154 7.639,1155 1.559,1156 1.589,1157 1.588,1158 1.535,1159 1.535,1160 2.136,1161 0.088,1162 4.602,1163 1.5,1164 4.153,1165 4.184,1166 4.117,1167 4.071,1168 7.429,1169 4.078,1170 3.953,1171 3.988,1172 3.919,1173 3.84,1174 4.961,1175 3.854,1176 3.497,1177 3.542,1178 3.418,1179 3.404,1180 4.87,1181 3.4,1182 3.411,1183 3.465,1184 3.312,1185 3.238,1186 4.325,1187 3.249,1188 3.123,1189 3.189,1190 3.005,1191 2.941,1192 4.112,1193 2.944,1194 2.833,1195 2.909,1196 2.724,1197 2.663,1198 3.943,1199 2.664,1200 2.794,1201 2.881,1202 2.569,1203 2.615,1204 3.754,1205 2.596,1206 2.613,1207 2.647,1208 2.539,1209 2.394,1210 3.539,1211 2.433,1212 0.194,1213 0.152,1214 0.282,1215 0.176,1216 0.135,1217 4.657,1218 0.192,1219 3.655,1220 0.044,1221 6.773,1222 0.463,1223 4.217,1224 0.132,1225 3.235,1226 4.611,1227 1.058,1228 11.122,1229 3.177,1230 1.947,1231 1.926,1232 2.037,1233 2.027,1234 1.175,1235 2.031,1236 1.823,1237 1.791,1238 1.917,1239 1.946,1240 0.999,1241 1.939,1242 1.65,1243 1.609,1244 1.792,1245 1.82,1246 0.877,1247 1.814,1248 1.395,1249 1.345,1250 1.585,1251 1.621,1252 0.651,1253 1.601,1254 1.102,1255 1.053,1256 1.29,1257 1.327,1258 0.343,1259 1.329,1260 0.932,1261 0.879,1262 1.158,1263 1.1,1264 0.202,1265 1.129,1266 0.803,1267 0.735,1268 1.053,1269 0.976,1270 0.181,1271 1.006,1272 0.682,1273 0.595,1274 1.009,1275 0.909,1276 0.086,1277 0.953,1278 3.892,1280 5.242,1281 3.045,1282 6.79,1283 5.533,1284 8.426,1285 7.711,1286 10.108,1288 2.005,1296 2.846,1305 23.413,1306 50.626,1307 124.18,1308 150.709,1309 166.219,1310 168.219,1311 168.219,1312 24.96,1313 7.25,1314 50.68,1315 50.68,1316 22,1317 12.554,1318 4.248,1319 3.459,1320 27.912,1321 61,1322 50,1323 0.233,1324 142.299,1325 238.55,1326 338.97,1327 13046,1329 14.397,1330 0.686,1331 0.548,1332 14.397,1333 11.499,1334 10.237,1335 0.427,1336 0.282,1337 6.686,1338 9.938,1339 6.509,1340 5.406,1341 10.237,1342 6.764,1343 9.406,1344 0.269,1345 0.146,1346 9.406,1347 5.124,1348 8.384,1349 0.168,1350 0.076,1351 8.384,1352 3.783,1353 7.502,1354 0.107,1355 0.04,1356 7.502,1357 2.795,1358 6.078,1359 0.072,1360 0.022,1361 6.078,1362 1.837,1363 0.351,1364 63.522,1365 0.247,1366 20.324,1367 0.68,1368 118,1369 317.359,1370 126.07,1371 315.201,1372 443.74,1373 296,1374 144,1375 339.172,1376 153.015,1377 347.992,1378 513.39,1379 328,1380 5.1}
{0 CHEMBL151731,1 1.562,2 15.14,3 4.147,4 17.198,5 149.994,6 8.641,7 0.522,8 4.341,9 4.409,10 3.982,11 3.868,12 5.705,13 3.895,14 4.782,15 4.869,16 4.362,17 4.243,18 6.221,19 4.255,20 5.106,21 5.236,22 4.495,23 4.389,24 6.478,25 4.397,26 5.238,27 5.387,28 4.536,29 4.349,30 6.766,31 4.375,32 5.202,33 5.337,34 4.521,35 4.323,36 6.844,37 4.345,38 5.182,39 5.331,40 4.473,41 4.354,42 6.635,43 4.359,44 5.238,45 5.389,46 4.475,47 4.358,48 6.818,49 4.355,50 5.167,51 5.347,52 4.334,53 4.304,54 6.498,55 4.283,56 0.395,57 0.851,58 10.66,59 6.345,60 66.693,61 5.994,62 0.662,63 1.327,64 17.078,65 10.045,66 94.179,67 10.505,68 0.985,69 1.767,70 28.705,71 13.403,72 153.126,73 14.269,74 1.656,75 1.898,76 38.4,77 14.628,78 283.256,79 15.788,80 2.02,81 1.82,82 36.658,83 13.656,84 346.867,85 14.408,86 1.483,87 1.822,88 35.406,89 14.218,90 244.9,91 15.478,92 1.938,93 1.885,94 39.092,95 14.767,96 319.462,97 16.08,98 1.5,99 1.776,100 38.792,101 14.361,102 240.496,103 16.356,104 102,105 65,106 0.242,107 0.552,108 0.698,109 0.809,110 0.855,111 0.872,112 3.787,113 0.825,114 -2.71,115 -2.73,116 -2.65,119 45.6,121 1,125 1,127 1,142 13,143 6,144 5,157 1,158 3,167 1,170 1,172 15,173 1,174 1,175 6,178 2,180 13,183 18,184 2,188 10,191 1,193 13,196 10,197 1,200 9,201 1,203 3,204 1,205 13,206 1,208 5,209 2,212 2,213 11,216 7,217 1,218 8,221 8,225 7,228 1,229 3,230 8,231 2,233 14,234 2,237 3,238 12,241 2,242 3,243 5,246 17,247 1,250 9,253 1,254 2,255 5,258 20,263 6,264 2,266 4,268 4,271 15,275 4074,276 28.068,277 28.068,278 28.068,279 28.068,280 28.068,281 24.526,282 26.252,283 16.236,284 28.36,285 22.597,286 22.597,287 22.597,288 22.597,289 22.597,290 17.202,291 22.641,292 7.658,293 23.08,294 4.525,295 2.53,296 1.593,297 0.875,298 0.581,299 0.471,300 4.472,306 1373,307 4.95,311 706.248,318 2.189,319 95.797,322 0.25,323 0.33,324 0.33,325 0.1,327 0.17,329 0.17,330 97.5,331 651,332 4.632,333 3.752,334 6.99,335 4.281,336 3.281,337 4.32,338 1.674,339 11.775,340 3.278,341 4.357,342 3.663,343 6.503,344 3.963,345 2.978,346 4.03,347 1.437,348 10.016,349 2.925,350 4.192,351 3.572,352 6.061,353 3.856,354 2.862,355 3.759,356 1.058,357 8.744,358 2.844,359 4.028,360 3.515,361 5.998,362 3.664,363 2.676,364 3.619,366 8.439,367 2.64,368 3.958,369 2.931,370 5.58,371 3.607,372 2.613,373 3.334,375 7.65,376 2.587,377 3.692,378 2.882,379 5.525,380 3.35,381 2.387,382 3.03,384 6.687,385 2.289,386 3.628,387 2.645,388 5.174,389 3.243,390 2.261,391 2.926,393 6.472,394 2.2,395 3.5,396 2.631,397 5.004,398 3.178,399 2.209,400 2.753,402 5.96,403 2.128,404 3.264,405 2.562,406 4.879,407 2.903,408 1.939,409 2.481,411 5.454,412 1.859,413 3.232,414 2.232,415 4.843,416 2.816,417 1.879,418 2.464,420 5.225,421 1.785,422 3.165,423 2.214,424 4.803,425 2.804,426 1.805,427 2.282,429 4.925,430 1.749,431 2.827,432 1.901,433 4.25,434 2.36,435 1.389,436 1.917,438 3.725,439 1.338,440 2.776,441 1.848,442 4.009,443 2.294,444 1.307,445 1.798,447 3.218,448 1.273,449 2.692,450 1.797,451 3.87,452 2.22,453 1.21,454 1.661,456 2.967,457 1.205,458 2.5,459 1.476,460 3.708,461 2,462 1,463 1.5,465 2.374,466 1,467 19.567,468 0.455,469 1.32,470 0.031,471 59,472 1.372,473 32.5,474 0.756,475 26.5,476 0.616,477 35.819,478 0.833,479 46.433,480 0.683,481 61.224,482 1.424,483 12.32,484 0.287,485 8.119,486 0.189,487 0.17,489 0.409,493 0.911,494 0.926,495 0.755,496 0.856,497 0.854,498 0.772,499 0.623,500 1.138,501 0.738,502 1.1,503 0.556,504 0.996,505 0.928,506 1.19,507 0.938,508 1.168,509 0.88,510 1.08,511 1.078,512 1.12,513 0.963,514 1.063,515 1.031,516 0.992,517 1.003,518 0.988,519 1.027,520 0.958,521 1.099,522 0.986,523 0.994,524 1.06,525 0.983,526 1.045,527 0.927,528 1.018,529 0.987,530 0.969,531 1.062,532 0.984,533 0.885,534 1.033,535 1.019,536 0.852,537 0.992,538 0.872,539 1.047,540 0.912,541 10,542 0.429,543 5.556,544 3.813,545 3.182,546 1.91,547 1.119,548 0.97,549 0.628,550 0.545,551 31534,552 114126,553 1.979,554 36.8,556 16,559 7,561 2,564 1.819,565 1.804,566 3.831,567 3.691,574 106.217,575 1.562,576 3.557,577 4.494,578 5.213,579 5.506,580 5.617,581 3.255,582 5.008,583 5.4,584 4.086,585 3690.05,586 9.566,587 69259.6,592 413.947,593 1.549,594 5.327,595 0.217,596 0.008,597 0.085,598 0.054,599 0.045,600 0.028,601 0.017,602 0.015,603 0.011,604 0.009,605 0.489,606 0.17,607 0.5,608 0.742,609 249.43,610 -0.165,611 0.16,612 -0.057,613 0.176,614 -0.166,615 0.121,616 0.074,617 -0.065,618 -0.001,619 -0.07,620 0.078,621 -0.066,622 -0.098,623 -0.154,624 -0.062,625 -0.17,626 -0.082,627 -0.118,628 -0.038,629 -0.133,630 0.042,631 -0.092,632 0.004,633 -0.019,634 0.109,635 0.016,636 -0.03,637 0.001,638 0.062,639 -0.048,640 -0.033,641 -0.066,642 -0.01,643 -0.06,644 -0.014,645 -0.035,646 0.055,647 0.013,648 -0.053,649 -0.01,650 0.097,651 -0.055,652 -0.083,653 0.116,654 0.042,655 0.118,656 -0.121,657 0.122,658 3.196,659 6.034,660 0.558,661 55.657,662 1.034,663 1.114,664 1.485,665 2.205,666 0.679,667 3.85,668 4.19,669 4.431,670 4.663,671 4.86,672 4.875,673 4.92,674 4.949,675 5.069,676 5.165,677 9.244,678 0.679,679 587.57,680 3.85,681 5.407,682 6.252,683 7.132,684 7.993,685 8.875,686 9.744,687 10.628,688 11.502,689 12.388,690 1.5,697 1,706 13,711 11,713 24,718 1,720 1,722 1,723 1,729 5,732 68,734 28,735 4,736 46,738 71,739 31,740 24,741 11,742 13,743 4,745 4,746 4,757 2,759 28,760 3,763 4,768 4,772 4,778 25,779 12,780 7,781 12,787 1,792 1,793 11,809 4,833 1,835 4,843 43,850 6,851 2,853 1,854 1,856 1,867 16.2,869 6,870 4,872 1,874 23.833,875 11.7,876 9.417,877 3.592,878 3.255,879 1.406,880 0.89,881 9.799,882 11.278,883 4.143,884 4.745,885 5.291,886 5.815,887 6.307,888 6.422,889 6.652,890 6.762,891 7.117,892 7.403,893 0.9,894 71,895 16.21,897 7.429,898 8.415,899 28.439,901 23.071,903 2.915,904 125.333,908 211.88,909 167.371,910 18.011,912 367.68,915 167.371,916 579.559,917 18.011,919 25.138,920 123.191,921 374.619,922 30.113,924 211.88,926 211.88,927 185.382,928 367.68,931 188.338,932 391.222,935 25.138,936 160.244,939 211.88,940 385.69,941 167.371,944 211.88,945 44.18,946 123.191,947 18.011,948 367.68,949 211.88,950 385.69,951 167.371,953 0.591,954 0.344,955 0.18,956 0.099,957 28,958 16,959 0.155,960 11,962 1,963 4.993,964 430.684,966 24,967 219.329,973 31.214,974 13.499,975 7.569,977 385.69,978 16.583,983 -3.882,985 274.111,986 764.941,987 62,992 50.247,996 -4.287,998 70.305,999 75.784,1000 0.257,1001 0.584,1002 0.738,1003 0.856,1004 0.905,1005 0.923,1006 5.389,1007 2.209,1008 6.26,1009 6.472,1010 4.875,1011 5.434,1012 2.563,1013 7.077,1014 4.837,1015 6.616,1016 1.939,1017 7.834,1018 5.96,1019 4.575,1020 5.316,1022 8.019,1023 4.517,1024 7.932,1025 1.879,1026 9.506,1027 5.454,1028 6.485,1029 7.615,1030 3.323,1031 11.115,1032 6.424,1033 9.279,1034 1.805,1035 11.235,1036 5.225,1037 6.948,1038 8.254,1040 12.886,1041 6.879,1042 10.654,1043 1.389,1044 13.001,1045 4.925,1046 8.372,1047 10.075,1048 4.182,1049 15.535,1050 8.3,1051 12.05,1052 1.307,1053 14.794,1054 3.725,1055 9.187,1056 11.078,1058 17.677,1059 9.114,1060 13.464,1061 1.21,1062 16.609,1063 3.218,1064 10.427,1065 12.695,1066 5.1,1067 20.179,1068 10.351,1069 3.281,1070 1,1071 18.441,1072 2.967,1073 11.412,1074 13.89,1076 22.489,1077 11.338,1078 2.978,1079 11.775,1080 20.287,1081 2.374,1082 12.583,1083 15.411,1084 6.054,1085 24.946,1086 12.507,1087 2.862,1088 10.016,1089 22.145,1090 4.32,1091 13.652,1092 16.712,1094 27.333,1095 13.578,1096 2.676,1097 8.744,1098 24.014,1099 4.03,1100 14.802,1101 18.186,1102 7.031,1103 29.78,1104 14.728,1105 2.613,1106 8.439,1107 25.892,1108 3.759,1109 15.914,1110 19.546,1112 32.202,1113 15.841,1114 2.387,1115 7.65,1116 27.777,1117 3.619,1118 17.062,1119 20.999,1120 8.022,1121 34.65,1122 16.99,1123 2.261,1124 6.687,1125 29.669,1126 3.334,1127 18.197,1128 22.393,1130 37.091,1131 18.127,1132 30497,1133 58236,1134 29.361,1135 46.142,1136 69.704,1137 72.981,1138 72.643,1139 68.728,1140 68.569,1141 90.71,1142 8.339,1143 198.907,1144 67.1,1145 5.567,1146 5.752,1147 6.519,1148 5.35,1149 5.281,1150 7.32,1151 3.349,1152 19.32,1153 5.278,1154 29.001,1155 1.515,1156 1.587,1157 1.579,1158 1.494,1159 1.491,1160 1.972,1161 0.181,1162 4.324,1163 1.459,1164 4.037,1165 4.045,1166 4.006,1167 3.956,1168 7.476,1169 3.965,1170 3.952,1171 3.973,1172 3.897,1173 3.875,1174 7.435,1175 3.875,1176 3.895,1177 3.915,1178 3.837,1179 3.828,1180 7.428,1181 3.827,1182 3.865,1183 3.873,1184 3.827,1185 3.786,1186 7.426,1187 3.793,1188 3.62,1189 3.662,1190 3.532,1191 3.438,1192 6.492,1193 3.451,1194 3.361,1195 3.35,1196 3.336,1197 3.16,1198 6.473,1199 3.196,1200 3.29,1201 3.272,1202 3.246,1203 3.022,1204 6.468,1205 3.072,1206 3.215,1207 3.227,1208 3.149,1209 3.008,1210 6.466,1211 3.042,1212 0.101,1213 0.082,1214 0.152,1215 0.093,1216 0.071,1217 4.632,1218 0.094,1219 3.752,1220 0.036,1221 6.99,1222 0.256,1223 4.281,1224 0.071,1225 3.281,1226 4.32,1227 1.674,1228 11.775,1229 3.278,1230 1.96,1231 1.955,1232 2.047,1233 2.055,1234 1.277,1235 2.044,1236 1.926,1237 1.901,1238 2.015,1239 2.032,1240 1.142,1241 2.03,1242 1.886,1243 1.866,1244 1.988,1245 1.977,1246 1.063,1247 1.982,1248 1.834,1249 1.824,1250 1.912,1251 1.936,1252 1.02,1253 1.926,1254 1.566,1255 1.521,1256 1.76,1257 1.774,1258 0.953,1259 1.769,1260 1.227,1261 1.23,1262 1.331,1263 1.475,1264 0.484,1265 1.412,1266 1.117,1267 1.122,1268 1.265,1269 1.437,1270 0.334,1271 1.36,1272 1.104,1273 1.091,1274 1.24,1275 1.355,1276 0.222,1277 1.321,1278 4.533,1280 5.866,1282 7.385,1284 8.989,1286 10.641,1293 59.58,1294 -0.195,1296 2.732,1297 5.339,1299 -0.784,1305 46.206,1306 106.217,1307 241.888,1308 305.603,1309 354.464,1310 374.438,1311 381.947,1312 182.939,1313 8.023,1314 210.92,1315 210.92,1316 24,1317 12.922,1318 4.858,1319 4.087,1320 82.019,1321 242,1322 232,1323 0.161,1324 282.474,1325 517.27,1326 680.997,1327 36485,1329 31.258,1330 0.727,1331 0.517,1332 31.258,1333 22.222,1334 20.438,1335 0.444,1336 0.275,1337 12.453,1338 19.566,1339 12.261,1340 10.101,1341 20.438,1342 12.651,1343 19.031,1344 0.293,1345 0.145,1346 19.031,1347 9.41,1348 15.29,1349 0.184,1350 0.077,1351 15.29,1352 6.358,1353 12.528,1354 0.119,1355 0.041,1356 12.528,1357 4.254,1358 9.758,1359 0.076,1360 0.022,1361 9.758,1362 2.785,1363 0.258,1364 129.721,1365 0.185,1366 38.233,1367 0.431,1368 222,1369 829.909,1370 249.186,1371 785.965,1372 1019.53,1373 720,1374 259,1375 706.154,1376 283.645,1377 710.861,1378 1034.64,1379 666,1380 5.538}
{0 CHEMBL151800,1 1.483,2 14.212,3 3.985,4 15.883,5 115.664,6 8.537,7 0.514,8 4.088,9 4.151,10 3.717,11 3.614,12 5.45,13 3.639,14 4.529,15 4.617,16 4.087,17 3.981,18 5.971,19 3.989,20 4.83,21 4.96,22 4.219,23 4.115,24 6.198,25 4.124,26 4.939,27 5.073,28 4.269,29 4.059,30 6.54,31 4.091,32 4.897,33 5.025,34 4.2,35 3.989,36 6.61,37 4.012,38 4.824,39 4.976,40 4.056,41 3.928,42 6.284,43 3.94,44 4.789,45 4.929,46 3.992,47 3.84,48 6.456,49 3.846,50 4.659,51 4.853,52 3.677,53 3.688,54 5.975,55 3.657,56 0.308,57 0.638,58 8.554,59 5.133,60 54.944,61 4.891,62 0.538,63 0.993,64 14.083,65 8.117,66 82.047,67 8.571,68 0.732,69 1.295,70 22.722,71 10.627,72 120.672,73 11.471,74 1.269,75 1.361,76 28.132,77 11.062,78 220.73,79 11.819,80 1.575,81 1.279,82 27.687,83 10.354,84 285.281,85 10.983,86 1.121,87 1.213,88 26.403,89 9.912,90 190.208,91 10.652,92 1.398,93 1.142,94 25.588,95 9.277,96 233.321,97 9.836,98 1.034,99 1.018,100 25.385,101 8.46,102 178.565,103 9.656,104 66,105 49,106 0.244,107 0.576,108 0.728,109 0.834,110 0.861,111 0.87,112 3.531,113 0.84,114 -3.36,115 -3.35,116 -3.2,119 45.3,121 2,125 1,142 9,143 5,144 4,157 1,158 2,167 1,170 1,172 12,173 1,174 1,175 6,178 1,180 9,183 15,184 2,188 8,193 8,196 10,197 1,200 7,201 1,203 3,204 1,205 8,206 1,208 7,209 2,212 1,213 9,216 6,217 1,218 5,221 7,225 3,229 2,230 7,231 2,233 8,234 2,237 2,238 6,241 2,242 2,243 7,246 9,247 1,250 5,253 1,255 3,258 8,263 5,264 2,266 2,268 2,271 6,275 1935,276 21.535,277 21.535,278 21.535,279 21.535,280 21.535,281 18.861,282 20.176,283 12.562,284 21.771,285 17.187,286 17.187,287 17.187,288 17.187,289 17.187,290 13.083,291 16.009,292 5.893,293 17.566,294 4.245,295 2.237,296 1.314,297 0.67,298 0.505,299 0.453,300 4.206,304 1,305 1,306 981,307 4.183,311 385.53,318 2.388,319 72.347,322 1,323 0.67,324 0.83,325 0.6,327 0.83,328 0.5,329 0.63,330 75,331 469,332 4.632,333 3.752,334 6.99,335 4.281,336 3.281,337 4.32,338 1.674,339 11.775,340 3.278,341 4.357,342 3.659,343 6.503,344 3.962,345 2.976,346 4.029,347 1.437,348 10.016,349 2.925,350 4.012,351 3.515,352 5.998,353 3.621,354 2.632,355 3.614,357 8.433,358 2.597,359 3.957,360 2.929,361 5.525,362 3.6,363 2.609,364 3.333,366 7.154,367 2.581,368 3.628,369 2.814,370 5.412,371 3.244,372 2.262,373 2.926,375 6.685,376 2.201,377 3.426,378 2.631,379 4.889,380 3.081,381 2.116,382 2.708,384 5.696,385 2.032,386 3.254,387 2.427,388 4.879,389 2.83,390 1.879,391 2.481,393 5.225,394 1.806,395 3.232,396 2.232,397 4.84,398 2.816,399 1.838,400 2.457,402 4.954,403 1.749,404 2.85,405 1.934,406 4.273,407 2.505,408 1.555,409 1.945,411 3.852,412 1.465,413 2.782,414 1.847,415 3.89,416 2.305,417 1.316,418 1.813,420 2.968,421 1.289,422 2.518,423 1.771,424 3.719,425 2.17,426 1.165,427 1.5,429 2.759,430 1.157,431 2.5,432 1.336,433 3.497,434 2,435 1,436 1.455,438 2.284,439 1,440 2.407,441 1,442 3.414,443 1.941,444 0.926,445 1.29,447 2.275,448 0.925,449 1.613,450 0.974,451 3.001,452 1.36,453 0.397,454 0.459,456 0.88,457 0.377,458 1.269,459 0.637,460 2.695,461 0.916,462 -0.032,463 -0.037,465 -0.082,466 -0.029,467 15,468 0.455,469 0.988,470 0.03,471 44.5,472 1.348,473 24.5,474 0.742,475 20,476 0.606,477 25.093,478 0.76,479 36,480 0.679,481 41.44,482 1.256,483 9.223,484 0.279,485 6.462,486 0.196,487 0.178,489 0.4,493 0.907,494 0.901,495 0.761,496 0.88,497 0.863,498 0.794,499 0.62,500 1.092,501 0.727,502 1.088,503 0.543,504 0.983,505 0.91,506 1.159,507 0.861,508 1.141,509 0.862,510 1.022,511 1.04,512 1.115,513 0.929,514 1.095,515 1.008,516 1.001,517 0.984,518 0.998,519 1.015,520 1.002,521 1.088,522 1.015,523 1.141,524 1.017,525 1.029,526 1.005,527 1.075,528 0.982,529 1.085,530 1.016,531 1.146,532 1.029,533 0.988,534 1.09,535 1.176,536 0.8,537 1.102,538 0.805,539 1.245,540 0.895,541 7,542 0.215,543 4.222,544 3.063,545 2.48,546 1.396,547 0.815,548 0.59,549 0.353,550 0.291,551 15733,552 56723,553 1.959,554 37.7,555 2,556 11,559 5,561 2,564 1.749,565 1.784,566 3.701,567 2.341,569 1,574 78.573,575 1.483,576 3.491,577 4.414,578 5.058,579 5.223,580 5.275,581 3.23,582 4.37,583 5.01,584 3.954,585 2087.92,586 8.758,587 32315.8,589 1,592 303.58,593 1.556,594 4.943,595 0.2,596 0.007,597 0.086,598 0.057,599 0.047,600 0.029,601 0.019,602 0.016,603 0.012,604 0.01,605 0.483,606 0.17,607 1,608 0.801,609 177.766,610 -0.158,611 0.17,612 -0.056,613 0.171,614 -0.164,615 0.114,616 0.084,617 -0.04,618 0.026,619 -0.044,620 0.095,621 -0.034,622 -0.089,623 -0.149,624 0.018,625 -0.13,626 -0.07,627 -0.044,628 0.015,629 -0.136,630 0.053,631 -0.124,632 0.055,633 -0.047,634 0.161,635 -0.023,636 -0.012,637 -0.041,638 0.124,639 -0.079,640 -0.1,641 -0.044,642 -0.021,643 -0.035,644 -0.081,645 -0.008,646 0.066,647 -0.05,648 -0.12,649 -0.073,650 0.105,651 -0.143,652 -0.155,653 0.15,654 -0.014,655 0.158,656 -0.203,657 0.134,658 3.152,659 5.807,660 0.545,661 41.482,662 1.034,663 1.114,664 2.134,665 4.555,666 0.674,667 3.584,668 3.912,669 4.159,670 4.394,671 4.564,672 4.554,673 4.575,674 4.533,675 4.635,676 4.673,677 8.243,678 0.674,679 452.44,680 3.584,681 5.13,682 5.974,683 6.853,684 7.716,685 8.601,686 9.473,687 10.361,688 11.239,689 12.129,706 9,711 9,713 18,718 1,722 1,723 1,729 4,732 53,734 21,735 3,736 35,738 55,739 24,740 18,741 9,742 9,743 3,745 3,746 3,757 2,759 21,760 3,763 3,768 3,772 3,775 1,778 20,779 9,780 5,781 9,792 1,793 9,809 3,833 1,835 3,843 33,850 5,851 3,854 1,867 17,869 5,870 3,872 1,874 18.5,875 9.167,876 7.306,877 2.903,878 3.188,879 1.427,880 0.879,881 7.582,882 10.651,883 3.871,884 4.472,885 5.032,886 5.572,887 6.059,888 6.18,889 6.436,890 6.529,891 6.879,892 7.125,893 1,894 54,895 12.41,897 5.636,898 8.439,899 21.818,901 17.553,903 2.939,904 97,907 1,908 176.567,909 124.11,912 299.851,915 124.11,916 476.418,919 9.661,920 85.286,921 302.086,922 26.928,924 176.567,926 176.567,927 124.11,928 299.851,931 153.024,932 323.394,935 9.661,936 114.449,939 176.567,940 299.851,941 124.11,944 176.567,945 38.824,946 85.286,948 299.851,949 176.567,950 299.851,951 124.11,953 0.587,954 0.345,955 0.184,956 0.099,957 21,958 12,959 0.164,960 9,962 1,963 4.281,964 291.515,966 18,967 156.465,973 24.104,974 10.381,975 5.634,977 299.851,978 11.813,983 -3.136,985 213.417,986 600.528,987 47,992 36.473,996 -3.464,998 54.782,999 59.037,1000 0.259,1001 0.61,1002 0.771,1003 0.883,1004 0.912,1005 0.921,1006 5.109,1007 1.838,1008 5.979,1009 5.225,1010 4.595,1011 5.159,1012 2.374,1013 6.806,1014 4.557,1015 6.336,1016 1.555,1017 7.559,1018 4.954,1019 4.29,1020 5.066,1022 7.786,1023 4.233,1024 7.655,1025 1.316,1026 9.241,1027 3.852,1028 6.205,1029 7.359,1030 3.228,1031 10.902,1032 6.147,1033 9.01,1034 1.165,1035 10.984,1036 2.968,1037 6.686,1038 8.038,1040 12.727,1041 6.621,1042 10.394,1043 1,1044 12.766,1045 2.759,1046 8.113,1047 9.85,1048 4.138,1049 15.395,1050 8.049,1051 11.801,1052 0.926,1053 14.577,1054 2.284,1055 8.956,1056 10.895,1058 17.576,1059 8.889,1060 13.226,1061 0.397,1062 16.409,1063 2.275,1064 10.202,1065 12.507,1066 5.081,1067 20.095,1068 10.135,1069 3.281,1070 -0.032,1071 18.259,1072 0.88,1073 11.215,1074 13.736,1076 22.428,1077 11.147,1078 2.976,1079 11.775,1080 20.123,1081 -0.082,1082 12.396,1083 15.256,1084 6.046,1085 24.897,1086 12.328,1087 2.632,1088 10.016,1089 21.997,1090 4.32,1091 13.487,1092 16.584,1094 27.297,1095 13.42,1096 2.609,1097 8.433,1098 23.882,1099 4.029,1100 14.649,1101 18.061,1102 7.027,1103 29.752,1104 14.583,1105 2.262,1106 7.154,1107 25.773,1108 3.614,1109 15.779,1110 19.441,1112 32.182,1113 15.713,1114 2.116,1115 6.685,1116 27.672,1117 3.333,1118 16.939,1119 20.899,1120 8.021,1121 34.635,1122 16.874,1123 1.879,1124 5.696,1125 29.576,1126 2.926,1127 18.088,1128 22.309,1130 37.079,1131 18.025,1132 15447,1133 29525,1134 22.194,1135 35.705,1136 52.734,1137 55.177,1138 55.26,1139 52.073,1140 51.907,1141 68.662,1142 6.222,1143 149.91,1144 50.762,1145 5.549,1146 5.752,1147 6.675,1148 5.328,1149 5.281,1150 7.32,1151 3.349,1152 19.32,1153 5.278,1154 21.601,1155 1.507,1156 1.576,1157 1.579,1158 1.488,1159 1.483,1160 1.962,1161 0.178,1162 4.283,1163 1.45,1164 4.028,1165 4.032,1166 4,1167 3.95,1168 7.476,1169 3.96,1170 3.925,1171 3.949,1172 3.858,1173 3.858,1174 7.433,1175 3.854,1176 3.865,1177 3.873,1178 3.827,1179 3.786,1180 7.426,1181 3.793,1182 3.57,1183 3.61,1184 3.466,1185 3.395,1186 6.491,1187 3.396,1188 3.323,1189 3.319,1190 3.265,1191 3.152,1192 6.471,1193 3.178,1194 3.29,1195 3.272,1196 3.238,1197 3.02,1198 6.466,1199 3.071,1200 3.087,1201 3.103,1202 3.016,1203 2.865,1204 6.446,1205 2.893,1206 2.992,1207 3.006,1208 2.897,1209 2.755,1210 6.351,1211 2.78,1212 0.132,1213 0.107,1214 0.2,1215 0.122,1216 0.094,1217 4.632,1218 0.123,1219 3.752,1220 0.048,1221 6.99,1222 0.336,1223 4.281,1224 0.094,1225 3.281,1226 4.32,1227 1.674,1228 11.775,1229 3.278,1230 1.96,1231 1.955,1232 2.049,1233 2.053,1234 1.277,1235 2.039,1236 1.916,1237 1.891,1238 2.015,1239 2.01,1240 1.142,1241 2.021,1242 1.834,1243 1.824,1244 1.913,1245 1.936,1246 1.02,1247 1.926,1248 1.539,1249 1.49,1250 1.779,1251 1.741,1252 0.961,1253 1.751,1254 1.22,1255 1.219,1256 1.33,1257 1.44,1258 0.484,1259 1.392,1260 1.114,1261 1.121,1262 1.262,1263 1.435,1264 0.333,1265 1.358,1266 0.997,1267 0.967,1268 1.204,1269 1.25,1270 0.218,1271 1.238,1272 0.886,1273 0.856,1274 1.181,1275 1.192,1276 0.168,1277 1.149,1278 4.263,1280 5.587,1282 7.104,1284 8.716,1286 10.38,1293 49.075,1294 1.113,1297 5.125,1305 35.701,1306 78.573,1307 185.037,1308 233.931,1309 268.07,1310 276.825,1311 279.58,1312 131.423,1313 7.463,1314 161.59,1315 161.59,1316 18,1317 12.661,1318 4.459,1319 3.7,1320 64.648,1321 165,1322 188,1323 0.192,1324 219.644,1325 401.41,1326 527.691,1327 18839,1329 24.121,1330 0.731,1331 0.521,1332 24.121,1333 17.187,1334 15.684,1335 0.448,1336 0.28,1337 9.645,1338 15.006,1339 9.499,1340 7.829,1341 15.684,1342 9.797,1343 14.404,1344 0.294,1345 0.145,1346 14.404,1347 7.129,1348 11.544,1349 0.183,1350 0.077,1351 11.544,1352 4.839,1353 9.605,1354 0.12,1355 0.04,1356 9.605,1357 3.231,1358 7.256,1359 0.076,1360 0.022,1361 7.256,1362 2.06,1363 0.31,1364 99.634,1365 0.212,1366 31.208,1367 0.506,1368 168,1369 641.691,1370 188.814,1371 605.144,1372 782.61,1373 554,1374 196,1375 539.515,1376 214.604,1377 542.151,1378 790.72,1379 508,1380 6.081}
{0 CHEMBL151822,1 1.656,2 14.535,3 4.312,4 18.593,5 151.877,6 8.936,7 0.522,8 4.342,9 4.401,10 4.121,11 3.906,12 5.655,13 3.909,14 4.809,15 4.89,16 4.451,17 4.28,18 6.323,19 4.272,20 5.12,21 5.246,22 4.584,23 4.436,24 6.484,25 4.417,26 5.265,27 5.401,28 4.642,29 4.402,30 6.807,31 4.41,32 5.251,33 5.375,34 4.613,35 4.369,36 6.924,37 4.381,38 5.203,39 5.347,40 4.564,41 4.401,42 6.618,43 4.387,44 5.267,45 5.41,46 4.58,47 4.406,48 6.899,49 4.39,50 5.189,51 5.363,52 4.426,53 4.345,54 6.536,55 4.307,56 0.386,57 0.885,58 12.647,59 6.773,60 71.474,61 6.118,62 0.792,63 1.38,64 18.68,65 10.76,66 121.464,67 10.785,68 1.013,69 1.843,70 32.918,71 14.946,72 162.978,73 14.987,74 1.744,75 2.006,76 46.467,77 16.716,78 308.049,79 16.227,80 2.282,81 1.917,82 39.77,83 14.939,84 388.522,85 14.324,86 1.484,87 1.906,88 39.539,89 15.663,90 249.708,91 15.696,92 2.069,93 1.967,94 42.47,95 16.262,96 350.91,97 16.638,98 1.571,99 1.853,100 43.067,101 15.696,102 253.443,103 16.746,104 102,105 66,106 0.256,107 0.564,108 0.705,109 0.83,110 0.863,111 0.87,112 3.788,113 0.915,114 -2.86,115 -2.87,116 -2.78,119 44.1,121 1,125 1,127 1,142 14,143 5,144 5,157 1,158 2,167 1,170 1,172 15,173 1,174 2,175 5,178 3,180 10,183 18,184 2,188 12,191 1,193 11,196 10,197 1,200 12,201 1,203 3,204 1,205 12,206 1,208 4,209 2,212 3,213 13,216 7,217 1,218 9,221 7,225 9,229 2,230 8,231 2,233 12,234 2,237 4,238 14,241 2,242 3,243 5,246 15,247 1,250 12,253 1,254 2,255 4,258 19,263 6,264 2,266 4,268 2,271 17,275 3970,276 27.938,277 27.938,278 27.938,279 27.938,280 27.938,281 24.25,282 22.613,283 16.181,284 28.329,285 22.626,286 22.626,287 22.626,288 22.626,289 22.626,290 16.999,291 16.671,292 7.622,293 23.288,294 4.432,295 2.444,296 1.536,297 0.728,298 0.511,299 0.471,300 4.471,306 1318,307 5.196,311 705.803,318 2.169,319 100.49,322 0.25,323 0.33,324 0.33,325 0.1,327 0.17,329 0.17,330 97.5,331 625,332 4.85,333 4.685,334 7.308,335 4.309,336 3.39,337 4.697,338 1.674,339 12.507,340 3.278,341 4.632,342 3.752,343 6.99,344 4.281,345 3.281,346 4.32,347 1.437,348 11.775,349 3.088,350 4.357,351 3.662,352 6.503,353 3.962,354 2.977,355 4.03,357 10.016,358 2.925,359 4.029,360 3.515,361 6,362 3.673,363 2.691,364 3.619,366 8.445,367 2.64,368 3.958,369 2.933,370 5.604,371 3.607,372 2.613,373 3.334,375 7.706,376 2.587,377 3.63,378 2.894,379 5.525,380 3.302,381 2.338,382 3.061,384 6.688,385 2.243,386 3.591,387 2.633,388 5.215,389 3.238,390 2.257,391 2.926,393 6.469,394 2.195,395 3.487,396 2.587,397 4.894,398 3.021,399 2.032,400 2.752,402 5.568,403 2.008,404 3.262,405 2.245,406 4.879,407 2.873,408 1.901,409 2.481,411 5.225,412 1.836,413 3.232,414 2.232,415 4.841,416 2.816,417 1.879,418 2.462,420 5.091,421 1.771,422 3.126,423 1.99,424 4.697,425 2.79,426 1.793,427 2.214,429 4.886,430 1.749,431 2.816,432 1.848,433 4.234,434 2.338,435 1.358,436 1.903,438 3.642,439 1.321,440 2.752,441 1.796,442 3.876,443 2.272,444 1.293,445 1.78,447 2.968,448 1.246,449 2.687,450 1.503,451 3.711,452 2.173,453 1.18,454 1.73,456 2.745,457 1.168,458 2.5,459 1.336,460 3.628,461 2,462 1,463 1.5,465 2.381,466 1,467 19.9,468 0.463,469 1.39,470 0.032,471 59.75,472 1.39,473 33.5,474 0.779,475 26.25,476 0.61,477 36.251,478 0.843,479 46.7,480 0.687,481 62.252,482 1.448,483 12.193,484 0.284,485 8.175,486 0.19,487 0.168,488 0.042,489 0.352,493 0.814,494 1.007,495 0.796,496 1.026,497 0.829,498 0.805,499 0.601,500 1.107,501 0.809,502 1.061,503 0.55,504 0.992,505 0.92,506 1.189,507 1.043,508 1.189,509 0.868,510 1.071,511 1.141,512 1.159,513 1.177,514 1.19,515 1.093,516 1.004,517 1.134,518 0.949,519 1.039,520 0.893,521 1.236,522 0.976,523 1.081,524 1.066,525 1.038,526 1.058,527 1,528 1.011,529 0.998,530 0.971,531 1.035,532 0.973,533 0.884,534 1.019,535 1.043,536 0.866,537 1.007,538 0.9,539 1.065,540 0.92,541 10.5,542 0.4,543 5.778,544 4.25,545 3.209,546 2.028,547 1.243,548 0.993,549 0.682,550 0.552,551 30938,552 113307,553 1.974,554 36.8,556 17,559 6,561 2,564 1.819,565 1.798,566 3.778,567 2.917,574 112.591,575 1.656,576 3.643,577 4.552,578 5.359,579 5.576,580 5.617,581 3.169,582 4.961,583 5.401,584 4.045,585 3652.97,586 9.569,587 67956.1,592 413.947,593 1.669,594 5.322,595 0.228,596 0.007,597 0.088,598 0.059,599 0.044,600 0.029,601 0.018,602 0.015,603 0.011,604 0.009,605 0.508,606 0.17,607 0.5,608 0.742,609 248.637,610 -0.1,611 0.097,612 0.083,613 0.087,614 -0.171,615 0.107,616 0.132,617 -0.034,618 -0.005,619 -0.042,620 0.136,621 -0.073,622 -0.095,623 -0.144,624 -0.06,625 -0.14,626 -0.068,627 -0.095,628 -0.065,629 -0.15,630 -0.05,631 -0.133,632 -0.013,633 -0.028,634 0.064,635 0.044,636 -0.075,637 0.04,638 0.005,639 -0.062,640 -0.106,641 -0.068,642 -0.026,643 -0.051,644 -0.079,645 -0.028,646 0.074,647 0.004,648 -0.035,650 0.131,651 -0.046,652 -0.091,653 0.103,654 0.029,655 0.093,656 -0.126,657 0.111,658 4.956,659 6.034,660 0.558,661 53.28,662 1.035,663 1.113,664 1.634,665 2.671,666 0.688,667 3.85,668 4.205,669 4.443,670 4.682,671 4.86,672 4.868,673 4.949,674 4.949,675 5.081,676 5.165,677 9.059,678 0.682,679 607.63,680 3.85,681 5.416,682 6.263,683 7.154,684 8.019,685 8.911,686 9.783,687 10.677,688 11.554,689 12.448,690 1.5,692 1,706 14,711 10,713 24,718 1,722 1,723 1,729 4,732 68,734 29,735 4,736 46,738 71,739 30,740 24,741 10,742 14,743 3,745 4,746 4,757 2,759 27,760 3,763 5,766 1,768 5,772 3,778 25,779 12,780 6,781 13,782 1,787 1,792 1,793 11,809 4,833 1,835 4,837 1,843 43,847 1,850 5,851 2,853 1,854 1,856 1,867 16.2,869 5,870 5,872 1,874 23.917,875 11.667,876 9.347,877 3.569,878 3.238,879 1.405,880 0.91,881 9.732,882 11.235,883 4.159,884 4.787,885 5.308,886 5.833,887 6.309,888 6.41,889 6.701,890 6.769,891 7.141,892 7.419,893 1,894 72,895 16.557,897 7.907,898 8.428,899 28.611,901 23.536,903 2.928,904 125.917,908 223.651,909 176.315,910 16.405,912 344.164,914 5.807,915 170.508,916 567.815,917 16.405,919 7.127,920 154.88,921 346.399,922 28.478,924 223.651,926 223.651,927 186.913,928 344.164,929 5.807,931 200.109,932 367.707,935 23.532,936 163.381,937 5.807,939 223.651,940 360.569,941 176.315,943 5.807,944 223.651,945 37.84,946 132.667,947 16.405,948 344.164,949 223.651,950 360.569,951 176.315,953 0.593,954 0.345,955 0.183,956 0.098,957 29,958 16,959 0.169,960 12,962 1,963 4.938,964 435.594,966 24,967 217.329,972 1,973 31.531,974 13.272,975 7.52,977 360.569,978 18.351,983 -4.351,985 229.822,986 760.535,987 63,990 -4.039,992 63.366,996 -3.842,998 70.382,999 75.704,1000 0.272,1001 0.599,1002 0.748,1003 0.88,1004 0.916,1005 0.923,1006 5.412,1007 2.032,1008 6.293,1009 6.469,1010 4.89,1011 5.476,1012 2.374,1013 7.151,1014 4.834,1015 6.661,1016 1.901,1017 7.895,1018 5.568,1019 4.691,1020 5.521,1022 8.305,1023 4.576,1024 8.006,1025 1.879,1026 9.605,1027 5.225,1028 6.564,1029 7.751,1030 3.228,1031 11.374,1032 6.444,1033 9.39,1034 1.793,1035 11.382,1036 5.091,1037 7.148,1038 8.589,1040 13.357,1041 6.961,1042 10.808,1043 1.358,1044 13.203,1045 4.886,1046 8.562,1047 10.365,1048 4.138,1049 16.02,1050 8.364,1051 12.252,1052 1.293,1053 15.056,1054 3.642,1055 9.487,1056 11.558,1058 18.321,1059 9.226,1060 13.716,1061 1.18,1062 16.932,1063 2.968,1064 10.743,1065 13.169,1066 5.081,1067 20.864,1068 10.46,1069 3.39,1070 1,1071 18.827,1072 2.745,1073 11.819,1074 14.53,1076 23.287,1077 11.479,1078 3.281,1079 12.507,1080 20.735,1081 2.381,1082 13.024,1083 16.077,1084 6.046,1085 25.796,1086 12.652,1087 2.977,1088 11.775,1089 22.656,1090 4.697,1091 14.166,1092 17.518,1094 28.266,1095 13.742,1096 2.691,1097 10.016,1098 24.586,1099 4.32,1100 15.358,1101 19.044,1102 7.027,1103 30.769,1104 14.897,1105 2.613,1106 8.445,1107 26.523,1108 4.03,1109 16.529,1110 20.525,1112 33.259,1113 16.022,1114 2.338,1115 7.706,1116 28.466,1117 3.619,1118 17.721,1119 22.045,1120 8.021,1121 35.761,1122 17.174,1123 2.257,1124 6.688,1125 30.415,1126 3.334,1127 18.907,1128 23.548,1130 38.261,1131 18.316,1132 29926,1133 57513,1134 29.244,1135 46.79,1136 69.868,1137 73.233,1138 72.528,1139 69.175,1140 69.01,1141 92.652,1142 6.222,1143 203.751,1144 67.063,1145 5.787,1146 6.685,1147 7.11,1148 5.386,1149 5.39,1150 7.697,1151 3.349,1152 20.052,1153 5.278,1154 28.684,1155 1.519,1156 1.592,1157 1.577,1158 1.504,1159 1.5,1160 2.014,1161 0.135,1162 4.429,1163 1.458,1164 4.092,1165 4.081,1166 4.736,1167 4.068,1168 7.717,1169 3.993,1170 4.012,1171 4.008,1172 4,1173 3.944,1174 7.475,1175 3.94,1176 3.914,1177 3.934,1178 3.857,1179 3.852,1180 7.433,1181 3.845,1182 3.865,1183 3.873,1184 3.827,1185 3.786,1186 7.426,1187 3.793,1188 3.673,1189 3.699,1190 3.677,1191 3.57,1192 6.999,1193 3.527,1194 3.486,1195 3.468,1196 3.468,1197 3.332,1198 6.491,1199 3.309,1200 3.31,1201 3.307,1202 3.271,1203 3.148,1204 6.471,1205 3.169,1206 3.29,1207 3.272,1208 3.24,1209 3.02,1210 6.466,1211 3.071,1212 0.105,1213 0.102,1214 0.159,1215 0.094,1216 0.074,1217 4.85,1218 0.102,1219 4.685,1220 0.036,1221 7.308,1222 0.272,1223 4.309,1224 0.071,1225 3.39,1226 4.697,1227 1.674,1228 12.507,1229 3.278,1230 1.968,1231 1.971,1232 2.043,1233 2.059,1234 1.295,1235 2.084,1236 1.958,1237 1.955,1238 2.015,1239 2.043,1240 1.143,1241 2.036,1242 1.906,1243 1.884,1244 1.994,1245 1.986,1246 1.139,1247 2.004,1248 1.834,1249 1.824,1250 1.912,1251 1.936,1252 1.02,1253 1.926,1254 1.599,1255 1.573,1256 1.754,1257 1.782,1258 0.955,1259 1.791,1260 1.333,1261 1.356,1262 1.33,1263 1.526,1264 0.544,1265 1.543,1266 1.213,1267 1.211,1268 1.262,1269 1.437,1270 0.483,1271 1.384,1272 1.113,1273 1.121,1274 1.206,1275 1.406,1276 0.333,1277 1.358,1278 4.533,1280 5.878,1282 7.41,1284 9.03,1286 10.696,1293 50.086,1294 -0.441,1296 2.482,1297 5.292,1299 -0.989,1305 46.393,1306 112.591,1307 247.758,1308 309.525,1309 364.438,1310 379.193,1311 381.947,1312 189.603,1313 7.997,1314 207.76,1315 216.14,1316 24,1317 12.978,1318 4.907,1319 4.17,1320 82.003,1321 238,1322 211,1323 0.165,1324 286.94,1325 521.12,1326 691.894,1327 34942,1329 31.311,1330 0.728,1331 0.535,1332 31.561,1333 22.985,1334 20.368,1335 0.443,1336 0.305,1337 12.489,1338 18.761,1339 12.164,1340 10.028,1341 21.189,1342 14.037,1343 19.326,1344 0.293,1345 0.167,1346 20.626,1347 11.038,1348 15.244,1349 0.181,1350 0.093,1351 16.349,1352 7.805,1353 12.721,1354 0.119,1355 0.051,1356 13.762,1357 5.484,1358 9.733,1359 0.076,1360 0.028,1361 10.585,1362 3.624,1363 0.263,1364 137.327,1365 0.185,1366 38.1,1367 0.442,1368 224,1369 840.355,1370 287.722,1371 816.339,1372 1060.82,1373 744,1374 262,1375 712.337,1376 332.054,1377 753.197,1378 1096.24,1379 704,1380 5.585}
{0 CHEMBL151823,1 1.623,2 15.851,3 5.22,4 27.253,5 168.327,6 8.888,7 0.569,8 4.428,9 4.488,10 4.202,11 4.015,12 5.723,13 4.014,14 4.9,15 4.982,16 4.544,17 4.404,18 6.381,19 4.391,20 5.215,21 5.34,22 4.678,23 4.569,24 6.553,25 4.542,26 5.359,27 5.5,28 4.73,29 4.541,30 6.854,31 4.529,32 5.342,33 5.474,34 4.723,35 4.497,36 6.968,37 4.488,38 5.294,39 5.436,40 4.683,41 4.501,42 6.719,43 4.484,44 5.351,45 5.491,46 4.666,47 4.496,48 6.974,49 4.483,50 5.272,51 5.44,52 4.52,53 4.463,54 6.601,55 4.423,56 0.363,57 0.948,58 13.498,59 7.304,60 66.863,61 6.692,62 0.764,63 1.497,64 20.149,65 11.708,66 117.394,67 11.873,68 0.949,69 2.032,70 35.123,71 16.491,72 152.025,73 16.713,74 1.687,75 2.248,76 48.915,77 18.762,78 298.049,79 18.51,80 2.236,81 2.161,82 44.361,83 17.259,84 379.328,85 16.837,86 1.469,87 2.131,88 45.47,89 17.642,90 245.232,91 17.212,92 2.144,93 2.179,94 46.899,95 17.656,96 366.495,97 17.353,98 1.528,99 2.05,100 44.886,101 17.128,102 249.519,103 17.97,104 102,105 74,106 0.246,107 0.552,108 0.701,109 0.84,110 0.873,111 0.887,112 3.874,113 0.908,114 -3.48,115 -3.46,116 -3.3,119 45.9,121 1,125 1,127 1,142 16,143 7,144 5,157 1,158 2,167 1,170 1,172 20,173 1,174 2,175 5,178 3,180 10,183 26,184 2,188 12,191 1,193 11,196 18,197 1,200 12,201 1,203 3,204 1,205 12,206 1,208 8,209 2,212 3,213 15,216 7,217 1,218 10,221 8,225 13,229 2,230 10,231 2,233 12,234 2,237 4,238 16,241 2,242 3,243 6,246 16,247 1,250 13,253 1,254 2,255 4,258 22,263 8,264 2,266 4,268 2,271 22,275 5210,276 30.747,277 30.747,278 30.747,279 30.747,280 30.747,281 26.544,282 22.613,283 17.679,284 31.138,285 25.097,286 25.097,287 25.097,288 25.097,289 25.097,290 18.644,291 16.671,292 8.336,293 25.755,294 4.587,295 2.562,296 1.576,297 0.662,298 0.443,299 0.351,300 4.567,306 1599,307 5.292,311 886.713,315 272.837,318 2.244,319 103.692,322 0.25,323 0.33,324 0.33,325 0.1,327 0.17,329 0.17,330 105.5,331 745,332 4.863,333 4.687,334 7.313,335 4.325,336 3.403,337 4.733,338 1.674,339 12.537,340 3.278,341 4.632,342 3.752,343 6.99,344 4.281,345 3.281,346 4.32,347 1.437,348 11.775,349 3.117,350 4.357,351 3.662,352 6.503,353 3.962,354 2.977,355 4.235,357 10.016,358 2.925,359 4.337,360 3.515,361 6.151,362 3.836,363 2.839,364 4.03,366 9.095,367 2.823,368 4.028,369 2.934,370 6,371 3.666,372 2.683,373 3.619,375 8.445,376 2.632,377 3.958,378 2.9,379 5.6,380 3.607,381 2.613,382 3.334,384 7.695,385 2.587,386 3.63,387 2.84,388 5.525,389 3.285,390 2.323,391 2.926,393 6.687,394 2.224,395 3.526,396 2.632,397 5.205,398 3.236,399 2.256,400 2.763,402 6.445,403 2.19,404 3.279,405 2.582,406 4.879,407 2.911,408 1.947,409 2.586,411 5.52,412 1.868,413 3.247,414 2.233,415 4.877,416 2.816,417 1.879,418 2.481,420 5.225,421 1.791,422 3.232,423 2.232,424 4.84,425 2.809,426 1.81,427 2.461,429 4.977,430 1.749,431 3.118,432 1.848,433 4.675,434 2.67,435 1.675,436 2.427,438 4.822,439 1.663,440 3.101,441 1.807,442 4.402,443 2.618,444 1.618,445 2.2,447 4.282,448 1.618,449 2.84,450 1.738,451 4.232,452 2.347,453 1.364,454 1.992,456 3.634,457 1.337,458 2.813,459 1.618,460 3.876,461 2.322,462 1.326,463 1.897,465 2.968,466 1.312,467 21.9,468 0.466,469 1.51,470 0.032,471 66.25,472 1.41,473 37.5,474 0.798,475 28.75,476 0.612,477 40.751,478 0.867,479 50.1,480 0.677,481 69.818,482 1.485,483 13.399,484 0.285,485 8.935,486 0.19,487 0.152,488 0.038,489 0.365,493 0.797,494 0.966,495 0.784,496 0.987,497 0.815,498 0.787,499 0.586,500 1.063,501 0.801,502 1.025,503 0.537,504 0.966,505 0.894,506 1.16,507 1.037,508 1.166,509 0.845,510 1.067,511 1.103,512 1.149,513 1.152,514 1.17,515 1.07,516 1.032,517 1.084,518 0.994,519 1.053,520 0.946,521 1.189,522 0.987,523 1.142,524 1.126,525 1.154,526 1.139,527 1.068,528 1.006,529 1.132,530 0.967,531 1.128,532 0.975,533 1.036,534 0.998,535 1.079,536 0.89,537 1.042,538 0.923,539 1.115,540 0.954,541 11.5,542 0.474,543 6.444,544 4.375,545 3.796,546 2.278,547 1.426,548 1.123,549 0.727,550 0.635,551 40895,552 140650,553 2.011,554 36.5,556 19,559 6,561 2,564 1.84,565 1.837,566 3.894,567 2.809,574 120.09,575 1.623,576 3.648,577 4.633,578 5.547,579 5.767,580 5.858,581 3.319,582 5.054,583 5.529,584 4.149,585 4485.5,586 9.827,587 88877.4,592 459.5,593 1.647,594 5.456,595 0.225,596 0.007,597 0.087,598 0.054,599 0.047,600 0.03,601 0.019,602 0.015,603 0.011,604 0.009,605 0.504,606 0.17,607 0.38,608 0.711,609 278.934,610 -0.089,611 0.105,612 0.083,613 0.091,614 -0.164,615 0.107,616 0.136,617 -0.014,618 -0.005,619 -0.027,620 0.137,621 -0.059,622 -0.083,623 -0.126,624 -0.069,625 -0.131,626 -0.06,627 -0.099,628 -0.042,629 -0.139,630 -0.039,631 -0.119,632 -0.009,633 -0.051,634 0.105,635 0.012,636 -0.014,637 0.037,638 0.041,639 -0.047,640 -0.109,641 -0.105,642 -0.031,643 -0.076,644 -0.068,645 -0.023,646 0.031,647 0.031,648 -0.083,649 0.011,650 0.096,651 -0.042,652 -0.104,653 0.092,654 -0.017,655 0.069,656 -0.14,657 0.063,658 5.047,659 6.399,660 0.596,661 62.601,662 1.031,663 1.11,664 2.251,665 5.067,666 0.697,667 3.951,668 4.317,669 4.575,670 4.828,671 5.043,672 5.088,673 5.182,674 5.209,675 5.342,676 5.389,677 9.635,678 0.688,679 657.69,680 3.951,681 5.525,682 6.382,683 7.277,684 8.15,685 9.047,686 9.926,687 10.823,688 11.707,689 12.605,690 1.4,692 1,705 2,706 16,711 10,713 29,718 1,722 1,723 1,729 4,732 74,734 34,735 5,736 51,738 78,739 34,740 28,741 12,742 16,743 3,745 5,746 6,757 2,759 31,760 3,763 5,766 1,768 5,772 3,778 27,779 12,780 6,781 13,782 1,787 1,792 0.8,793 11,809 5,813 1,833 1,835 4,837 1,843 47,847 1,850 5,851 2,853 1,854 1,856 1,867 14.9,869 5,870 5,872 1,874 25.583,875 12.833,876 10.125,877 3.965,878 4.154,879 1.49,880 0.932,881 9.838,882 12.625,883 4.27,884 4.927,885 5.491,886 6.054,887 6.597,888 6.827,889 7.175,890 7.373,891 7.737,892 7.797,893 1,894 81,895 18.095,897 8.672,898 8.335,899 31.574,901 26.327,903 2.835,904 133.25,908 247.193,909 200.414,910 16.405,912 344.164,914 5.807,915 194.606,916 591.357,917 16.405,919 7.127,920 173.832,921 346.399,922 33.624,924 247.193,926 247.193,927 211.011,928 344.164,929 5.807,931 223.651,932 367.707,935 23.532,936 187.479,937 5.807,939 247.193,940 360.569,941 200.414,943 5.807,944 247.193,945 42.986,946 151.62,947 16.405,948 344.164,949 247.193,950 360.569,951 200.414,953 0.596,954 0.349,955 0.185,956 0.102,957 34,958 18,959 0.154,960 12,961 1,962 1.071,963 5.263,964 501.877,965 0.071,966 28,967 249.066,972 1,973 33.441,974 13.827,975 7.562,976 1.531,977 360.569,978 22.708,983 -4.373,985 229.822,986 808.176,987 70.5,990 -4.13,992 64.524,996 -3.849,998 76.265,999 82.119,1000 0.261,1001 0.587,1002 0.746,1003 0.893,1004 0.929,1005 0.943,1006 5.526,1007 2.256,1008 6.412,1009 6.687,1010 5.004,1011 5.617,1012 2.374,1013 7.273,1014 4.954,1015 6.782,1016 1.947,1017 8.014,1018 6.445,1019 4.796,1020 5.672,1022 8.407,1023 4.692,1024 8.132,1025 1.879,1026 9.723,1027 5.52,1028 6.681,1029 7.926,1030 3.228,1031 11.478,1032 6.575,1033 9.519,1034 1.81,1035 11.495,1036 5.225,1037 7.252,1038 8.769,1040 13.437,1041 7.085,1042 10.939,1043 1.675,1044 13.311,1045 4.977,1046 8.672,1047 10.562,1048 4.138,1049 16.095,1050 8.497,1051 12.384,1052 1.618,1053 15.156,1054 4.822,1055 9.586,1056 11.759,1058 18.379,1059 9.352,1060 13.848,1061 1.364,1062 17.025,1063 4.282,1064 10.843,1065 13.378,1066 5.081,1067 20.917,1068 10.588,1069 3.403,1070 1.326,1071 18.912,1072 3.634,1073 11.909,1074 14.74,1076 23.33,1077 11.6,1078 3.281,1079 12.537,1080 20.814,1081 2.968,1082 13.112,1083 16.291,1084 6.046,1085 25.835,1086 12.772,1087 2.977,1088 11.775,1089 22.727,1090 4.733,1091 14.247,1092 17.732,1094 28.301,1095 13.856,1096 2.839,1097 10.016,1098 24.65,1099 4.32,1100 15.436,1101 19.258,1102 7.027,1103 30.801,1104 15.007,1105 2.683,1106 9.095,1107 26.581,1108 4.235,1109 16.602,1110 20.737,1112 33.289,1113 16.126,1114 2.613,1115 8.445,1116 28.519,1117 4.03,1118 17.791,1119 22.257,1120 8.021,1121 35.792,1122 17.274,1123 2.323,1124 7.695,1125 30.462,1126 3.619,1127 18.975,1128 23.758,1130 38.292,1131 18.411,1132 38780,1133 72206,1134 32.827,1135 51.551,1136 77.792,1137 81.354,1138 80.756,1139 77.089,1140 76.926,1141 104.528,1142 6.222,1143 229.29,1144 74.98,1145 5.801,1146 6.687,1147 7,1148 5.409,1149 5.403,1150 7.733,1151 3.349,1152 20.083,1153 5.278,1154 30.4,1155 1.525,1156 1.595,1157 1.583,1158 1.512,1159 1.508,1160 2.05,1161 0.122,1162 4.496,1163 1.47,1164 4.156,1165 4.153,1166 4.738,1167 4.138,1168 7.717,1169 4.091,1170 4.02,1171 4.023,1172 4.004,1173 3.946,1174 7.475,1175 3.955,1176 3.935,1177 3.958,1178 3.961,1179 3.868,1180 7.433,1181 3.859,1182 3.866,1183 3.873,1184 3.857,1185 3.797,1186 7.426,1187 3.793,1188 3.837,1189 3.819,1190 3.827,1191 3.786,1192 6.999,1193 3.712,1194 3.541,1195 3.562,1196 3.474,1197 3.384,1198 6.491,1199 3.386,1200 3.341,1201 3.345,1202 3.285,1203 3.199,1204 6.471,1205 3.198,1206 3.291,1207 3.28,1208 3.247,1209 3.143,1210 6.466,1211 3.135,1212 0.095,1213 0.092,1214 0.143,1215 0.085,1216 0.067,1217 4.863,1218 0.093,1219 4.687,1220 0.033,1221 7.313,1222 0.246,1223 4.325,1224 0.064,1225 3.403,1226 4.733,1227 1.674,1228 12.537,1229 3.278,1230 2.092,1231 2.086,1232 2.148,1233 2.14,1234 1.33,1235 2.164,1236 1.96,1237 1.955,1238 2.041,1239 2.053,1240 1.265,1241 2.041,1242 1.92,1243 1.896,1244 2.015,1245 2.017,1246 1.142,1247 2.026,1248 1.834,1249 1.824,1250 1.912,1251 1.937,1252 1.02,1253 1.927,1254 1.704,1255 1.722,1256 1.761,1257 1.837,1258 0.978,1259 1.866,1260 1.493,1261 1.458,1262 1.632,1263 1.648,1264 0.82,1265 1.667,1266 1.237,1267 1.238,1268 1.33,1269 1.453,1270 0.484,1271 1.427,1272 1.193,1273 1.187,1274 1.289,1275 1.437,1276 0.436,1277 1.373,1278 4.635,1280 5.989,1282 7.532,1284 9.163,1286 10.839,1293 50.412,1294 -0.467,1296 2.546,1297 5.363,1299 -1.015,1305 50.92,1306 120.09,1307 269.916,1308 342.87,1309 410.48,1310 426.745,1311 433.5,1312 186.678,1313 8.472,1314 207.76,1315 216.14,1316 30,1317 13.131,1318 5.129,1319 4.358,1320 81.908,1321 274,1322 253,1323 0.141,1324 312.061,1325 561.78,1326 753.189,1327 65327,1329 33.88,1330 0.721,1331 0.535,1332 34.13,1333 25.139,1334 22.334,1335 0.438,1336 0.303,1337 13.893,1338 20.727,1339 13.532,1340 11.145,1341 23.155,1342 15.442,1343 21.305,1344 0.288,1345 0.165,1346 22.606,1347 12.234,1348 17.179,1349 0.179,1350 0.091,1351 18.27,1352 8.765,1353 14.42,1354 0.116,1355 0.05,1356 15.44,1357 6.233,1358 11.395,1359 0.074,1360 0.028,1361 12.343,1362 4.335,1363 0.225,1364 149.125,1365 0.175,1366 40.915,1367 0.376,1368 250,1369 890.355,1370 313.722,1371 868.824,1372 1139.68,1373 794,1374 295,1375 776.337,1376 365.054,1377 820.366,1378 1196.99,1379 768,1380 5.569}
{0 CHEMBL1614705,1 1.819,2 10.621,3 2.832,4 8.02,5 107.681,6 8.664,7 0.531,8 3.998,9 4.11,10 3.681,11 3.537,12 5.19,13 3.539,14 4.532,15 4.692,16 4.061,17 3.948,18 5.693,19 3.928,20 4.804,21 4.999,22 4.158,23 4.106,24 5.984,25 4.056,26 4.877,27 5.077,28 4.202,29 4.113,30 6.088,31 4.07,32 4.932,33 5.156,34 4.127,35 4.116,36 6.044,37 4.068,38 4.891,39 5.117,40 4.108,41 4.096,42 6.01,43 4.032,44 4.824,45 5.042,46 4.083,47 4.062,48 5.959,49 3.985,50 4.83,51 5.073,52 3.956,53 3.915,54 6.032,55 3.827,56 0.15,57 0.805,58 7.603,59 4.123,60 17.18,61 4.819,62 0.374,63 1.283,64 16.01,65 6.891,66 35.541,67 8.414,68 0.637,69 1.567,70 26.722,71 9.704,72 80.935,73 12.205,74 0.765,75 1.674,76 28.729,77 10.062,78 97.697,79 12.472,80 0.796,81 1.735,82 29.916,83 10.036,84 98.463,85 12.939,86 0.766,87 1.676,88 28.898,89 9.812,90 86.703,91 12.801,92 0.586,93 1.606,94 26.871,95 10.25,96 64.396,97 13.122,98 0.841,99 1.526,100 31.558,101 10.025,102 103.06,103 12.758,104 19,105 45,106 0.307,107 0.692,108 0.838,109 0.866,110 0.866,111 0.866,112 3.409,113 0.904,114 -4.04,115 -3.99,116 -3.78,119 41.7,121 2,122 1,125 3,142 4,143 2,144 2,145 1,146 2,148 1,152 1,158 1,168 1,172 4,174 2,175 7,180 2,183 9,188 3,191 2,193 3,196 5,199 1,200 10,203 1,205 2,208 6,213 5,216 1,218 4,221 6,224 2,225 5,228 1,230 1,233 7,237 1,238 6,241 1,243 1,246 4,249 1,250 4,254 1,255 1,258 2,262 2,263 4,266 1,271 2,275 1481,276 19.784,277 19.784,278 19.784,279 19.784,280 19.784,281 17.602,282 16.683,283 11.579,284 20.28,285 15.708,286 15.708,287 15.708,288 15.708,289 15.708,290 12.397,291 16.542,292 5.383,293 16.542,294 3.766,295 1.491,296 0.625,297 0.458,298 0.458,299 0.458,300 4.103,301 1,304 1,305 1,306 661,307 2.915,310 81.259,311 276.74,318 1.565,319 41.054,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.333,331 308,332 4.642,333 3.728,334 7.017,335 4.284,336 3.304,337 4.366,338 2.035,339 12.022,340 3.236,341 4.194,342 3.41,343 6.316,344 3.838,345 2.873,346 3.814,347 0.642,348 9.467,349 2.767,350 3.952,351 3.155,352 6.022,353 3.714,354 2.757,355 3.268,356 0.129,357 8.534,358 2.63,359 3.757,360 2.764,361 5.773,362 3.427,363 2.452,364 3.099,366 7.757,367 2.385,368 3.592,369 2.613,370 5.23,371 3.162,372 2.248,373 2.888,375 6.381,376 2.03,377 3.238,378 2.287,379 4.846,380 2.833,381 1.91,382 2.419,384 5.243,385 1.708,386 2.924,387 2.174,388 4.508,389 2.525,390 1.577,391 2.095,393 4.209,394 1.463,395 2.853,396 1.641,397 4.131,398 2.414,399 1.478,400 1.944,402 3.484,403 1.376,404 2.653,405 1.425,406 3.923,407 2.263,408 1.302,409 1.671,411 3.125,412 1.241,413 2.5,414 1.403,415 3.83,416 1.984,417 1,418 1.5,420 2.766,421 0.983,422 2.322,423 1.096,424 3.436,425 1.949,426 1,427 1.257,429 2.275,430 0.939,431 2.252,432 1.077,433 3.414,434 1.942,435 0.996,436 1.16,438 2.136,439 0.936,440 2,441 1,442 3.247,443 1.762,444 0.797,445 1,447 2.041,448 0.767,449 1.469,450 0.803,451 2.846,452 1.143,453 0.221,454 0.249,456 0.309,457 0.197,458 1.299,459 0.41,460 2.542,461 0.908,467 13.667,468 0.471,469 0.678,470 0.023,471 36.75,472 1.267,473 17.5,474 0.603,475 19.25,476 0.664,477 25.676,478 0.885,479 31.333,480 0.653,481 28.563,482 0.985,483 7.265,484 0.251,485 6.814,486 0.235,487 0.122,489 0.359,491 1,493 0.681,494 1.147,495 0.595,496 0.959,497 0.607,498 0.873,499 0.759,500 1.05,501 0.716,502 0.904,503 0.64,504 0.901,505 0.811,506 1.048,507 0.893,508 0.976,509 0.75,510 0.965,511 0.88,512 1.07,513 0.84,514 1.049,515 0.929,516 1.039,517 0.965,518 0.948,519 0.753,520 0.841,521 0.954,522 0.912,523 0.825,524 0.89,525 0.804,526 0.892,527 0.767,528 0.979,529 0.788,530 1.165,531 0.823,532 1.095,533 0.814,534 1.103,535 1.086,536 1.159,537 0.998,538 1.069,539 1.181,540 1.096,541 5,542 0.149,543 3.778,544 2.028,545 1.772,546 1.254,547 0.603,548 0.466,549 0.439,550 0.283,551 9839,552 34431,553 2.09,554 39.6,556 10,558 2,559 2,560 1,561 4,564 1.726,565 1.955,566 3.328,567 0.296,568 1,569 1,574 87.319,575 1.819,576 4.094,577 4.96,578 5.127,579 5.127,580 5.127,581 2.86,582 4.392,583 4.823,584 3.495,585 1418.97,586 8.442,587 18614.6,589 1,591 1,592 268.078,593 1.416,594 4.788,595 0.156,596 0.008,597 0.084,598 0.042,599 0.037,600 0.027,601 0.014,602 0.011,603 0.013,604 0.012,605 0.404,606 0.33,607 1,608 0.897,609 145.011,610 -0.048,611 -0.075,612 0.012,613 0.002,614 -0.036,615 0.02,616 -0.051,617 -0.028,618 -0.001,619 0.041,620 -0.009,621 0.018,622 0.003,623 -0.067,624 -0.014,625 0.008,626 0.059,627 0.018,628 0.013,629 -0.06,630 -0.012,631 -0.095,633 -0.08,634 -0.103,635 -0.003,636 -0.003,637 0.073,638 -0.104,639 0.047,640 -0.024,641 0.073,642 -0.01,643 0.033,644 -0.044,645 -0.012,646 0.024,647 -0.136,648 0.03,649 -0.105,650 -0.025,651 -0.092,652 -0.003,653 -0.064,654 -0.005,655 -0.079,656 -0.064,657 -0.083,658 2.13,659 6.624,660 0.793,661 28.145,662 1.022,663 1.136,664 2.807,665 7.881,666 0.684,667 3.497,668 3.829,669 4.143,670 4.431,671 4.673,672 4.812,673 4.977,674 5.124,675 5.247,676 5.288,677 6.187,678 0.666,679 415.89,680 3.497,681 5.043,682 5.911,683 6.801,684 7.69,685 8.592,686 9.491,687 10.399,688 11.304,689 12.216,690 10.4,697 1,698 1,700 3,706 6,707 3,708 1,711 7,713 17,731 2,732 48,734 18,735 1,736 32,738 51,739 20,740 13,741 3,742 3,745 4,746 4,747 1,751 1,754 2,755 1,757 2,759 14,760 6,761 1,763 1,768 1,772 1,775 1,776 1,778 19,779 7,780 2,781 9,782 1,787 5,792 1,793 2,794 1,800 1,803 1,808 1,809 3,823 1,833 1,835 4,840 1,841 1,843 29,850 1,851 5,856 1,857 1,866 2,867 4.2,868 1,870 1,874 14.833,875 8.536,876 6.444,877 2.869,878 2.765,879 1.365,880 0.972,881 5.791,882 10.334,883 3.75,884 4.334,885 4.923,886 5.509,887 6.014,888 6.354,889 6.772,890 7.194,891 7.569,892 7.823,893 1,894 48,895 10.767,897 4.721,898 8.01,899 20.092,901 16.748,903 2.51,904 72.778,907 1,908 200.109,909 96.819,910 70.021,911 39.149,912 67.828,913 14.96,915 96.819,916 307.086,917 84.982,919 12.405,920 80.588,921 103.626,922 58.835,923 17.717,924 176.567,925 39.149,926 200.109,927 166.841,928 82.788,929 39.149,931 167.984,932 72.229,933 42.683,935 52.247,936 64.359,937 89.383,939 215.069,940 137.85,941 135.968,944 200.109,945 41.248,946 58.695,947 16.663,948 172.171,949 200.109,950 152.81,951 135.968,953 0.58,954 0.35,955 0.191,956 0.104,957 22,958 10,959 0.078,960 4,962 1,963 3.931,964 265.982,966 23,967 136.881,973 19.807,974 8.478,975 3.98,977 136.147,978 9.312,979 12.726,980 3.078,983 2.854,985 59.346,986 488.886,987 41.5,992 11.739,996 -0.27,998 49.069,999 54.516,1000 0.326,1001 0.733,1002 0.888,1003 0.918,1004 0.918,1005 0.918,1006 4.992,1007 1.478,1008 5.9,1009 4.209,1010 4.511,1011 5.021,1012 2.181,1013 6.744,1014 4.417,1015 6.191,1016 1.302,1017 7.479,1018 3.484,1019 4.111,1020 4.783,1021 1.668,1022 7.738,1023 3.964,1024 7.498,1025 1,1026 9.163,1027 3.125,1028 6.129,1029 7.183,1030 3.202,1031 10.877,1032 5.973,1033 8.842,1034 1,1035 10.91,1036 2.766,1037 6.581,1038 7.804,1039 3.285,1040 12.741,1041 6.393,1042 10.222,1043 0.996,1044 12.698,1045 2.275,1046 8.057,1047 9.662,1048 4.455,1049 15.413,1050 7.856,1051 11.627,1052 0.797,1053 14.515,1054 2.136,1055 8.893,1056 10.692,1057 4.821,1058 17.63,1059 8.671,1060 13.052,1061 0.221,1062 16.354,1063 2.041,1064 10.164,1065 12.325,1066 5.791,1067 20.158,1068 9.925,1069 3.304,1071 18.209,1072 0.309,1073 11.178,1074 13.564,1075 6.307,1076 22.526,1077 10.922,1078 2.873,1079 12.022,1080 20.077,1082 12.374,1083 15.098,1084 7.166,1085 25.013,1086 12.101,1087 2.757,1088 9.467,1089 21.956,1090 4.366,1091 13.472,1092 16.444,1093 7.764,1094 27.444,1095 13.182,1096 2.452,1097 8.534,1098 23.843,1099 3.814,1100 14.645,1101 17.935,1102 8.56,1103 29.923,1104 14.338,1105 2.248,1106 7.757,1107 25.738,1108 3.268,1109 15.782,1110 19.338,1111 9.206,1112 32.383,1113 15.459,1114 1.91,1115 6.381,1116 27.64,1117 3.099,1118 16.952,1119 20.811,1120 9.966,1121 34.862,1122 16.612,1123 1.577,1124 5.243,1125 29.547,1126 2.888,1127 18.11,1128 22.244,1129 10.639,1130 37.335,1131 17.754,1132 9519,1133 17925,1134 21.383,1135 32.824,1136 48.388,1137 49.634,1138 50.33,1139 48.056,1140 47.829,1141 61.46,1142 5.612,1143 139.499,1144 45.316,1145 5.642,1146 5.728,1147 6.819,1148 5.355,1149 5.304,1150 7.366,1151 3.579,1152 19.548,1153 5.236,1154 14.306,1155 1.512,1156 1.551,1157 1.573,1158 1.502,1159 1.495,1160 1.921,1161 0.175,1162 4.359,1163 1.416,1164 4.083,1165 4.124,1166 4.084,1167 3.976,1168 8.201,1169 3.987,1170 3.863,1171 3.901,1172 3.915,1173 3.769,1174 7.429,1175 3.769,1176 3.796,1177 3.845,1178 3.73,1179 3.637,1180 6.45,1181 3.65,1182 3.632,1183 3.693,1184 3.611,1185 3.413,1186 5.075,1187 3.445,1188 3.423,1189 3.464,1190 3.371,1191 3.2,1192 4.92,1193 3.222,1194 3.111,1195 3.206,1196 3.236,1197 2.941,1198 4.84,1199 2.91,1200 2.953,1201 3.012,1202 2.866,1203 2.808,1204 4.245,1205 2.803,1206 2.898,1207 2.957,1208 2.8,1209 2.733,1210 4.157,1211 2.733,1212 0.145,1213 0.116,1214 0.219,1215 0.134,1216 0.103,1217 4.642,1218 0.136,1219 3.728,1220 0.064,1221 7.017,1222 0.376,1223 4.284,1224 0.101,1225 3.304,1226 4.366,1227 2.035,1228 12.022,1229 3.236,1230 1.926,1231 1.904,1232 2.055,1233 2.049,1234 1.43,1235 2.053,1236 1.855,1237 1.814,1238 1.956,1239 1.982,1240 1.099,1241 1.978,1242 1.737,1243 1.69,1244 1.841,1245 1.906,1246 0.895,1247 1.892,1248 1.438,1249 1.4,1250 1.617,1251 1.711,1252 0.825,1253 1.678,1254 1.235,1255 1.202,1256 1.513,1257 1.547,1258 0.744,1259 1.51,1260 1.192,1261 1.109,1262 1.422,1263 1.376,1264 0.576,1265 1.429,1266 1.153,1267 1.064,1268 1.278,1269 1.372,1270 0.374,1271 1.364,1272 0.86,1273 0.804,1274 1.113,1275 1.097,1276 0.18,1277 1.101,1278 4.174,1280 5.501,1281 2.398,1282 7.033,1283 4.727,1284 8.654,1285 6.862,1286 10.323,1289 5.901,1290 14.624,1293 9.071,1294 1.998,1299 0.097,1300 1.65,1305 31.962,1306 87.319,1307 196.515,1308 238.078,1309 246.078,1310 246.078,1311 246.078,1312 64.387,1313 7.569,1314 95,1315 95,1316 23,1317 12.731,1318 4.248,1319 3.392,1320 44.382,1321 101,1322 131,1323 0.208,1324 198.192,1325 342.52,1326 475.349,1327 17620,1328 4.2,1329 20.38,1330 0.703,1331 0.56,1332 20.01,1333 16.233,1334 14.08,1335 0.44,1336 0.301,1337 9.145,1338 13.139,1339 8.985,1340 7.347,1341 13.958,1342 9.647,1343 12.5,1344 0.278,1345 0.163,1346 12.369,1347 7.329,1348 10.935,1349 0.176,1350 0.088,1351 10.842,1352 5.445,1353 9.155,1354 0.11,1355 0.047,1356 8.762,1357 3.902,1358 7.275,1359 0.069,1360 0.026,1361 7.325,1362 2.763,1363 0.317,1364 92.242,1365 0.216,1366 27.074,1367 0.598,1368 154,1369 539.113,1370 186.024,1371 522.075,1372 688.07,1373 486,1374 184,1375 469.193,1376 210.98,1377 476.953,1378 699.58,1379 449,1380 5.1}
{0 CHEMBL162,1 1.512,2 8.057,3 3.82,4 14.59,5 131.874,6 7.649,7 0.571,8 4.263,9 4.37,10 3.882,11 3.832,12 5.286,13 3.826,14 4.873,15 5.021,16 4.374,17 4.318,18 5.859,19 4.309,20 5.178,21 5.337,22 4.61,23 4.573,24 6.149,25 4.556,26 5.369,27 5.531,28 4.757,29 4.756,30 6.333,31 4.727,32 5.532,33 5.717,34 4.778,35 4.847,36 6.495,37 4.794,38 5.585,39 5.797,40 4.686,41 4.848,42 6.518,43 4.761,44 5.533,45 5.767,46 4.425,47 4.709,48 6.463,49 4.58,50 5.314,51 5.575,52 3.935,53 4.389,54 6.201,55 4.21,56 0.027,57 0.917,58 12.149,59 5.573,60 11.265,61 6.965,62 0.37,63 1.627,64 25.463,65 9.887,66 30.97,67 12.55,68 0.571,69 2.159,70 35.68,71 13.607,72 40.408,73 17.155,74 0.443,75 2.615,76 42.815,77 17.103,78 43.837,79 21.674,80 0.654,81 3.038,82 52.426,83 19.901,84 53.811,85 25.674,86 0.548,87 3.117,88 57.473,89 22.265,90 66.036,91 29.664,92 0.67,93 2.864,94 56.948,95 21.781,96 84.94,97 29.533,98 0.536,99 2.232,100 47.876,101 17.849,102 74.079,103 24.601,104 21,105 68,106 0.238,107 0.589,108 0.78,109 0.837,110 0.857,111 0.878,112 3.592,113 0.875,114 -3.69,115 -3.66,116 -3.48,119 45.9,120 1,121 1,124 2,125 1,127 2,128 1,131 1,142 8,143 6,152 4,158 1,172 13,174 2,175 11,178 1,180 3,183 14,187 3,188 12,191 1,193 2,196 13,200 16,203 3,205 3,208 17,212 2,213 15,216 2,218 2,221 19,224 1,225 13,230 10,233 18,237 1,238 8,241 1,243 10,246 12,250 4,253 1,255 2,258 10,262 1,263 1,266 1,267 1,271 4,275 1554,276 24.479,277 24.479,278 24.479,279 24.479,280 24.479,281 21.802,282 28.268,283 13.618,284 25.037,285 20.655,286 20.655,287 20.655,288 20.655,289 20.655,290 16.241,291 43.083,292 6.255,293 21.485,294 4.419,295 2.197,296 0.988,297 0.627,298 0.496,299 0.365,300 4.332,305 1,306 655,307 3.606,310 83.28,311 145.816,312 35.366,314 304.128,315 103.607,316 57.287,317 460.14,318 0.986,319 31.918,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 75,331 282,332 5.131,333 4.031,334 8.018,335 4.73,336 3.785,337 5.285,338 1.157,339 15.502,340 3.602,341 4.747,342 3.722,343 7.443,344 4.418,345 3.454,346 4.71,347 1.081,348 13.599,349 3.307,350 4.507,351 3.378,352 6.984,353 4.144,354 3.178,355 3.952,356 0.86,357 11.874,358 3.072,359 4.188,360 3.256,361 6.655,362 3.852,363 2.872,364 3.612,365 0.473,366 10.548,367 2.807,368 3.861,369 2.75,370 6.172,371 3.462,372 2.505,373 3.412,374 0.4,375 8.784,376 2.39,377 3.691,378 2.678,379 6.05,380 3.365,381 2.389,382 3.043,383 0.297,384 8.42,385 2.333,386 3.521,387 2.532,388 5.844,389 3.181,390 2.236,391 2.862,393 7.654,394 2.107,395 3.408,396 2.327,397 5.654,398 3.06,399 2.07,400 2.62,402 7.069,403 2.039,404 3.126,405 2.011,406 5.264,407 2.736,408 1.766,409 2.23,411 5.664,412 1.703,413 2.932,414 1.901,415 4.97,416 2.54,417 1.589,418 2.097,420 4.926,421 1.508,422 2.867,423 1.705,424 4.719,425 2.428,426 1.435,427 1.997,429 4.264,430 1.418,431 2.855,432 1.494,433 4.14,434 2.38,435 1.381,436 1.957,438 3.045,439 1.378,440 2.662,441 1.399,442 4.027,443 2.198,444 1.228,445 1.722,447 2.917,448 1.19,449 2.371,450 1.286,451 3.853,452 2.063,453 1.138,454 1.342,456 2.822,457 1.044,458 2.126,459 1.149,460 3.658,461 1.879,462 0.939,463 1.064,465 2.394,466 0.876,467 16.6,468 0.474,469 1.022,470 0.029,471 44.25,472 1.264,473 19.5,474 0.557,475 24.75,476 0.707,477 38.341,478 1.095,479 36.2,480 0.593,481 38.554,482 1.102,483 8.525,484 0.244,485 8.555,486 0.244,487 0.11,488 0.03,489 0.47,493 0.835,494 1.254,495 0.724,496 1.006,497 0.653,498 0.868,499 1.08,500 0.99,501 0.771,502 0.782,503 0.702,504 0.734,505 1.178,506 0.948,507 0.845,508 0.816,509 0.866,510 0.782,511 1.13,512 1.078,513 0.889,514 0.967,515 0.838,516 0.905,517 1.163,518 1.028,519 1.047,520 1.013,521 0.793,522 1.007,523 0.983,524 1.072,525 1.033,526 1.076,527 0.852,528 1.062,529 0.911,530 1.07,531 1.128,532 1.151,533 1.067,534 1.171,535 0.945,536 1.048,537 1.216,538 1.192,539 1.274,540 1.241,541 5.5,542 0.025,543 4.667,544 4.84,545 3.922,546 2.588,547 2.086,548 0.973,549 0.411,550 0.147,551 14300,552 32464,553 2.268,554 42.6,556 18,557 1,559 2,562 3,563 2,564 1.784,565 2.111,566 2.956,567 0.134,574 92.203,575 1.512,576 3.734,577 4.943,578 5.303,579 5.435,580 5.566,581 2.248,582 4.879,583 5.104,584 3.062,585 1821.68,586 9.056,587 24785.1,592 361.775,593 1.549,594 5.058,595 0.131,596 0.006,597 0.069,598 0.057,599 0.04,600 0.027,601 0.024,602 0.015,603 0.012,604 0.009,605 0.39,606 0.5,607 0.75,608 0.74,609 176.229,610 -0.039,611 -0.127,612 0.085,613 -0.022,614 -0.069,615 0.039,616 0.025,617 0.11,618 0.133,619 0.176,620 0.003,621 0.171,622 0.021,623 0.123,624 0.086,625 0.145,626 -0.019,627 0.13,628 -0.05,629 -0.027,630 0.031,631 0.007,632 -0.01,633 0.025,634 -0.078,635 0.018,636 -0.099,637 -0.05,638 -0.007,639 -0.072,640 -0.06,641 -0.083,642 -0.068,643 -0.089,644 0.009,645 -0.08,646 -0.002,647 -0.123,648 -0.134,649 -0.156,650 0.019,651 -0.163,652 -0.054,653 -0.137,654 -0.187,655 -0.192,656 -0.098,657 -0.208,658 2.01,659 6.322,660 0.829,661 25.211,662 1.002,663 1.118,664 2.464,665 6.07,666 0.685,667 3.761,668 4.234,669 4.727,670 5.226,671 5.652,672 6.045,673 6.441,674 6.802,675 7.081,676 7.347,677 5.059,678 0.656,679 466.58,680 3.761,681 5.398,682 6.365,683 7.357,684 8.348,685 9.353,686 10.354,687 11.364,688 12.369,689 13.381,690 6.6,692 1,697 1,698 2,705 8,706 8,711 2,712 2,713 24,720 1,732 61,734 25,735 3,736 42,738 68,739 28,740 18,741 10,742 8,743 1,745 8,746 80,751 1,754 4,757 4,759 19,760 9,763 1,768 1,772 1,778 26,779 5,780 2,781 7,787 4,792 0.125,793 3,804 2,808 3,809 4,810 1,812 6,813 2,814 1,815 7,830 1,834 2,835 1,839 3,843 35,851 2,853 2,854 2,856 3,858 1,867 4.9,870 1,871 2,874 16.583,875 12.067,876 7.347,877 3.789,878 5.329,879 1.503,880 1.089,881 3.859,882 15.919,883 4.025,884 4.787,885 5.612,886 6.453,887 7.231,888 7.931,889 8.645,890 9.319,891 9.871,892 10.431,893 0.667,894 85,895 13.078,897 6.105,898 7.545,899 25.55,901 23.506,903 2.045,904 71.583,908 282.506,909 138.499,910 39.82,912 47.145,915 138.499,916 329.651,917 39.82,918 28.105,919 22.651,920 93.821,921 51.849,922 20.461,923 20.348,924 270.735,926 282.506,927 178.319,928 47.145,931 247.193,932 60.458,933 22,935 53.285,936 125.034,939 282.506,940 86.964,941 138.499,944 282.506,945 34.584,946 107.713,947 36.022,948 47.145,949 282.506,950 86.964,951 138.499,953 0.603,954 0.395,955 0.252,956 0.152,957 43,958 18,959 0.029,960 2,961 10,962 1.586,963 4.034,964 446.328,965 0.69,966 26,967 177.525,973 20.312,974 6.65,975 2.213,976 8.778,977 83.166,978 16.886,983 1.884,984 4.7,985 36.022,986 507.97,987 55,992 13.322,996 0.004,998 61.109,999 68.189,1000 0.255,1001 0.63,1002 0.833,1003 0.894,1004 0.916,1005 0.938,1006 5.357,1007 2.07,1008 6.425,1009 7.654,1010 4.92,1011 5.476,1012 2.133,1013 7.461,1014 4.844,1015 6.635,1016 1.766,1017 8.118,1018 7.069,1019 4.796,1020 5.602,1022 8.844,1023 4.675,1024 8.027,1025 1.589,1026 9.919,1027 5.664,1028 6.744,1029 7.923,1030 2.149,1031 12.085,1032 6.587,1033 9.463,1034 1.435,1035 11.786,1036 4.926,1037 7.468,1038 8.919,1040 14.301,1041 7.255,1042 10.937,1043 1.381,1044 13.695,1045 4.264,1046 8.937,1047 10.764,1048 2.286,1049 17.129,1050 8.689,1051 12.438,1052 1.228,1053 15.635,1054 3.045,1055 10.007,1056 12.137,1058 19.656,1059 9.702,1060 13.961,1061 1.138,1062 17.596,1063 2.917,1064 11.334,1065 13.829,1066 2.465,1067 22.381,1068 10.988,1069 3.785,1070 0.939,1071 19.575,1072 2.822,1073 12.541,1074 15.361,1076 25.023,1077 12.139,1078 3.454,1079 15.502,1080 21.568,1081 2.394,1082 13.834,1083 17.009,1084 2.668,1085 27.73,1086 13.386,1087 3.178,1088 13.599,1089 23.573,1090 5.285,1091 15.094,1092 18.606,1094 30.416,1095 14.592,1096 2.872,1097 11.874,1098 25.587,1099 4.71,1100 16.385,1101 20.245,1102 2.888,1103 33.125,1104 15.834,1105 2.505,1106 10.548,1107 27.61,1108 3.952,1109 17.669,1110 21.871,1112 35.831,1113 17.065,1114 2.389,1115 8.784,1116 29.639,1117 3.612,1118 18.965,1119 23.512,1120 3.12,1121 38.547,1122 18.311,1123 2.236,1124 8.42,1125 31.674,1126 3.412,1127 20.262,1128 25.151,1130 41.264,1131 19.555,1132 12834,1133 19467,1134 28.668,1135 41.762,1136 67.299,1137 68.73,1138 71.374,1139 67.01,1140 67.063,1141 87.688,1142 8.536,1143 226.373,1144 64.499,1145 6.131,1146 6.031,1147 7.696,1148 5.862,1149 5.785,1150 8.285,1151 2.315,1152 24.331,1153 5.602,1154 14.98,1155 1.602,1156 1.636,1157 1.699,1158 1.595,1159 1.597,1160 2.088,1161 0.203,1162 5.39,1163 1.536,1164 4.366,1165 4.389,1166 4.351,1167 4.286,1168 7.429,1169 4.299,1170 4.019,1171 4.046,1172 3.986,1173 3.953,1174 5.093,1175 3.957,1176 3.852,1177 3.888,1178 3.781,1179 3.692,1180 4.812,1181 3.707,1182 3.726,1183 3.764,1184 3.658,1185 3.623,1186 4.7,1187 3.624,1188 3.488,1189 3.552,1190 3.401,1191 3.305,1192 4.465,1193 3.324,1194 3.397,1195 3.461,1196 3.272,1197 3.228,1198 4.409,1199 3.23,1200 3.27,1201 3.347,1202 3.134,1203 3.066,1204 4.253,1205 3.067,1206 3.221,1207 3.293,1208 3.042,1209 2.985,1210 4.076,1211 2.985,1212 0.122,1213 0.096,1214 0.191,1215 0.113,1216 0.09,1217 5.131,1218 0.126,1219 4.031,1220 0.028,1221 8.018,1222 0.369,1223 4.73,1224 0.086,1225 3.785,1226 5.285,1227 1.157,1228 15.502,1229 3.602,1230 2.036,1231 2.028,1232 2.08,1233 2.088,1234 1.366,1235 2.075,1236 1.955,1237 1.93,1238 2.053,1239 2.068,1240 1.349,1241 2.07,1242 1.889,1243 1.856,1244 1.955,1245 2.019,1246 1.166,1247 2.003,1248 1.787,1249 1.751,1250 1.944,1251 1.937,1252 1.137,1253 1.944,1254 1.39,1255 1.33,1256 1.675,1257 1.663,1258 0.845,1259 1.656,1260 1.379,1261 1.319,1262 1.604,1263 1.634,1264 0.758,1265 1.632,1266 1.293,1267 1.223,1268 1.577,1269 1.55,1270 0.67,1271 1.553,1272 1.195,1273 1.115,1274 1.54,1275 1.493,1276 0.591,1277 1.517,1278 4.443,1280 5.878,1281 3.434,1282 7.529,1283 6.009,1284 9.284,1285 8.32,1286 11.098,1288 5.922,1294 1.286,1296 6.64,1297 13.258,1299 -0.335,1301 -0.76,1305 40.025,1306 92.203,1307 227.775,1308 301.51,1309 323.51,1310 331.51,1311 339.51,1312 51.729,1313 10.59,1314 69.45,1315 69.45,1316 46,1317 13.834,1318 4.7,1319 3.807,1320 39.627,1321 112,1322 104,1323 0.19,1324 230.101,1325 383.55,1326 553.206,1327 628354,1329 23.637,1330 0.675,1331 0.568,1332 23.637,1333 19.884,1334 17.08,1335 0.407,1336 0.292,1337 12.073,1338 16.441,1339 11.765,1340 9.596,1341 17.08,1342 12.253,1343 16.322,1344 0.24,1345 0.149,1346 16.322,1347 10.137,1348 15.926,1349 0.142,1350 0.077,1351 15.926,1352 8.596,1353 15.835,1354 0.086,1355 0.04,1356 15.835,1357 7.334,1358 14.487,1359 0.051,1360 0.02,1361 14.487,1362 5.703,1363 0.273,1364 106.923,1365 0.187,1366 29.807,1367 0.616,1368 220,1369 539.163,1370 239.789,1371 517.065,1372 750.66,1373 492,1374 290,1375 592.552,1376 312.869,1377 597.473,1378 923.77,1379 568,1380 7.487}
{0 CHEMBL1624529,1 1.88,2 10.033,3 2.188,4 4.787,5 101.04,6 9.253,7 0.353,8 3.98,9 4.077,10 3.703,11 3.501,12 5.283,13 3.545,14 4.501,15 4.633,16 4.124,17 3.904,18 5.894,19 3.941,20 4.792,21 4.967,22 4.239,23 4.011,24 6.182,25 4.041,26 4.823,27 5.013,28 4.263,29 3.957,30 6.431,31 4.006,32 4.733,33 4.904,34 4.215,35 3.959,36 6.242,37 4.003,38 4.699,39 4.85,40 4.225,41 3.924,42 6.21,43 3.987,44 4.741,45 4.885,46 4.23,47 3.862,48 6.607,49 3.925,50 4.664,51 4.843,52 3.925,53 3.717,54 6.209,55 3.741,56 0.299,57 0.926,58 5.585,59 3.93,60 50.392,61 3.728,62 0.61,63 1.499,64 11.458,65 6.576,66 92.777,67 6.737,68 1.032,69 1.855,70 20.197,71 8.673,72 148.239,73 9.486,74 1.439,75 1.899,76 24.466,77 8.386,78 225.799,79 9.101,80 1.174,81 1.802,82 20.404,83 8.416,84 179.069,85 8.614,86 0.948,87 1.753,88 17.336,89 8.048,90 133.384,91 7.824,92 1.559,93 1.715,94 19.426,95 8.258,96 268.165,97 7.74,98 1.315,99 1.626,100 21.116,101 8.267,102 223.581,103 7.866,104 51,105 53,106 0.321,107 0.715,108 0.828,109 0.877,110 0.877,111 0.877,112 3.442,113 0.813,114 -4.44,115 -4.37,116 -4.12,119 44.4,122 2,125 2,127 1,136 1,137 1,142 4,143 1,144 4,147 2,157 1,158 1,163 1,164 1,165 1,167 1,170 1,172 3,173 1,174 2,175 9,178 1,180 3,183 2,185 2,188 6,189 2,196 2,197 1,199 5,200 6,202 1,203 3,205 1,208 2,209 1,213 3,214 1,218 1,221 7,222 1,224 2,225 6,227 1,228 2,230 1,233 4,234 2,238 6,239 1,243 3,248 1,249 1,250 2,252 1,253 2,255 1,258 4,260 1,271 4,272 2,275 1442,276 19.74,277 19.74,278 19.74,279 19.74,280 19.74,281 17.803,282 29.209,283 10.888,284 20.127,285 16.718,286 16.718,287 16.718,288 16.718,289 16.718,290 13.626,291 44.125,292 5.146,293 17.455,294 3.612,295 1.306,296 0.639,297 0.356,298 0.356,299 0.356,300 4.136,304 1,305 1,306 665,307 3.162,308 45.121,310 68.052,311 313.577,315 124.173,318 1.307,319 70.648,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 69.5,331 301,332 4.648,333 3.797,334 7.027,335 4.37,336 3.395,337 4.272,338 1.437,339 11.988,340 3.32,341 4.397,342 3.512,343 6.957,344 4.283,345 3.308,346 3.898,347 0.8,348 11.759,349 3.234,350 4.25,351 3.419,352 6.434,353 3.863,354 2.909,355 3.66,356 0.8,357 9.862,358 2.778,359 4.155,360 3.299,361 6.402,362 3.806,363 2.841,364 3.346,366 9.672,367 2.7,368 3.767,369 3.158,370 5.946,371 3.413,372 2.453,373 3.076,375 8.117,376 2.345,377 3.578,378 2.885,379 5.422,380 3.205,381 2.253,382 2.872,384 6.737,385 2.123,386 3.245,387 2.582,388 5.016,389 2.829,390 1.915,391 2.462,393 5.589,394 1.733,395 3.064,396 2.445,397 4.919,398 2.759,399 1.808,400 2.118,402 5.322,403 1.698,404 2.914,405 2.028,406 4.442,407 2.436,408 1.479,409 2.009,411 3.973,412 1.393,413 2.729,414 1.602,415 4.247,416 2.236,417 1.254,418 1.73,420 3.292,421 1.218,422 2.452,423 1.416,424 4.166,425 2.03,426 1.08,427 1.397,429 3.144,430 1.018,431 2,432 1.159,433 3.959,434 1.984,435 1,436 1,438 3.02,439 0.983,440 1.92,441 1.077,442 3.676,443 1.452,444 0.51,445 0.53,447 1.366,448 0.478,449 1.565,450 0.757,451 3.219,452 1.338,453 0.329,454 0.478,456 0.83,457 0.323,458 1.27,459 0.532,460 3.086,461 0.911,462 0.01,463 0.012,465 0.026,466 0.009,467 13.457,468 0.449,469 1.087,470 0.036,471 38.25,472 1.275,473 17.5,474 0.583,475 20.75,476 0.692,477 25.468,478 0.849,479 32.743,480 0.728,481 34.03,482 1.134,483 7.569,484 0.252,485 6.688,486 0.223,487 0.168,489 0.542,491 3,493 0.657,494 0.981,495 0.599,496 0.941,497 0.6,498 0.801,499 0.617,500 0.993,501 0.68,502 1.013,503 0.513,504 0.918,505 0.827,506 1.048,507 0.88,508 1.118,509 0.796,510 1.057,511 0.828,512 0.827,513 0.829,514 0.738,515 0.814,516 0.751,517 0.971,518 0.986,519 0.881,520 0.928,521 0.971,522 0.872,523 1.001,524 1.14,525 0.857,526 1.088,527 0.961,528 0.958,529 0.995,530 1.082,531 1.015,532 1.133,533 0.987,534 1.106,535 1.256,536 1.052,537 1.241,538 1.086,539 1.346,540 1.148,541 7,542 0.189,543 5.5,544 2.597,545 2.686,546 1.879,547 1.354,548 0.756,549 0.522,550 0.338,551 10746,552 38791,553 2.084,554 33.3,556 9,557 1,559 3,562 2,564 1.737,565 1.875,566 3.256,567 0.966,568 1,569 1,574 84.582,575 1.88,576 4.186,577 4.853,578 5.136,579 5.136,580 5.136,581 2.681,582 4.348,583 4.875,584 3.392,585 1475.55,586 8.557,587 19389.5,589 1,591 1,592 247.133,593 1.498,594 4.803,595 0.206,596 0.011,597 0.11,598 0.049,599 0.051,600 0.036,601 0.026,602 0.016,603 0.015,604 0.013,605 0.532,606 0.33,607 0.88,608 0.817,609 149.877,610 -0.089,611 -0.067,612 -0.004,613 0.046,614 -0.055,615 0.066,616 0.009,617 -0.089,618 0.029,619 -0.05,620 0.079,621 -0.014,622 -0.029,623 -0.108,624 0.01,625 -0.154,626 -0.024,627 -0.089,628 0.083,629 0.072,630 0.151,631 0.184,632 0.076,633 0.205,634 -0.022,635 0.065,636 0.044,637 0.066,638 -0.05,639 0.089,640 -0.091,641 -0.157,642 0.015,643 -0.118,644 -0.07,645 -0.034,646 0.171,647 0.025,648 -0.063,649 -0.142,650 0.206,651 -0.201,652 -0.122,653 -0.037,654 -0.192,655 -0.083,656 -0.162,657 -0.153,658 3.226,659 6.835,660 0.733,661 26.596,662 1.047,663 1.145,664 3.213,665 10.325,666 0.678,667 3.555,668 3.989,669 4.317,670 4.625,671 4.934,672 5.142,673 5.328,674 5.489,675 5.69,676 5.784,677 5.881,678 0.69,679 416.39,680 3.555,681 5.165,682 6.075,683 7.013,684 7.943,685 8.885,686 9.822,687 10.767,688 11.708,689 12.654,690 8.9,691 1,696 1,698 1,700 1,706 4,707 1,711 7,713 12,718 1,727 2,731 3,732 45,734 15,735 1,736 34,738 49,739 20,740 11,741 3,742 3,743 4,745 5,746 7,754 1,755 2,757 1,759 15,760 5,761 2,763 3,768 2,770 1,772 3,775 1,776 3,778 15,779 10,780 3,781 10,787 4,792 0.6,793 3,802 1,805 1,806 1,808 1,809 4,813 1,824 1,828 1,829 1,833 1,835 3,841 3,843 30,844 1,850 1,851 2,856 3,857 2,866 3,867 6.7,869 1,870 2,874 16,875 8.062,876 6.25,877 2.604,878 2.605,879 1.319,880 1.006,881 4.177,882 10.777,883 3.784,884 4.419,885 4.994,886 5.54,887 6.118,888 6.514,889 6.948,890 7.351,891 7.77,892 8.018,893 0.857,894 53,895 11.398,897 5.559,898 8.456,899 20.229,901 17.947,903 2.956,904 88.667,908 141.253,909 98.354,910 55.931,912 92.973,913 44.88,915 98.354,916 234.226,917 100.812,919 46.156,920 37.905,921 115.802,922 42.74,923 61.307,924 129.482,926 141.253,927 154.285,928 137.854,931 162.591,932 116.515,935 40.233,936 97.267,937 16.786,939 186.134,940 148.905,941 98.354,944 141.253,945 51.402,946 53.201,948 187.536,949 141.253,950 193.785,951 98.354,953 0.613,954 0.364,955 0.192,956 0.108,957 30,958 15,959 0.061,960 3,961 2,962 1.182,963 3.941,964 298.425,965 0.182,966 22,967 143.207,973 19.103,974 6.56,975 3.008,977 193.785,978 3.616,979 4.258,983 -3.3,985 75.581,986 433.392,987 43,992 24.114,994 0.912,996 -3.189,998 47.112,999 51.547,1000 0.342,1001 0.762,1002 0.884,1003 0.935,1004 0.935,1005 0.935,1006 5.106,1007 1.808,1008 6.125,1009 5.589,1010 4.673,1011 5.106,1012 1.953,1013 7.05,1014 4.59,1015 6.357,1016 1.479,1017 7.765,1018 5.322,1019 4.575,1020 5.121,1021 0.57,1022 8.238,1023 4.452,1024 7.713,1025 1.254,1026 9.504,1027 3.973,1028 6.428,1029 7.3,1030 2.346,1031 11.341,1032 6.284,1033 9.098,1034 1.08,1035 11.297,1036 3.292,1037 7.091,1038 8.049,1039 0.479,1040 13.298,1041 6.921,1042 10.51,1043 1,1044 13.126,1045 3.144,1046 8.495,1047 9.779,1048 2.951,1049 15.963,1050 8.302,1051 11.94,1052 0.51,1053 14.978,1054 3.02,1055 9.467,1056 10.853,1057 0.346,1058 18.218,1059 9.254,1060 13.385,1061 0.329,1062 16.846,1063 1.366,1064 10.723,1065 12.41,1066 3.628,1067 20.743,1068 10.489,1069 3.395,1070 0.01,1071 18.727,1072 0.83,1073 11.823,1074 13.646,1075 0.237,1076 23.118,1077 11.57,1078 3.308,1079 11.988,1080 20.618,1081 0.026,1082 13.033,1083 15.128,1084 4.332,1085 25.599,1086 12.759,1087 2.909,1088 11.759,1089 22.516,1090 4.272,1091 14.187,1092 16.45,1093 0.158,1094 28.025,1095 13.895,1096 2.841,1097 9.862,1098 24.42,1099 3.898,1100 15.384,1101 17.899,1102 5.048,1103 30.493,1104 15.073,1105 2.453,1106 9.672,1107 26.329,1108 3.66,1109 16.564,1110 19.268,1111 0.104,1112 32.943,1113 16.233,1114 2.253,1115 8.117,1116 28.242,1117 3.346,1118 17.76,1119 20.705,1120 5.769,1121 35.409,1122 17.41,1123 1.915,1124 6.737,1125 30.159,1126 3.076,1127 18.952,1128 22.102,1129 0.068,1130 37.87,1131 18.582,1132 10109,1133 19356,1134 22.024,1135 30.529,1136 53.965,1137 56.022,1138 56.369,1139 53.328,1140 53.089,1141 65.721,1142 6.073,1143 169.395,1144 50.704,1145 5.648,1146 5.797,1147 6.311,1148 5.446,1149 5.395,1150 7.272,1151 2.873,1152 19.693,1153 5.32,1154 18.633,1155 1.587,1156 1.648,1157 1.658,1158 1.568,1159 1.561,1160 1.933,1161 0.179,1162 4.982,1163 1.491,1164 4.098,1165 4.14,1166 4.058,1167 3.973,1168 8.212,1169 3.986,1170 3.983,1171 4.017,1172 3.922,1173 3.875,1174 8.201,1175 3.883,1176 3.839,1177 3.862,1178 3.808,1179 3.745,1180 8.191,1181 3.756,1182 3.585,1183 3.598,1184 3.563,1185 3.425,1186 7.48,1187 3.453,1188 3.186,1189 3.249,1190 3.136,1191 2.917,1192 7.422,1193 2.955,1194 3.095,1195 3.141,1196 3.049,1197 2.854,1198 6.351,1199 2.895,1200 2.968,1201 2.985,1202 2.883,1203 2.733,1204 5.032,1205 2.734,1206 2.898,1207 2.956,1208 2.822,1209 2.645,1210 4.787,1211 2.695,1212 0.137,1213 0.112,1214 0.207,1215 0.129,1216 0.1,1217 4.648,1218 0.126,1219 3.797,1220 0.042,1221 7.027,1222 0.353,1223 4.37,1224 0.098,1225 3.395,1226 4.272,1227 1.437,1228 11.988,1229 3.32,1230 1.956,1231 1.933,1232 2.003,1233 2.093,1234 1.149,1235 2.065,1236 1.809,1237 1.788,1238 1.883,1239 1.931,1240 1.069,1241 1.916,1242 1.573,1243 1.537,1244 1.732,1245 1.778,1246 1.02,1247 1.762,1248 1.398,1249 1.353,1250 1.591,1251 1.611,1252 0.94,1253 1.585,1254 1.326,1255 1.265,1256 1.529,1257 1.486,1258 0.612,1259 1.526,1260 1.045,1261 0.962,1262 1.345,1263 1.398,1264 0.439,1265 1.387,1266 0.951,1267 0.915,1268 1.121,1269 1.255,1270 0.162,1271 1.191,1272 0.859,1273 0.804,1274 1.036,1275 1.113,1276 0.06,1277 1.079,1278 4.234,1279 1.946,1280 5.638,1281 4.263,1282 7.245,1283 6.33,1284 8.952,1285 8.304,1286 10.713,1290 42.668,1292 5.92,1293 9.364,1294 1.007,1299 0.565,1300 2.731,1305 31.068,1306 84.582,1307 188.362,1308 218.379,1309 231.133,1310 231.133,1311 231.133,1312 91.248,1313 8.172,1314 101.45,1315 101.45,1316 26,1317 13.146,1318 4,1319 3.322,1320 41.214,1321 103,1322 126,1323 0.195,1324 182.064,1325 335.78,1326 435.997,1327 37368,1328 6.7,1329 21.317,1330 0.711,1331 0.512,1332 18.706,1333 15.35,1334 14.257,1335 0.419,1336 0.271,1337 9.014,1338 13.444,1339 8.944,1340 7.236,1341 13.042,1342 9.211,1343 14.084,1344 0.266,1345 0.144,1346 12.384,1347 7.618,1348 12.141,1349 0.164,1350 0.077,1351 10.936,1352 5.68,1353 10.264,1354 0.102,1355 0.039,1356 9.169,1357 3.973,1358 8.393,1359 0.061,1360 0.02,1361 7.624,1362 2.749,1363 0.294,1364 91.681,1365 0.213,1366 27.505,1367 0.575,1368 174,1369 726.202,1370 200.378,1371 616.316,1372 805.18,1373 568,1374 217,1375 572.444,1376 243.657,1377 556.712,1378 832.62,1379 524,1380 5.1}
{0 CHEMBL1682341,1 1.449,2 9.381,3 3.215,4 10.334,5 83.612,6 8.098,7 0.875,8 3.669,9 3.796,10 3.333,11 3.262,12 4.836,13 3.253,14 4.131,15 4.282,16 3.657,17 3.641,18 5.22,19 3.615,20 4.307,21 4.51,22 3.541,23 3.671,24 5.303,25 3.596,26 4.331,27 4.582,28 3.419,29 3.546,30 5.283,31 3.462,32 4.119,33 4.364,34 3.323,35 3.356,36 5.114,37 3.294,38 3.959,39 4.187,40 3.235,41 3.224,42 5.027,43 3.184,44 3.842,45 4.085,46 3.016,47 3.108,48 4.833,49 3.039,50 3.615,51 3.82,52 2.778,53 3.045,54 4.531,55 2.938,56 0.087,57 0.566,58 5.823,59 2.68,60 7.634,61 3.374,62 0.061,63 0.87,64 9.983,65 4.328,66 8.126,67 5.558,68 0.098,69 0.972,70 13.838,71 5.466,72 15.789,73 7.285,74 0.158,75 0.964,76 16.321,77 5.537,78 20.901,79 7.685,80 0.162,81 0.799,82 13.014,83 4.401,84 17.354,85 6.115,86 0.16,87 0.706,88 10.47,89 3.32,90 17.007,91 4.467,92 0.162,93 0.605,94 9.738,95 3.2,96 14.667,97 4.358,98 0.044,99 0.455,100 7.02,101 3.121,102 7.175,103 4.214,105 33,106 0.26,107 0.601,108 0.74,109 0.846,110 0.861,111 0.861,112 3.103,113 0.846,114 -3.9,115 -3.85,116 -3.66,119 47.1,121 1,142 8,143 2,144 1,145 1,146 1,151 1,152 1,166 2,168 1,172 9,174 1,175 4,180 2,183 10,188 9,193 2,196 7,200 9,208 1,212 1,213 8,216 1,221 2,224 1,225 5,228 1,233 4,237 1,238 2,241 1,246 6,250 1,255 1,258 8,263 1,268 1,271 6,275 537,276 14.74,277 14.74,278 14.74,279 14.74,280 14.74,281 12.321,282 13.601,283 8.859,284 14.909,285 11.909,286 11.909,287 11.909,288 11.909,289 11.909,290 8.36,291 17.212,292 4.271,293 12.184,294 3.639,295 1.742,296 0.963,297 0.375,298 0.294,299 0.294,300 3.808,303 1,304 1,305 1,306 446,307 2,310 99.611,311 118.01,314 81.465,318 1.601,319 8.472,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 44.5,331 197,332 4.47,333 3.134,334 6.306,335 3.998,336 3.027,337 4.392,338 0.68,339 9.639,340 2.942,341 4.197,342 2.933,343 6.033,344 3.756,345 2.784,346 3.856,348 8.731,349 2.706,350 3.906,351 2.697,352 5.542,353 3.518,354 2.533,355 3.446,357 7.53,358 2.489,359 3.551,360 2.245,361 5.048,362 3.108,363 2.134,364 2.97,366 6.089,367 2.076,368 3.034,369 1.572,370 4.407,371 2.518,372 1.534,373 2.301,375 4.277,376 1.508,377 2.936,378 1.534,379 4.194,380 2.488,381 1.495,382 2.118,384 3.745,385 1.484,386 2.751,387 1.348,388 3.578,389 2.269,390 1.291,391 1.863,393 2.979,394 1.261,395 2.512,396 1.044,397 3.432,398 2,399 1.025,400 1.518,402 2.359,403 1,404 2.5,405 1,406 3.274,407 1.998,408 1,409 1.5,411 2.136,412 0.996,413 2.186,414 0.714,415 3.247,416 1.665,417 0.698,418 1.034,420 1.691,421 0.674,422 1.889,423 0.404,424 3.031,425 1.362,426 0.394,427 0.588,429 0.981,430 0.381,431 1.18,432 0.131,433 2.761,434 0.884,435 -0.109,436 -0.136,438 -0.288,439 -0.108,440 0.79,441 -0.555,442 2.466,443 0.328,444 -0.651,445 -0.897,447 -1.743,448 -0.635,449 0.578,450 -0.762,451 2.112,452 0.09,453 -0.897,454 -1.241,456 -2.251,457 -0.883,458 0.5,459 -0.911,460 1.611,461 0.041,462 -0.946,463 -1.368,465 -2.347,466 -0.935,467 10,468 0.476,469 0.376,470 0.018,471 31.25,472 1.488,473 18,474 0.857,475 13.25,476 0.631,477 12,478 0.571,479 20.6,480 0.606,481 19.175,482 0.913,483 6.383,484 0.304,485 3.999,486 0.19,489 0.29,493 0.561,494 0.887,495 0.682,496 0.857,497 0.633,498 0.801,499 0.885,500 1.22,501 0.857,502 1.067,503 0.845,504 0.979,505 1.047,506 1.163,507 1.111,508 1.169,509 1.023,510 1.153,511 1.208,512 1.061,513 1.037,514 0.982,515 1.108,516 0.984,517 1.045,518 0.99,519 0.903,520 0.898,521 1.063,522 0.883,523 1.362,524 1.019,525 1.037,526 0.893,527 1.187,528 0.914,529 1.226,530 0.74,531 1.063,532 0.799,533 1.15,534 0.887,535 0.652,536 0.865,537 1.069,538 1.115,539 0.875,540 1.145,541 3.5,542 0.04,543 1.778,544 0.917,545 0.769,546 0.348,547 0.321,548 0.122,549 0.056,550 0.078,551 5126,552 12956,553 2.246,554 38.2,556 8,557 1,558 1,559 1,560 2,564 1.626,565 2.211,566 3.236,567 -0.291,569 1,571 1,574 49.258,575 1.449,576 3.346,577 4.124,578 4.712,579 4.793,580 4.793,581 2.701,582 4.107,583 4.365,584 3.374,585 708.442,586 7.449,587 7553.57,588 1,589 1,590 1,591 1,592 172.974,593 0.863,594 4.366,595 0.146,596 0.004,597 0.054,598 0.033,599 0.032,600 0.016,601 0.016,602 0.008,603 0.004,604 0.006,605 0.319,606 0.83,607 1,609 95.579,610 0.353,611 0.213,612 0.078,613 0.047,614 0.142,615 0.028,616 -0.001,617 -0.173,618 -0.046,619 -0.142,620 -0.055,621 -0.108,622 -0.157,623 -0.187,624 -0.195,625 -0.206,626 -0.152,627 -0.206,628 -0.145,629 -0.109,630 -0.004,631 -0.01,632 -0.054,633 0.008,634 0.086,635 -0.012,636 0.125,637 0.058,638 0.065,639 0.089,640 -0.055,641 0.032,642 -0.048,643 0.004,644 0.021,645 -0.016,646 -0.042,647 0.268,648 -0.05,649 0.141,650 -0.022,651 0.064,652 -0.071,653 0.035,654 -0.156,655 -0.074,656 -0.146,657 -0.117,658 0.714,659 1.245,660 0.952,661 16.653,662 1.001,663 1.122,664 2.667,665 7.112,666 0.708,667 3.219,668 3.526,669 3.807,670 4.078,671 4.22,672 4.29,673 4.443,674 4.564,675 4.564,676 4.625,677 5.633,678 0.683,679 275.34,680 3.219,681 4.745,682 5.595,683 6.463,684 7.326,685 8.199,686 9.067,687 9.943,688 10.815,689 11.692,690 14.7,698 2,700 3,705 2,706 10,707 3,708 1,711 3,712 1,713 21,732 34,734 21,735 2,736 24,738 37,739 16,740 15,741 4,742 8,745 4,746 5,757 1,759 15,760 1,774 1,775 1,778 13,779 3,780 1,781 5,787 5,792 0.75,800 1,808 2,809 2,812 1,835 3,843 21,851 1,864 1,874 9.5,875 6.133,876 4.556,877 1.961,878 3.946,879 1.554,880 1.061,881 2.928,882 11.065,883 3.57,884 4.22,885 4.856,886 5.483,887 5.935,888 6.278,889 6.767,890 7.231,891 7.47,892 7.832,893 1,894 28,895 7.682,897 3.262,898 7.563,899 14.832,901 12.247,903 2.063,904 43.333,905 0.001,908 141.253,909 109.856,910 68.306,915 109.856,916 141.253,917 68.306,919 2.535,920 84.857,921 61.638,922 38.759,923 13.915,924 117.711,926 141.253,927 178.162,931 141.253,935 32.778,936 95.517,937 49.867,939 141.253,940 68.306,941 109.856,944 141.253,945 15.951,946 95.681,947 16.663,948 49.867,949 141.253,950 68.306,951 109.856,953 0.576,954 0.334,955 0.185,956 0.092,957 18,958 6,959 0.081,960 3,961 1,962 1.1,963 3.562,964 163.624,965 0.1,966 20,967 88.239,973 12.155,974 5.058,975 2.404,976 2.08,977 49.867,978 20.083,979 12.482,980 2.941,983 3.166,984 1.796,985 16.663,986 319.415,987 34.5,998 34.043,999 38.152,1000 0.285,1001 0.658,1002 0.811,1003 0.926,1004 0.942,1005 0.942,1006 4.764,1007 1.025,1008 5.549,1009 2.979,1010 4.205,1011 4.905,1012 0.655,1013 6.319,1014 4.159,1015 5.973,1016 1,1017 7.071,1018 2.359,1019 3.611,1020 4.559,1022 7.081,1023 3.528,1024 7.27,1025 0.698,1026 8.69,1027 2.136,1028 5.753,1029 7.157,1030 0.356,1031 10.176,1032 5.656,1033 8.607,1034 0.394,1035 10.368,1036 1.691,1037 6.043,1038 7.729,1040 11.794,1041 5.902,1042 9.976,1043 -0.109,1044 12.084,1045 0.981,1046 7.576,1047 9.687,1048 0.18,1049 14.345,1050 7.425,1051 11.369,1052 -0.651,1053 13.827,1054 -0.288,1055 8.274,1056 10.699,1058 16.308,1059 8.078,1060 12.78,1061 -0.897,1062 15.588,1063 -1.743,1064 9.55,1065 12.381,1066 0.087,1067 18.667,1068 9.342,1069 3.027,1070 -0.946,1071 17.363,1072 -2.251,1073 10.445,1074 13.615,1076 20.781,1077 10.195,1078 2.784,1079 9.639,1080 19.147,1081 -2.347,1082 11.609,1083 15.173,1084 0.041,1085 23.067,1086 11.341,1087 2.533,1088 8.731,1089 20.939,1090 4.392,1091 12.6,1092 16.521,1094 25.25,1095 12.294,1096 2.134,1097 7.53,1098 22.736,1099 3.856,1100 13.716,1101 18.023,1102 0.019,1103 27.509,1104 13.388,1105 1.534,1106 6.089,1107 24.538,1108 3.446,1109 14.755,1110 19.429,1112 29.725,1113 14.392,1114 1.495,1115 4.277,1116 26.344,1117 2.97,1118 15.852,1119 20.91,1120 0.009,1121 31.976,1122 15.464,1123 1.291,1124 3.745,1125 28.154,1126 2.301,1127 16.915,1128 22.346,1130 34.209,1131 16.495,1132 4697,1133 7597,1134 16.989,1135 24.074,1136 36.24,1137 35.752,1138 35.705,1139 35.822,1140 35.832,1141 51.174,1142 1.36,1143 100.312,1144 35.031,1145 5.231,1146 5.134,1147 6.108,1148 5.045,1149 5.027,1150 7.392,1151 1.36,1152 16.128,1153 4.942,1155 1.51,1156 1.49,1157 1.488,1158 1.493,1159 1.493,1160 2.132,1161 0.057,1162 4.18,1163 1.46,1164 4.124,1165 4.17,1166 4.088,1167 4.004,1168 5.15,1169 4.018,1170 3.94,1171 3.983,1172 3.881,1173 3.865,1174 5.029,1175 3.86,1176 3.774,1177 3.837,1178 3.728,1179 3.564,1180 4.738,1181 3.599,1182 3.307,1183 3.373,1184 3.226,1185 3.143,1186 4.329,1187 3.155,1188 3.046,1189 3.119,1190 2.914,1191 2.898,1192 3.8,1193 2.894,1194 2.909,1195 2.979,1196 2.788,1197 2.755,1198 3.754,1199 2.756,1200 2.854,1201 2.925,1202 2.687,1203 2.735,1204 3.674,1205 2.715,1206 2.486,1207 2.583,1208 2.332,1209 2.259,1210 3.449,1211 2.259,1212 0.186,1213 0.131,1214 0.263,1215 0.167,1216 0.126,1217 4.47,1218 0.183,1219 3.134,1220 0.028,1221 6.306,1222 0.402,1223 3.998,1224 0.123,1225 3.027,1226 4.392,1227 0.68,1228 9.639,1229 2.942,1230 1.947,1231 1.921,1232 2.049,1233 2.045,1234 1.19,1235 2.041,1236 1.914,1237 1.886,1238 2.017,1239 1.995,1240 1.152,1241 2.01,1242 1.48,1243 1.434,1244 1.64,1245 1.675,1246 0.791,1247 1.646,1248 1.312,1249 1.23,1250 1.465,1251 1.606,1252 0.438,1253 1.587,1254 1.199,1255 1.13,1256 1.326,1257 1.498,1258 0.404,1259 1.441,1260 0.886,1261 0.821,1262 1.181,1263 1.075,1264 0.218,1265 1.107,1266 0.86,1267 0.798,1268 1.104,1269 1.062,1270 0.154,1271 1.092,1272 0.787,1273 0.696,1274 1.001,1275 1.05,1277 1.05,1278 3.892,1280 5.198,1281 3.045,1282 6.691,1283 5.283,1284 8.265,1285 7.273,1286 9.882,1294 0.787,1305 23.214,1306 49.258,1307 113.754,1308 140.219,1309 160.219,1310 162.974,1311 162.974,1312 19.931,1313 7.119,1314 59.39,1315 59.39,1316 22,1317 12.231,1318 4.459,1319 3.524,1320 28.192,1321 71,1322 65,1323 0.195,1324 142.299,1325 223.56,1326 338.97,1327 11728,1329 14.071,1330 0.67,1331 0.537,1332 14.071,1333 11.269,1334 10.382,1335 0.433,1336 0.282,1337 6.689,1338 10.018,1339 6.56,1340 5.455,1341 10.382,1342 6.77,1343 9.203,1344 0.279,1345 0.15,1346 9.203,1347 4.958,1348 7.97,1349 0.181,1350 0.079,1351 7.97,1352 3.457,1353 6.817,1354 0.118,1355 0.041,1356 6.817,1357 2.383,1358 5.099,1359 0.076,1360 0.022,1361 5.099,1362 1.502,1363 0.307,1364 64.73,1365 0.243,1366 21.045,1367 0.53,1368 114,1369 306.913,1370 123.02,1371 308.196,1372 437.15,1373 290,1374 134,1375 345.263,1376 144.63,1377 349.874,1378 502.88,1379 329,1380 5.1}
{0 CHEMBL1682345,1 1.449,2 9.381,3 3.187,4 10.155,5 83.897,6 8.098,7 0.875,8 3.669,9 3.796,10 3.333,11 3.262,12 4.835,13 3.253,14 4.133,15 4.287,16 3.654,17 3.643,18 5.219,19 3.618,20 4.303,21 4.502,22 3.54,23 3.679,24 5.3,25 3.6,26 4.331,27 4.582,28 3.424,29 3.539,30 5.286,31 3.456,32 4.123,33 4.372,34 3.317,35 3.344,36 5.113,37 3.292,38 3.956,39 4.182,40 3.234,41 3.23,42 5.024,43 3.186,44 3.843,45 4.087,46 3.026,47 3.111,48 4.84,49 3.036,50 3.615,51 3.82,52 2.778,53 3.045,54 4.531,55 2.938,56 0.087,57 0.566,58 5.823,59 2.68,60 7.683,61 3.374,62 0.08,63 0.872,64 10.126,65 4.253,66 8.339,67 5.432,68 0.079,69 0.964,70 13.642,71 5.603,72 15.413,73 7.488,74 0.149,75 0.966,76 16.277,77 5.544,78 21.018,79 7.71,80 0.141,81 0.801,82 13.199,83 4.169,84 17.285,85 5.77,86 0.15,87 0.702,88 10.372,89 3.389,90 16.677,91 4.568,92 0.202,93 0.611,94 9.75,95 3.295,96 15.062,97 4.499,98 0.044,99 0.455,100 7.02,101 3.121,102 7.175,103 4.214,105 33,106 0.26,107 0.601,108 0.74,109 0.846,110 0.861,111 0.861,112 3.103,113 0.845,114 -3.9,115 -3.85,116 -3.66,119 47.1,125 1,142 8,143 3,145 1,146 1,151 1,152 1,166 2,168 1,172 10,174 1,175 3,180 2,183 10,188 9,193 2,196 5,200 13,205 1,213 9,221 1,224 1,225 3,228 1,233 4,237 2,238 1,241 2,246 8,258 9,263 1,268 1,271 6,275 537,276 14.74,277 14.74,278 14.74,279 14.74,280 14.74,281 12.321,282 8.381,283 8.859,284 14.899,285 11.909,286 11.909,287 11.909,288 11.909,289 11.909,290 8.36,291 13.558,292 4.271,293 12.168,294 3.639,295 1.742,296 0.963,297 0.375,298 0.294,299 0.294,300 3.808,303 1,304 1,305 1,306 446,307 2,310 99.611,311 118.01,314 81.465,318 1.601,319 8.518,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 44.5,331 197,332 4.47,333 3.053,334 6.306,335 4.009,336 3.027,337 4.392,338 0.522,339 9.639,340 2.974,341 4.197,342 2.897,343 6.033,344 3.753,345 2.784,346 3.856,348 8.731,349 2.695,350 3.906,351 2.642,352 5.542,353 3.522,354 2.533,355 3.446,357 7.53,358 2.505,359 3.551,360 2.184,361 5.048,362 3.108,363 2.134,364 2.97,366 6.089,367 2.074,368 3.034,369 1.565,370 4.407,371 2.518,372 1.534,373 2.301,375 4.277,376 1.508,377 2.936,378 1.534,379 4.194,380 2.482,381 1.495,382 2.118,384 3.745,385 1.476,386 2.751,387 1.327,388 3.578,389 2.262,390 1.291,391 1.863,393 2.979,394 1.251,395 2.512,396 1.035,397 3.432,398 2,399 1.025,400 1.518,402 2.359,403 1,404 2.5,405 1,406 3.274,407 1.99,408 1,409 1.5,411 2.136,412 0.986,413 2.186,414 0.703,415 3.247,416 1.678,417 0.698,418 1.034,420 1.691,421 0.683,422 1.889,423 0.397,424 3.031,425 1.366,426 0.394,427 0.588,429 0.981,430 0.382,431 1.18,432 0.104,433 2.761,434 0.863,435 -0.109,436 -0.136,438 -0.288,439 -0.105,440 0.79,441 -0.63,442 2.466,443 0.343,444 -0.651,445 -0.897,447 -1.743,448 -0.647,449 0.578,450 -0.821,451 2.112,452 0.081,453 -0.897,454 -1.241,456 -2.251,457 -0.876,458 0.5,459 -0.923,460 1.611,461 0.026,462 -0.946,463 -1.368,465 -2.347,466 -0.918,467 10,468 0.476,469 0.376,470 0.018,471 31.25,472 1.488,473 18,474 0.857,475 13.25,476 0.631,477 11.838,478 0.564,479 20.6,480 0.606,481 19.336,482 0.921,483 6.401,484 0.305,485 3.981,486 0.19,489 0.29,493 0.561,494 0.887,495 0.682,496 0.857,497 0.637,498 0.801,499 0.986,500 1.129,501 0.88,502 0.989,503 0.875,504 0.933,505 0.931,506 1.198,507 1.091,508 1.222,509 0.998,510 1.187,511 1.185,512 1.117,513 1.028,514 1.018,515 1.09,516 1.004,517 1.38,518 1.074,519 0.943,520 0.843,521 1.126,522 0.833,523 1.277,524 1.044,525 1.023,526 0.932,527 1.178,528 0.939,529 0.968,530 0.573,531 1.043,532 0.787,533 1.103,534 0.898,535 0.652,536 0.865,537 1.069,538 1.115,539 0.875,540 1.145,541 3.5,542 0.04,543 1.778,544 0.917,545 0.769,546 0.348,547 0.321,548 0.122,549 0.056,550 0.078,551 5126,552 12980,553 2.246,554 38.2,556 10,557 1,558 1,559 1,564 1.626,565 2.211,566 3.236,567 -0.291,569 1,571 1,574 49.258,575 1.449,576 3.346,577 4.124,578 4.712,579 4.793,580 4.793,581 2.701,582 4.107,583 4.365,584 3.374,585 708.442,586 7.449,587 7553.57,588 1,589 1,590 1,591 1,592 172.974,593 0.863,594 4.366,595 0.146,596 0.004,597 0.054,598 0.033,599 0.032,600 0.016,601 0.016,602 0.008,603 0.004,604 0.006,605 0.319,606 0.83,607 1,609 95.579,610 0.353,611 0.213,612 0.078,613 0.047,614 0.138,615 0.028,616 -0.064,617 -0.072,618 -0.065,619 -0.07,620 -0.084,621 -0.068,622 -0.105,623 -0.235,624 -0.183,625 -0.247,626 -0.131,627 -0.23,628 -0.12,629 -0.166,630 0.005,631 -0.048,632 -0.035,633 -0.012,634 -0.176,635 -0.082,636 0.094,637 0.098,638 0.005,639 0.127,640 -0.018,641 -0.003,642 -0.039,643 -0.026,644 0.027,645 -0.034,646 0.224,647 0.441,648 -0.029,649 0.154,650 0.026,651 0.052,652 -0.071,653 0.035,654 -0.156,655 -0.074,656 -0.146,657 -0.117,658 0.797,659 1.256,660 0.952,661 16.653,662 1.001,663 1.122,664 2.667,665 7.112,666 0.708,667 3.219,668 3.526,669 3.807,670 4.078,671 4.22,672 4.29,673 4.443,674 4.564,675 4.564,676 4.625,677 5.633,678 0.683,679 275.34,680 3.219,681 4.745,682 5.595,683 6.463,684 7.326,685 8.199,686 9.067,687 9.943,688 10.815,689 11.692,690 14.7,698 2,700 3,705 2,706 10,707 3,708 1,711 3,712 1,713 21,732 34,734 21,735 2,736 24,738 37,739 16,740 15,741 4,742 8,745 4,746 5,759 15,760 1,774 1,775 1,778 13,779 3,780 1,781 5,787 5,792 0.75,800 1,808 2,809 2,812 1,835 3,843 21,851 1,864 1,874 9.5,875 6.133,876 4.556,877 1.948,878 3.946,879 1.554,880 1.061,881 2.928,882 11.065,883 3.57,884 4.22,885 4.856,886 5.483,887 5.935,888 6.278,889 6.767,890 7.231,891 7.47,892 7.832,893 1,894 28,895 7.683,897 3.262,898 7.563,899 14.832,901 12.244,903 2.063,904 43.333,905 0.001,908 141.253,909 109.856,910 68.306,915 109.856,916 141.253,917 68.306,919 2.106,920 84.857,921 61.638,922 39.188,923 13.915,924 117.711,926 141.253,927 178.162,931 141.253,935 32.349,936 95.946,937 49.867,939 141.253,940 68.306,941 109.856,944 141.253,945 15.951,946 95.681,947 16.663,948 49.867,949 141.253,950 68.306,951 109.856,953 0.576,954 0.334,955 0.185,956 0.092,957 18,958 6,959 0.081,960 3,961 1,962 1.1,963 3.562,964 163.624,965 0.1,966 20,967 88.239,973 12.155,974 5.058,975 2.404,976 2.098,977 49.867,978 20.108,979 12.486,980 2.945,983 3.122,984 1.851,985 16.663,986 319.415,987 34.5,998 34.043,999 38.152,1000 0.285,1001 0.658,1002 0.811,1003 0.926,1004 0.942,1005 0.942,1006 4.764,1007 1.025,1008 5.549,1009 2.979,1010 4.205,1011 4.905,1012 0.434,1013 6.319,1014 4.162,1015 5.973,1016 1,1017 7.071,1018 2.359,1019 3.611,1020 4.559,1022 7.081,1023 3.546,1024 7.27,1025 0.698,1026 8.69,1027 2.136,1028 5.753,1029 7.157,1030 0.138,1031 10.176,1032 5.668,1033 8.607,1034 0.394,1035 10.368,1036 1.691,1037 6.043,1038 7.729,1040 11.794,1041 5.932,1042 9.976,1043 -0.109,1044 12.084,1045 0.981,1046 7.576,1047 9.687,1048 0.039,1049 14.345,1050 7.45,1051 11.369,1052 -0.651,1053 13.827,1054 -0.288,1055 8.274,1056 10.699,1058 16.308,1059 8.121,1060 12.78,1061 -0.897,1062 15.588,1063 -1.743,1064 9.55,1065 12.381,1066 0.011,1067 18.667,1068 9.384,1069 3.027,1070 -0.946,1071 17.363,1072 -2.251,1073 10.445,1074 13.615,1076 20.781,1077 10.253,1078 2.784,1079 9.639,1080 19.147,1081 -2.347,1082 11.609,1083 15.173,1084 0.003,1085 23.067,1086 11.402,1087 2.533,1088 8.731,1089 20.939,1090 4.392,1091 12.6,1092 16.521,1094 25.25,1095 12.37,1096 2.134,1097 7.53,1098 22.736,1099 3.856,1100 13.716,1101 18.023,1102 0.001,1103 27.509,1104 13.469,1105 1.534,1106 6.089,1107 24.538,1108 3.446,1109 14.755,1110 19.429,1112 29.725,1113 14.487,1114 1.495,1115 4.277,1116 26.344,1117 2.97,1118 15.852,1119 20.91,1121 31.976,1122 15.567,1123 1.291,1124 3.745,1125 28.154,1126 2.301,1127 16.915,1128 22.346,1130 34.209,1131 16.611,1132 4697,1133 7599,1134 16.989,1135 24.074,1136 36.24,1137 35.803,1138 35.705,1139 35.836,1140 35.832,1141 51.174,1142 1.043,1143 100.312,1144 35.066,1145 5.231,1146 5.053,1147 6.108,1148 5.033,1149 5.027,1150 7.392,1151 1.043,1152 16.128,1153 4.974,1155 1.51,1156 1.492,1157 1.488,1158 1.493,1159 1.493,1160 2.132,1161 0.043,1162 4.18,1163 1.461,1164 4.12,1165 4.163,1166 4.083,1167 4.013,1168 5.144,1169 4.024,1170 3.947,1171 3.998,1172 3.89,1173 3.856,1174 5.035,1175 3.853,1176 3.771,1177 3.829,1178 3.723,1179 3.562,1180 4.736,1181 3.6,1182 3.314,1183 3.384,1184 3.234,1185 3.129,1186 4.331,1187 3.144,1188 3.039,1189 3.106,1190 2.908,1191 2.915,1192 3.811,1193 2.905,1194 2.909,1195 2.98,1196 2.789,1197 2.748,1198 3.757,1199 2.753,1200 2.854,1201 2.925,1202 2.687,1203 2.735,1204 3.674,1205 2.715,1206 2.485,1207 2.582,1208 2.332,1209 2.268,1210 3.428,1211 2.264,1212 0.186,1213 0.127,1214 0.263,1215 0.167,1216 0.126,1217 4.47,1218 0.183,1219 3.053,1220 0.022,1221 6.306,1222 0.402,1223 4.009,1224 0.124,1225 3.027,1226 4.392,1227 0.522,1228 9.639,1229 2.974,1230 1.953,1231 1.931,1232 2.047,1233 2.031,1234 1.187,1235 2.036,1236 1.911,1237 1.881,1238 2.022,1239 2.004,1240 1.152,1241 2.012,1242 1.46,1243 1.401,1244 1.62,1245 1.701,1246 0.761,1247 1.676,1248 1.312,1249 1.23,1250 1.465,1251 1.643,1252 0.49,1253 1.593,1254 1.222,1255 1.166,1256 1.352,1257 1.426,1258 0.406,1259 1.395,1260 0.886,1261 0.821,1262 1.181,1263 1.073,1264 0.218,1265 1.107,1266 0.855,1267 0.785,1268 1.101,1269 1.065,1270 0.139,1271 1.091,1272 0.784,1273 0.695,1274 0.996,1275 1.062,1277 1.064,1278 3.892,1280 5.198,1281 3.045,1282 6.691,1283 5.283,1284 8.265,1285 7.273,1286 9.882,1294 0.724,1305 23.214,1306 49.258,1307 113.754,1308 140.219,1309 160.219,1310 162.974,1311 162.974,1312 19.905,1313 7.119,1314 59.39,1315 59.39,1316 22,1317 12.231,1318 4.459,1319 3.524,1320 28.192,1321 71,1322 65,1323 0.195,1324 142.299,1325 223.56,1326 338.97,1327 11728,1329 14.071,1330 0.67,1331 0.537,1332 14.071,1333 11.269,1334 10.382,1335 0.433,1336 0.282,1337 6.675,1338 10.017,1339 6.545,1340 5.444,1341 10.382,1342 6.759,1343 9.203,1344 0.279,1345 0.15,1346 9.203,1347 4.959,1348 7.97,1349 0.181,1350 0.079,1351 7.97,1352 3.462,1353 6.817,1354 0.118,1355 0.041,1356 6.817,1357 2.38,1358 5.099,1359 0.076,1360 0.022,1361 5.099,1362 1.504,1363 0.307,1364 64.768,1365 0.243,1366 21.045,1367 0.53,1368 114,1369 306.913,1370 122.687,1371 308.238,1372 436.31,1373 290,1374 134,1375 342.558,1376 144.463,1377 348.256,1378 500.37,1379 327,1380 5.5}
{0 CHEMBL1682346,1 1.481,2 9.5,3 2.702,4 7.299,5 87.602,6 8.066,7 0.84,8 3.729,9 3.865,10 3.378,11 3.289,12 4.92,13 3.287,14 4.184,15 4.342,16 3.717,17 3.677,18 5.299,19 3.657,20 4.367,21 4.568,22 3.645,23 3.722,24 5.437,25 3.659,26 4.414,27 4.662,28 3.511,29 3.611,30 5.404,31 3.534,32 4.232,33 4.482,34 3.41,35 3.438,36 5.241,37 3.383,38 4.084,39 4.317,40 3.339,41 3.322,42 5.184,43 3.276,44 3.975,45 4.224,46 3.162,47 3.193,48 5.05,49 3.126,50 3.773,51 4.005,52 2.866,53 3.114,54 4.683,55 3.011,56 0.109,57 0.62,58 6.431,59 2.74,60 9.942,61 3.474,62 0.109,63 0.943,64 10.858,65 4.532,66 9.57,67 5.932,68 0.139,69 1.052,70 14.665,71 5.625,72 20.758,73 7.641,74 0.194,75 1.039,76 17.541,77 5.64,78 24.807,79 8.03,80 0.171,81 0.875,82 14.76,83 4.522,84 19.882,85 6.487,86 0.193,87 0.78,88 12.084,89 3.862,90 21.554,91 5.426,92 0.269,93 0.686,94 11.284,95 3.601,96 22.073,97 5.045,98 0.097,99 0.534,100 8.867,101 3.368,102 10.454,103 4.651,104 2,105 35,106 0.263,107 0.626,108 0.747,109 0.846,110 0.859,111 0.859,112 3.147,113 0.837,114 -3.8,115 -3.76,116 -3.57,119 44.4,125 1,142 8,143 3,146 2,151 1,153 1,163 1,164 1,165 1,166 2,168 1,172 10,174 1,175 4,179 1,180 2,182 1,183 10,185 1,188 9,190 1,191 1,193 3,196 5,198 1,200 12,205 4,210 2,213 9,218 1,221 1,223 1,224 1,225 3,227 1,228 2,233 4,237 2,238 1,240 2,241 4,246 8,258 9,263 1,268 2,271 6,273 1,275 614,276 15.24,277 15.24,278 15.24,279 15.24,280 15.24,281 12.776,282 11.544,283 9.033,284 15.43,285 12.376,286 12.376,287 12.376,288 12.376,289 12.376,290 8.751,291 16.058,292 4.343,293 12.682,294 3.689,295 1.647,296 0.965,297 0.41,298 0.333,299 0.333,300 3.848,303 1,304 1,305 1,306 469,307 2.121,310 104.757,311 124.524,314 85.729,318 1.636,319 11.762,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47,331 209,332 4.56,333 3.131,334 6.522,335 4.086,336 3.107,337 4.511,338 0.522,339 10.235,340 3.042,341 4.23,342 2.959,343 6.134,344 3.811,345 2.846,346 3.876,348 9.05,349 2.746,350 3.913,351 2.69,352 5.546,353 3.539,354 2.551,355 3.45,357 7.549,358 2.521,359 3.577,360 2.213,361 5.053,362 3.13,363 2.156,364 3.009,366 6.105,367 2.094,368 3.297,369 1.939,370 4.949,371 2.825,372 1.869,373 2.634,375 5.409,376 1.783,377 2.939,378 1.563,379 4.287,380 2.483,381 1.496,382 2.123,384 3.94,385 1.476,386 2.78,387 1.35,388 3.996,389 2.292,390 1.317,391 1.906,393 3.16,394 1.281,395 2.604,396 1.17,397 3.576,398 2.11,399 1.139,400 1.651,402 2.932,403 1.103,404 2.5,405 1,406 3.279,407 2,408 1,409 1.5,411 2.136,412 1,413 2.206,414 0.757,415 3.247,416 1.711,417 0.734,418 1.069,420 1.738,421 0.716,422 2.082,423 0.632,424 3.216,425 1.594,426 0.61,427 0.889,429 1.488,430 0.599,431 1.185,432 0.111,433 2.774,434 0.87,435 -0.102,436 -0.127,438 -0.269,439 -0.098,440 0.937,441 -0.327,442 2.484,443 0.536,444 -0.433,445 -0.563,447 -1.039,448 -0.417,449 0.652,450 -0.746,451 2.171,452 0.18,453 -0.809,454 -1.104,456 -2.168,457 -0.799,458 0.5,459 -0.828,460 2,461 0.056,462 -0.912,463 -1.247,465 -2.347,466 -0.882,467 10.4,468 0.473,469 0.465,470 0.021,471 32.5,472 1.477,473 18.5,474 0.841,475 14,476 0.636,477 12.908,478 0.587,479 22,480 0.611,481 21.101,482 0.959,483 6.643,484 0.302,485 4.15,486 0.189,487 0.038,489 0.327,493 0.747,494 0.882,495 0.722,496 0.811,497 0.996,498 0.771,499 0.828,500 1.131,501 0.813,502 1.006,503 0.692,504 0.926,505 0.965,506 1.187,507 1.06,508 1.183,509 0.948,510 1.146,511 1.215,512 1.141,513 1.077,514 1.054,515 1.048,516 1.045,517 1.267,518 1.108,519 0.951,520 0.905,521 1.013,522 0.883,523 1.074,524 1.036,525 0.979,526 0.971,527 0.961,528 0.962,529 0.87,530 0.563,531 1.026,532 0.806,533 1.059,534 0.915,535 0.943,536 0.792,537 1.1,538 0.979,539 0.874,540 1.048,541 4,542 0.073,543 2.222,544 1.264,545 0.809,546 0.521,547 0.347,548 0.194,549 0.056,550 0.118,551 5655,552 14700,553 2.205,554 38.9,556 10,557 1,559 3,564 1.64,565 2.129,566 3.241,567 1.069,568 1,569 1,571 1,574 53.305,575 1.481,576 3.523,577 4.205,578 4.76,579 4.837,580 4.837,581 2.698,582 4.187,583 4.432,584 3.402,585 785.953,586 7.588,587 8673.32,588 1,589 1,590 1,591 1,592 186.117,593 1.143,594 4.418,595 0.16,596 0.006,597 0.063,598 0.041,599 0.031,600 0.022,601 0.016,602 0.011,603 0.004,604 0.009,605 0.363,606 0.67,607 1,608 0.405,609 101.742,610 0.199,611 0.266,612 0.051,613 0.118,614 -0.096,615 0.072,616 0.043,617 -0.051,618 0.003,619 -0.049,620 0.02,621 -0.033,622 -0.08,623 -0.185,624 -0.158,625 -0.211,626 -0.041,627 -0.2,628 -0.174,629 -0.188,630 -0.067,631 -0.094,632 -0.099,633 -0.069,634 -0.163,635 -0.143,636 0.069,637 0.042,638 -0.019,639 0.083,640 0.079,641 -0.027,642 0.008,643 -0.047,644 0.127,645 -0.034,646 0.328,647 0.444,648 -0.011,649 0.119,650 0.076,651 0.023,652 -0.177,653 0.139,654 -0.144,655 0.049,656 -0.144,657 -0.025,658 1.103,659 1.871,660 0.909,661 17.901,662 1.004,663 1.129,664 2.569,665 6.599,666 0.697,667 3.258,668 3.584,669 3.871,670 4.143,671 4.304,672 4.369,673 4.522,674 4.663,675 4.691,676 4.718,677 5.767,678 0.673,679 290.36,680 3.258,681 4.796,682 5.652,683 6.529,684 7.401,685 8.282,686 9.159,687 10.044,688 10.924,689 11.811,690 16.7,694 1,698 2,700 3,705 2,706 9,707 3,708 1,711 4,712 1,713 21,724 1,732 36,734 21,735 2,736 25,738 39,739 16,740 15,741 4,742 8,745 4,746 5,759 15,760 1,774 1,775 1,778 14,779 4,780 3,781 6,787 6,792 0.75,800 1,808 2,809 2,812 1,835 3,843 22,844 1,851 1,864 1,874 10.333,875 6.383,876 4.75,877 1.994,878 3.955,879 1.546,880 1.065,881 3.13,882 11.197,883 3.597,884 4.263,885 4.907,886 5.538,887 6.008,888 6.352,889 6.843,890 7.319,891 7.595,892 7.911,893 1,894 31,895 8.042,897 3.434,898 7.636,899 15.4,901 12.722,903 2.136,904 47,908 129.482,909 103.136,910 101.203,915 103.136,916 129.482,917 101.203,919 2.106,920 117.755,921 49.867,922 34.612,923 11.771,924 117.711,926 129.482,927 204.339,931 129.482,935 27.774,936 126.699,937 49.867,939 129.482,940 101.203,941 103.136,944 129.482,945 18.279,946 86.634,947 16.663,948 82.764,949 129.482,950 101.203,951 103.136,953 0.582,954 0.34,955 0.185,956 0.095,957 19,958 7,959 0.077,960 3,961 1,962 1.1,963 3.599,964 175.739,965 0.1,966 20,967 94.107,973 13.044,974 5.279,975 2.502,976 1.744,977 82.764,978 17.98,979 12.558,980 2.78,983 3.542,984 1.827,985 49.56,986 333.821,987 35.5,998 36.145,999 40.651,1000 0.286,1001 0.681,1002 0.813,1003 0.921,1004 0.936,1005 0.936,1006 4.806,1007 1.139,1008 5.624,1009 3.16,1010 4.263,1011 4.949,1012 0.434,1013 6.418,1014 4.214,1015 6.028,1016 1,1017 7.166,1018 2.932,1019 3.761,1020 4.691,1022 7.248,1023 3.677,1024 7.336,1025 0.734,1026 8.806,1027 2.136,1028 5.838,1029 7.221,1030 0.138,1031 10.348,1032 5.742,1033 8.685,1034 0.61,1035 10.505,1036 1.738,1037 6.196,1038 7.861,1040 12.034,1041 6.065,1042 10.067,1043 -0.102,1044 12.243,1045 1.488,1046 7.699,1047 9.787,1048 0.039,1049 14.615,1050 7.556,1051 11.472,1052 -0.433,1053 14.007,1054 -0.269,1055 8.453,1056 10.858,1058 16.651,1059 8.277,1060 12.896,1061 -0.809,1062 15.791,1063 -1.039,1064 9.721,1065 12.529,1066 0.011,1067 19.053,1068 9.531,1069 3.107,1070 -0.912,1071 17.589,1072 -2.168,1073 10.663,1074 13.815,1076 21.24,1077 10.442,1078 2.846,1079 10.235,1080 19.398,1081 -2.347,1082 11.833,1083 15.378,1084 0.003,1085 23.577,1086 11.596,1087 2.551,1088 9.05,1089 21.217,1090 4.511,1091 12.864,1092 16.771,1094 25.83,1095 12.599,1096 2.156,1097 7.549,1098 23.042,1099 3.876,1100 13.995,1101 18.29,1102 0.001,1103 28.146,1104 13.712,1105 1.869,1106 6.105,1107 24.874,1108 3.45,1109 15.068,1110 19.735,1112 30.43,1113 14.76,1114 1.496,1115 5.409,1116 26.711,1117 3.009,1118 16.187,1119 21.238,1121 32.741,1122 15.859,1123 1.317,1124 3.94,1125 28.551,1126 2.634,1127 17.281,1128 22.71,1130 35.04,1131 16.93,1132 5231,1133 8564,1134 17.394,1135 25.08,1136 38.135,1137 37.608,1138 38.008,1139 37.688,1140 37.648,1141 53.238,1142 1.043,1143 107.483,1144 36.724,1145 5.321,1146 5.131,1147 6.324,1148 5.11,1149 5.107,1150 7.511,1151 1.043,1152 16.761,1153 5.042,1154 5.858,1155 1.525,1156 1.504,1157 1.52,1158 1.508,1159 1.506,1160 2.13,1161 0.042,1162 4.299,1163 1.469,1164 4.122,1165 4.165,1166 4.091,1167 4.013,1168 5.249,1169 4.026,1170 3.948,1171 4,1172 3.893,1173 3.856,1174 5.086,1175 3.853,1176 3.774,1177 3.832,1178 3.726,1179 3.565,1180 4.746,1181 3.604,1182 3.374,1183 3.449,1184 3.29,1185 3.168,1186 4.727,1187 3.189,1188 3.065,1189 3.137,1190 2.937,1191 2.931,1192 4.283,1193 2.924,1194 2.897,1195 2.991,1196 2.786,1197 2.735,1198 3.803,1199 2.728,1200 2.854,1201 2.925,1202 2.687,1203 2.721,1204 3.674,1205 2.715,1206 2.687,1207 2.815,1208 2.456,1209 2.349,1210 3.662,1211 2.362,1212 0.182,1213 0.125,1214 0.261,1215 0.163,1216 0.124,1217 4.56,1218 0.18,1219 3.131,1220 0.021,1221 6.522,1222 0.409,1223 4.086,1224 0.122,1225 3.107,1226 4.511,1227 0.522,1228 10.235,1229 3.042,1230 1.946,1231 1.925,1232 2.046,1233 2.023,1234 1.181,1235 2.031,1236 1.911,1237 1.881,1238 2.01,1239 1.996,1240 1.146,1241 2.003,1242 1.459,1243 1.4,1244 1.618,1245 1.748,1246 0.759,1247 1.697,1248 1.394,1249 1.308,1250 1.546,1251 1.695,1252 0.492,1253 1.67,1254 1.212,1255 1.153,1256 1.335,1257 1.438,1258 0.415,1259 1.398,1260 0.886,1261 0.821,1262 1.181,1263 1.112,1264 0.218,1265 1.107,1266 0.831,1267 0.761,1268 1.059,1269 1.07,1270 0.072,1271 1.101,1272 0.771,1273 0.687,1274 1.039,1275 1.062,1276 0.016,1277 1.065,1278 3.932,1280 5.252,1281 3.045,1282 6.758,1283 5.352,1284 8.345,1285 7.391,1286 9.975,1292 5.871,1294 0.698,1305 24.236,1306 53.305,1307 126.833,1308 151.362,1309 171.362,1310 174.117,1311 174.117,1312 23.409,1313 7.242,1314 85.41,1315 85.41,1316 22,1317 12.343,1318 4.459,1319 3.524,1320 30.076,1321 76,1322 72,1323 0.194,1324 149.094,1325 234.56,1326 355.548,1327 13554,1329 14.941,1330 0.679,1331 0.535,1332 14.941,1333 11.769,1334 10.793,1335 0.432,1336 0.279,1337 6.882,1338 10.399,1339 6.753,1340 5.614,1341 10.793,1342 6.975,1343 9.731,1344 0.278,1345 0.147,1346 9.731,1347 5.156,1348 8.452,1349 0.18,1350 0.077,1351 8.452,1352 3.605,1353 7.127,1354 0.115,1355 0.04,1356 7.127,1357 2.468,1358 5.489,1359 0.075,1360 0.022,1361 5.489,1362 1.585,1363 0.305,1364 67.475,1365 0.24,1366 21.857,1367 0.529,1368 120,1369 324.226,1370 130.102,1371 326.55,1372 461.86,1373 306,1374 142,1375 364.756,1376 153.823,1377 370.396,1378 534.41,1379 348,1380 5.2}
{0 CHEMBL1682357,1 1.489,2 9.381,3 3.719,4 13.834,5 81.842,6 8.098,7 0.875,8 3.666,9 3.769,10 3.327,11 3.289,12 4.837,13 3.276,14 4.126,15 4.256,16 3.652,17 3.667,18 5.217,19 3.638,20 4.306,21 4.488,22 3.541,23 3.692,24 5.307,25 3.616,26 4.333,27 4.556,28 3.419,29 3.568,30 5.293,31 3.485,32 4.118,33 4.337,34 3.321,35 3.377,36 5.119,37 3.321,38 3.967,39 4.152,40 3.25,41 3.241,42 5.052,43 3.204,44 3.846,45 4.061,46 3.017,47 3.122,48 4.842,49 3.053,50 3.615,51 3.81,52 2.778,53 3.049,54 4.533,55 2.94,56 0.089,57 0.489,58 5.769,59 2.827,60 7.65,61 3.443,62 0.028,63 0.766,64 9.803,65 4.683,66 7.26,67 5.748,68 0.091,69 0.894,70 13.739,71 5.96,72 15.841,73 7.561,74 0.171,75 0.894,76 16.417,77 6.331,78 21.587,79 8.067,80 0.115,81 0.734,82 12.958,83 4.906,84 16.985,85 6.302,86 0.215,87 0.622,88 10.632,89 3.953,90 18.48,91 4.785,92 0.174,93 0.575,94 9.835,95 3.626,96 15.247,97 4.531,98 0.045,99 0.433,100 7.02,101 3.227,102 7.267,103 4.257,105 33,106 0.267,107 0.577,108 0.717,109 0.846,110 0.861,111 0.861,112 3.103,113 0.852,114 -4.12,115 -4.06,116 -3.84,119 50,121 1,142 9,143 3,145 1,146 1,152 2,166 1,168 1,172 11,175 5,180 2,183 14,188 7,193 2,196 10,200 9,205 1,208 6,213 6,221 5,224 1,225 4,228 1,230 1,233 7,237 1,238 1,241 1,246 8,250 1,255 1,258 9,263 1,268 1,271 6,275 537,276 14.74,277 14.74,278 14.74,279 14.74,280 14.74,281 12.321,282 7.276,283 8.859,284 14.842,285 11.909,286 11.909,287 11.909,288 11.909,289 11.909,290 8.36,291 10.294,292 4.271,293 12.063,294 3.598,295 1.875,296 1.097,297 0.375,298 0.294,299 0.294,300 3.808,303 1,304 1,305 1,306 446,307 2,310 99.611,311 118.01,314 81.465,318 1.601,319 9.794,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 44.5,331 197,332 4.47,333 3.079,334 6.306,335 4.018,336 3.027,337 4.392,338 0.68,339 9.639,340 3.001,341 4.197,342 2.927,343 6.033,344 3.768,345 2.784,346 3.856,348 8.731,349 2.737,350 3.906,351 2.644,352 5.542,353 3.529,354 2.533,355 3.446,357 7.53,358 2.523,359 3.551,360 2.219,361 5.048,362 3.115,363 2.134,364 2.97,366 6.089,367 2.091,368 3.034,369 1.572,370 4.407,371 2.518,372 1.534,373 2.301,375 4.277,376 1.509,377 2.936,378 1.534,379 4.194,380 2.492,381 1.495,382 2.118,384 3.745,385 1.489,386 2.751,387 1.343,388 3.578,389 2.276,390 1.291,391 1.863,393 2.979,394 1.27,395 2.512,396 1.042,397 3.432,398 2,399 1.025,400 1.518,402 2.359,403 1,404 2.5,405 1,406 3.274,407 2,408 1,409 1.5,411 2.136,412 0.997,413 2.186,414 0.707,415 3.247,416 1.686,417 0.698,418 1.034,420 1.691,421 0.689,422 1.889,423 0.399,424 3.031,425 1.367,426 0.394,427 0.588,429 0.981,430 0.383,431 1.18,432 0.128,433 2.761,434 0.886,435 -0.109,436 -0.136,438 -0.288,439 -0.108,440 0.79,441 -0.611,442 2.466,443 0.344,444 -0.651,445 -0.897,447 -1.743,448 -0.647,449 0.578,450 -0.766,451 2.112,452 0.093,453 -0.897,454 -1.241,456 -2.251,457 -0.885,458 0.5,459 -0.92,460 1.611,461 0.042,462 -0.946,463 -1.368,465 -2.347,466 -0.936,467 10.033,468 0.478,469 0.376,470 0.018,471 31.25,472 1.488,473 18,474 0.857,475 13.25,476 0.631,477 12.081,478 0.575,479 20.567,480 0.605,481 19.094,482 0.909,483 6.383,484 0.304,485 3.999,486 0.19,489 0.299,493 0.587,494 0.844,495 0.682,496 0.825,497 0.649,498 0.779,499 0.848,500 1.167,501 0.845,502 1.066,503 0.849,504 0.974,505 0.969,506 1.105,507 1.099,508 1.165,509 1,510 1.153,511 1.336,512 1.006,513 1.05,514 0.997,515 1.172,516 0.997,517 1.251,518 0.993,519 0.91,520 0.941,521 1.115,522 0.888,523 1.517,524 0.996,525 1.044,526 0.954,527 1.266,528 0.951,529 1.36,530 0.744,531 1.082,532 0.825,533 1.21,534 0.907,535 0.603,536 0.97,537 1.065,538 1.105,539 0.838,540 1.148,541 3.5,542 0.04,543 1.778,544 0.917,545 0.769,546 0.348,547 0.321,548 0.122,549 0.056,550 0.078,551 5126,552 12986,553 2.246,554 38.2,556 9,558 1,559 1,560 2,564 1.626,565 2.211,566 3.236,567 -0.338,569 1,571 1,574 50.626,575 1.489,576 3.213,577 3.991,578 4.712,579 4.793,580 4.793,581 2.701,582 4.107,583 4.365,584 3.374,585 708.442,586 7.449,587 7553.57,588 1,589 1,590 1,591 1,592 172.974,593 0.863,594 4.366,595 0.146,596 0.004,597 0.054,598 0.033,599 0.032,600 0.016,601 0.016,602 0.008,603 0.004,604 0.006,605 0.319,606 0.83,607 1,609 95.579,610 0.271,611 0.19,612 0.07,613 0.075,614 0.13,615 0.047,616 -0.041,617 -0.173,618 -0.044,619 -0.144,620 -0.063,621 -0.102,622 -0.1,623 -0.149,624 -0.187,625 -0.203,626 -0.127,627 -0.204,628 -0.132,629 -0.076,630 -0.01,632 -0.067,633 0.007,634 -0.064,635 -0.028,636 0.12,637 0.038,638 0.037,639 0.097,640 0.112,641 -0.011,642 -0.033,643 -0.007,644 0.058,645 -0.038,646 -0.068,647 0.262,648 -0.059,649 0.133,650 -0.046,651 0.048,652 -0.054,653 -0.069,654 -0.154,655 -0.096,656 -0.137,657 -0.135,658 0.885,659 1.968,660 0.952,661 16.653,662 1.001,663 1.111,664 2.886,665 8.328,666 0.714,667 3.219,668 3.526,669 3.807,670 4.078,671 4.22,672 4.29,673 4.443,674 4.564,675 4.564,676 4.625,677 5.633,678 0.689,679 275.33,680 3.219,681 4.745,682 5.595,683 6.463,684 7.326,685 8.199,686 9.067,687 9.943,688 10.815,689 11.692,690 8.8,698 1,700 2,705 2,706 10,707 2,708 1,709 1,711 4,713 21,732 34,734 21,735 2,736 24,738 37,739 17,740 16,741 4,742 8,745 4,746 5,757 1,759 16,760 1,775 1,778 13,779 3,780 1,781 4,786 1,787 3,792 0.75,793 1,800 1,808 2,809 2,812 1,835 3,843 21,851 1,867 2.9,872 1,874 9.5,875 6.15,876 4.556,877 1.985,878 3.946,879 1.554,880 1.059,881 2.964,882 11.065,883 3.57,884 4.22,885 4.856,886 5.483,887 5.935,888 6.278,889 6.767,890 7.231,891 7.47,892 7.832,893 1,894 28,895 7.693,897 3.28,898 7.571,899 14.857,901 12.328,903 2.071,904 43.5,905 0.001,908 141.253,909 116.162,910 52.923,912 9.734,915 116.162,916 150.987,917 52.923,919 2.535,920 85.286,921 48.031,922 47.145,923 7.593,924 129.482,926 141.253,927 169.085,928 9.734,931 141.253,932 9.734,935 31.002,936 101.823,937 36.26,939 141.253,940 62.657,941 116.162,944 141.253,945 21.828,946 94.334,947 16.663,948 45.994,949 141.253,950 62.657,951 116.162,953 0.576,954 0.334,955 0.185,956 0.092,957 18,958 6,959 0.081,960 3,961 1,962 1.1,963 3.562,964 163.624,965 0.1,966 20,967 88.239,973 12.215,974 5.095,975 2.426,976 2.08,977 45.994,978 20.103,979 8.183,980 2.94,981 5.468,983 3.95,985 16.663,986 320.072,987 34.5,998 34.051,999 37.78,1000 0.293,1001 0.631,1002 0.784,1003 0.926,1004 0.942,1005 0.942,1006 4.764,1007 1.025,1008 5.549,1009 2.979,1010 4.205,1011 4.905,1012 0.655,1013 6.319,1014 4.181,1015 5.973,1016 1,1017 7.071,1018 2.359,1019 3.611,1020 4.559,1022 7.081,1023 3.578,1024 7.27,1025 0.698,1026 8.69,1027 2.136,1028 5.753,1029 7.157,1030 0.356,1031 10.176,1032 5.707,1033 8.607,1034 0.394,1035 10.368,1036 1.691,1037 6.043,1038 7.729,1040 11.794,1041 5.986,1042 9.976,1043 -0.109,1044 12.084,1045 0.981,1046 7.576,1047 9.687,1048 0.18,1049 14.345,1050 7.511,1051 11.369,1052 -0.651,1053 13.827,1054 -0.288,1055 8.274,1056 10.699,1058 16.308,1059 8.196,1060 12.78,1061 -0.897,1062 15.588,1063 -1.743,1064 9.55,1065 12.381,1066 0.087,1067 18.667,1068 9.466,1069 3.027,1070 -0.946,1071 17.363,1072 -2.251,1073 10.445,1074 13.615,1076 20.781,1077 10.348,1078 2.784,1079 9.639,1080 19.147,1081 -2.347,1082 11.609,1083 15.173,1084 0.041,1085 23.067,1086 11.505,1087 2.533,1088 8.731,1089 20.939,1090 4.392,1091 12.6,1092 16.521,1094 25.25,1095 12.484,1096 2.134,1097 7.53,1098 22.736,1099 3.856,1100 13.716,1101 18.023,1102 0.019,1103 27.509,1104 13.592,1105 1.534,1106 6.089,1107 24.538,1108 3.446,1109 14.755,1110 19.429,1112 29.725,1113 14.62,1114 1.495,1115 4.277,1116 26.344,1117 2.97,1118 15.852,1119 20.91,1120 0.009,1121 31.976,1122 15.709,1123 1.291,1124 3.745,1125 28.154,1126 2.301,1127 16.915,1128 22.346,1130 34.209,1131 16.763,1132 4697,1133 7603,1134 16.989,1135 24.279,1136 36.24,1137 35.826,1138 35.705,1139 35.812,1140 35.832,1141 51.174,1142 1.36,1143 100.312,1144 35.376,1145 5.231,1146 5.079,1147 6.108,1148 5.037,1149 5.027,1150 7.392,1151 1.36,1152 16.128,1153 5.001,1155 1.51,1156 1.493,1157 1.488,1158 1.492,1159 1.493,1160 2.132,1161 0.057,1162 4.18,1163 1.474,1164 4.119,1165 4.154,1166 4.083,1167 4.017,1168 5.23,1169 4.028,1170 3.94,1171 3.972,1172 3.881,1173 3.865,1174 5.067,1175 3.861,1176 3.77,1177 3.796,1178 3.724,1179 3.601,1180 4.742,1181 3.628,1182 3.306,1183 3.37,1184 3.224,1185 3.15,1186 4.33,1187 3.159,1188 3.046,1189 3.102,1190 2.915,1191 2.911,1192 3.832,1193 2.904,1194 2.911,1195 2.978,1196 2.791,1197 2.753,1198 3.765,1199 2.756,1200 2.854,1201 2.925,1202 2.687,1203 2.735,1204 3.674,1205 2.715,1206 2.483,1207 2.567,1208 2.325,1209 2.284,1210 3.466,1211 2.279,1212 0.186,1213 0.128,1214 0.263,1215 0.167,1216 0.126,1217 4.47,1218 0.183,1219 3.079,1220 0.028,1221 6.306,1222 0.402,1223 4.018,1224 0.125,1225 3.027,1226 4.392,1227 0.68,1228 9.639,1229 3.001,1230 1.953,1231 1.934,1232 2.051,1233 2.026,1234 1.197,1235 2.031,1236 1.914,1237 1.886,1238 2.021,1239 1.995,1240 1.155,1241 2.009,1242 1.491,1243 1.455,1244 1.646,1245 1.655,1246 0.8,1247 1.631,1248 1.312,1249 1.231,1250 1.465,1251 1.604,1252 0.48,1253 1.588,1254 1.208,1255 1.187,1256 1.342,1257 1.463,1258 0.405,1259 1.401,1260 0.886,1261 0.821,1262 1.181,1263 1.082,1264 0.218,1265 1.107,1266 0.862,1267 0.799,1268 1.105,1269 1.062,1270 0.154,1271 1.088,1272 0.775,1273 0.718,1274 0.997,1275 1.053,1277 1.054,1278 3.892,1280 5.198,1281 3.045,1282 6.691,1283 5.283,1284 8.265,1285 7.273,1286 9.882,1294 0.776,1305 23.413,1306 50.626,1307 109.225,1308 135.69,1309 160.219,1310 162.974,1311 162.974,1312 20.996,1313 7.119,1314 54.71,1315 54.71,1316 22,1317 12.231,1318 4.459,1319 3.524,1320 28.192,1321 71,1322 65,1323 0.195,1324 142.299,1325 227.65,1326 338.97,1327 11728,1329 14.071,1330 0.67,1331 0.537,1332 14.071,1333 11.283,1334 10.382,1335 0.433,1336 0.284,1337 6.743,1338 10.052,1339 6.607,1340 5.486,1341 10.382,1342 6.814,1343 9.203,1344 0.279,1345 0.152,1346 9.203,1347 5.017,1348 7.97,1349 0.181,1350 0.08,1351 7.97,1352 3.512,1353 6.817,1354 0.118,1355 0.042,1356 6.817,1357 2.432,1358 5.099,1359 0.076,1360 0.023,1361 5.099,1362 1.544,1363 0.307,1364 64.609,1365 0.243,1366 21.045,1367 0.53,1368 114,1369 313.359,1370 122.372,1371 310.142,1372 437.82,1373 292,1374 134,1375 343.122,1376 143.565,1377 346.329,1378 498.34,1379 326,1380 5.1}
{0 CHEMBL1682359,1 1.541,2 7.765,3 3.143,4 9.881,5 66.348,6 7.576,7 0.789,8 3.529,9 3.647,10 3.129,11 3.082,12 4.655,13 3.066,14 4.019,15 4.185,16 3.444,17 3.452,18 5.038,19 3.417,20 4.174,21 4.393,22 3.324,23 3.453,24 5.122,25 3.375,26 4.158,27 4.387,28 3.214,29 3.331,30 5.119,31 3.258,32 3.932,33 4.154,34 2.999,35 3.111,36 4.896,37 3.043,38 3.721,39 3.918,40 2.874,41 2.935,42 4.732,43 2.87,44 3.585,45 3.821,46 2.628,47 2.817,48 4.513,49 2.709,50 3.482,51 3.745,52 2.206,53 2.69,54 4.211,55 2.502,56 0.089,57 0.457,58 6.001,59 2.663,60 7.716,61 3.448,62 0.043,63 0.712,64 10.722,65 4.398,66 8.516,67 5.918,68 0.112,69 0.767,70 13.917,71 5.171,72 16.349,73 7.169,74 0.183,75 0.718,76 14.443,77 4.772,78 20.664,79 6.521,80 0.149,81 0.571,82 11.388,83 3.732,84 16.38,85 5.038,86 0.211,87 0.46,88 9.047,89 3.067,90 15.155,91 4.092,92 0.118,93 0.436,94 7.773,95 2.745,96 11.025,97 3.906,98 0.037,99 0.36,100 7.161,101 2.896,102 7.096,103 4.222,104 4,105 26,106 0.291,107 0.678,108 0.82,109 0.87,110 0.87,111 0.87,112 2.908,113 0.909,114 -3.34,115 -3.32,116 -3.18,119 43.3,120 1,121 2,142 4,143 2,145 1,146 1,152 2,166 1,168 1,172 6,175 5,180 2,183 7,188 7,193 2,196 5,200 8,205 1,208 4,213 3,221 3,224 1,225 1,228 1,230 1,233 5,237 1,241 1,246 4,250 1,255 1,258 2,263 1,268 1,275 298,276 11.886,277 11.886,278 11.886,279 11.886,280 11.886,281 10.219,282 3.638,283 7.151,284 11.989,285 9.374,286 9.374,287 9.374,288 9.374,289 9.374,290 6.843,291 1.471,292 3.329,293 9.53,294 3.366,295 1.309,296 0.558,297 0.292,298 0.292,299 0.292,300 3.588,304 1,305 1,306 289,307 2.121,310 77.301,311 38.527,314 61.84,318 1.308,319 9.047,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 36.5,331 132,332 4.469,333 3.041,334 6.305,335 4.015,336 3.024,337 4.392,339 9.634,340 2.998,341 4.179,342 2.819,343 6.029,344 3.74,345 2.757,346 3.842,348 8.706,349 2.707,350 3.615,351 2.413,352 5.293,353 3.253,354 2.273,355 3.007,357 6.749,358 2.225,359 3.034,360 1.536,361 4.414,362 2.518,363 1.534,364 2.301,366 4.292,367 1.508,368 2.862,369 1.523,370 4.215,371 2.463,372 1.471,373 2.002,375 3.808,376 1.459,377 2.539,378 1.102,379 3.437,380 2.073,381 1.099,382 1.557,384 2.387,385 1.068,386 2.213,387 0.923,388 3.286,389 1.902,390 0.919,391 1.115,393 1.812,394 0.902,395 2.055,396 0.688,397 3.084,398 1.674,399 0.682,400 0.96,402 1.503,403 0.676,404 1.883,405 0.394,406 3,407 1.364,408 0.392,409 0.583,411 0.969,412 0.38,413 0.812,414 -0.261,415 2.498,416 0.562,417 -0.436,418 -0.482,420 -0.732,421 -0.435,422 0.644,423 -0.677,424 2.12,425 0.309,426 -0.683,427 -0.936,429 -1.79,430 -0.677,431 0.564,432 -0.916,433 1.763,434 0.065,435 -0.916,436 -1.354,438 -2.511,439 -0.897,440 0.049,441 -1.294,442 1.557,443 -0.351,444 -1.337,445 -1.598,447 -3.244,448 -1.31,449 -0.092,450 -1.415,451 1.476,452 -0.475,453 -1.458,454 -1.928,456 -4.145,457 -1.438,458 -0.105,459 -1.605,460 1.251,461 -0.636,462 -1.605,463 -2.408,465 -4.688,466 -1.555,467 8.033,468 0.473,469 0.307,470 0.018,471 22.75,472 1.338,473 12,474 0.706,475 10.75,476 0.632,477 10.833,478 0.637,479 17.767,480 0.592,481 12.817,482 0.754,483 4.401,484 0.259,485 3.964,486 0.233,487 0.062,489 0.311,493 0.597,494 0.984,495 0.741,496 0.959,497 0.635,498 0.889,499 0.816,500 1.216,501 0.786,502 1.071,503 0.735,504 0.946,505 0.941,506 1.04,507 0.934,508 1.031,509 0.879,510 0.988,511 1.464,512 0.972,513 1.047,514 0.931,515 1.299,516 0.934,517 1.575,518 0.965,519 1.115,520 0.967,521 1.451,522 0.975,523 1.394,524 1.022,525 1.113,526 0.995,527 1.202,528 1.038,529 0.721,530 0.955,531 1.096,532 1.07,533 0.892,534 1.128,535 0.315,536 1.146,537 1.076,538 1.312,539 0.701,540 1.312,541 3,542 0.02,543 1.778,544 0.729,545 0.743,546 0.372,547 0.171,548 0.106,549 0.064,550 0.04,551 2507,552 6180,553 2.163,554 43.3,555 5,556 4,558 1,559 1,560 2,564 1.566,565 2.082,566 2.977,567 -0.256,569 1,570 1,571 1,574 46.24,575 1.541,576 3.598,577 4.348,578 4.615,579 4.615,580 4.615,581 2.498,582 3.852,583 4.056,584 3.064,585 416.717,586 6.845,587 3696.03,589 1,591 1,592 147.207,593 1.166,594 4.043,595 0.158,596 0.01,597 0.068,598 0.033,599 0.039,600 0.025,601 0.013,602 0.011,603 0.011,604 0.01,605 0.378,606 0.83,607 1,608 0.962,609 70.221,610 0.276,611 0.159,612 0.076,613 0.046,614 0.182,615 0.03,616 -0.006,617 -0.168,618 0.085,619 -0.069,620 0.081,621 0.009,622 -0.058,623 -0.073,624 0.009,625 -0.044,626 0.015,627 -0.01,628 -0.197,629 -0.032,630 -0.043,631 0.024,632 -0.146,633 0.016,634 -0.236,635 -0.013,636 -0.113,637 -0.02,638 -0.233,639 -0.04,640 0.115,641 -0.071,642 -0.117,643 -0.038,644 0.03,645 -0.115,646 0.08,647 0.054,648 -0.148,649 -0.128,650 0.018,651 -0.176,652 0.068,653 -0.27,654 -0.142,655 -0.287,656 -0.081,657 -0.256,658 0.85,659 1.848,660 0.824,661 10.858,662 1.002,663 1.126,664 2.106,665 4.437,666 0.676,667 2.996,668 3.296,669 3.584,670 3.85,671 3.951,672 4.06,673 4.159,674 4.22,675 4.143,676 4.094,677 4.591,678 0.647,679 227.29,680 2.996,681 4.511,682 5.361,683 6.232,684 7.101,685 7.978,686 8.853,687 9.733,688 10.61,689 11.49,690 10,698 1,700 2,705 2,706 5,707 2,708 1,709 1,711 3,713 15,732 30,734 15,735 1,736 19,738 32,739 13,740 10,741 3,742 3,745 3,746 4,751 1,757 2,759 10,760 3,775 1,778 13,779 3,780 1,781 4,786 1,787 3,792 0.667,793 1,800 1,808 2,809 1,812 1,835 2,839 1,843 17,851 2,867 3.3,872 1,874 8.167,875 5.733,876 3.806,877 1.999,878 2.916,879 1.455,880 1.014,881 2.595,882 9.326,883 3.314,884 3.961,885 4.623,886 5.263,887 5.68,888 6.107,889 6.568,890 7.002,891 7.164,892 7.432,893 1,894 22,895 6.233,897 2.605,898 7.578,899 12.07,901 9.844,903 2.078,904 35.333,905 0.003,908 141.253,909 76.955,910 52.923,912 9.734,915 76.955,916 150.987,917 52.923,918 8.825,919 5.069,920 37.905,921 48.031,922 43.96,923 7.593,924 129.482,926 141.253,927 129.878,928 9.734,931 141.253,932 9.734,935 42.361,936 51.256,937 36.26,939 141.253,940 62.657,941 76.955,944 141.253,945 21.177,946 55.778,947 16.663,948 45.994,949 141.253,950 62.657,951 76.955,953 0.568,954 0.336,955 0.189,956 0.091,957 14,958 5,959 0.094,960 3,961 1,962 1.143,963 3.063,964 119.585,965 0.143,966 14,967 69.487,973 10.392,974 4.245,975 1.929,976 2.109,977 45.994,978 9.873,979 8.051,980 2.928,981 5.348,983 2.861,985 16.663,986 280.865,987 26.5,998 30.051,999 33.78,1000 0.314,1001 0.733,1002 0.886,1003 0.941,1004 0.941,1005 0.941,1006 4.508,1007 0.682,1008 5.323,1009 1.812,1010 3.97,1011 4.644,1013 6.111,1014 3.94,1015 5.719,1016 0.392,1017 6.86,1018 1.503,1019 3.434,1020 4.407,1022 6.934,1023 3.395,1024 7.025,1025 -0.436,1026 8.496,1027 0.969,1028 5.533,1029 6.93,1031 10.02,1032 5.477,1033 8.377,1034 -0.683,1035 10.191,1036 -0.732,1037 5.889,1038 7.617,1040 11.684,1041 5.822,1042 9.762,1043 -0.916,1044 11.923,1045 -1.79,1046 7.386,1047 9.512,1049 14.233,1050 7.307,1051 11.172,1052 -1.337,1053 13.681,1054 -2.511,1055 8.137,1056 10.612,1058 16.224,1059 8.048,1060 12.598,1061 -1.458,1062 15.455,1063 -3.244,1064 9.391,1065 12.256,1067 18.586,1068 9.293,1069 3.024,1070 -1.605,1071 17.241,1072 -4.145,1073 10.322,1074 13.549,1076 20.717,1077 10.214,1078 2.757,1079 9.634,1080 19.036,1081 -4.688,1082 11.476,1083 15.087,1085 23.008,1086 11.359,1087 2.273,1088 8.706,1089 20.838,1090 4.392,1091 12.491,1092 16.471,1094 25.201,1095 12.365,1096 1.534,1097 6.749,1098 22.644,1099 3.842,1100 13.604,1101 17.966,1103 27.465,1104 13.47,1105 1.471,1106 4.292,1107 24.455,1108 3.007,1109 14.658,1110 19.393,1112 29.687,1113 14.515,1114 1.099,1115 3.808,1116 26.268,1117 2.301,1118 15.756,1119 20.871,1121 31.942,1122 15.605,1123 0.919,1124 2.387,1125 28.084,1126 2.002,1127 16.829,1128 22.32,1130 34.179,1131 16.67,1132 2440,1133 3951,1134 13.118,1135 20.279,1136 28.596,1137 28.234,1138 28.864,1139 28.289,1140 28.304,1141 39.518,1143 79.721,1144 27.846,1145 5.181,1146 5.041,1147 6.075,1148 5.034,1149 5.024,1150 7.392,1152 16.12,1153 4.998,1154 5.16,1155 1.505,1156 1.486,1157 1.519,1158 1.489,1159 1.49,1160 2.08,1162 4.196,1163 1.466,1164 4.116,1165 4.152,1166 4.081,1167 4.013,1168 5.228,1169 4.024,1170 3.86,1171 3.895,1172 3.816,1173 3.688,1174 5.067,1175 3.709,1176 3.51,1177 3.578,1178 3.348,1179 3.342,1180 4.332,1181 3.336,1182 3.255,1183 3.325,1184 3.146,1185 3.071,1186 4.102,1187 3.079,1188 2.941,1189 3.007,1190 2.814,1191 2.809,1192 3.767,1193 2.803,1194 2.779,1195 2.882,1196 2.527,1197 2.521,1198 3.595,1199 2.505,1200 2.285,1201 2.402,1202 2.191,1203 2.063,1204 3.37,1205 2.066,1206 2.265,1207 2.36,1208 2.077,1209 1.956,1210 3.116,1211 1.962,1212 0.235,1213 0.16,1214 0.332,1215 0.211,1216 0.159,1217 4.469,1218 0.231,1219 3.041,1221 6.305,1222 0.507,1223 4.015,1224 0.158,1225 3.024,1226 4.392,1228 9.634,1229 2.998,1230 1.95,1231 1.931,1232 2.029,1233 2.024,1234 1.213,1235 2.026,1236 1.692,1237 1.635,1238 1.937,1239 1.854,1240 1.158,1241 1.885,1242 1.353,1243 1.311,1244 1.55,1245 1.652,1246 0.683,1247 1.602,1248 1.304,1249 1.228,1250 1.464,1251 1.481,1252 0.436,1253 1.501,1254 1.119,1255 1.07,1256 1.31,1257 1.442,1258 0.404,1259 1.376,1260 0.815,1261 0.743,1262 1.095,1263 1.076,1264 0.146,1265 1.085,1266 0.624,1267 0.524,1268 0.972,1269 0.961,1271 0.985,1272 0.548,1273 0.479,1274 0.815,1275 0.814,1277 0.842,1278 3.664,1280 4.963,1281 3.045,1282 6.45,1283 5.283,1284 8.027,1285 7.273,1286 9.653,1288 2.131,1294 2.032,1305 19.413,1306 46.24,1307 107.946,1308 130.452,1309 138.452,1310 138.452,1311 138.452,1312 17.101,1313 6.41,1314 54.71,1315 54.71,1316 16,1317 12.027,1318 4,1319 3.087,1320 23.838,1321 46,1322 52,1323 0.262,1324 120.105,1325 189.63,1326 284.817,1327 4334,1329 11.665,1330 0.686,1331 0.565,1332 11.665,1333 9.604,1334 8.365,1335 0.44,1336 0.303,1337 5.686,1338 8.034,1339 5.548,1340 4.656,1341 8.365,1342 5.757,1343 7.252,1344 0.279,1345 0.158,1346 7.252,1347 4.105,1348 6.276,1349 0.179,1350 0.08,1351 6.276,1352 2.79,1353 5.379,1354 0.117,1355 0.042,1356 5.379,1357 1.918,1358 3.785,1359 0.074,1360 0.022,1361 3.785,1362 1.132,1363 0.401,1364 52.504,1365 0.276,1366 17.133,1367 0.741,1368 90,1369 257.359,1370 98.372,1371 251.066,1372 354.17,1373 236,1374 106,1375 281.122,1376 115.565,1377 280.503,1378 404.56,1379 264,1380 5.1}
{0 CHEMBL1682360,1 1.515,2 9.381,3 3.157,4 9.967,5 82.841,6 7.241,7 0.625,8 3.79,9 3.917,10 3.359,11 3.317,12 4.819,13 3.298,14 4.346,15 4.531,16 3.689,17 3.73,18 5.268,19 3.686,20 4.576,21 4.815,22 3.588,23 3.804,24 5.403,25 3.695,26 4.602,27 4.876,28 3.461,29 3.694,30 5.395,31 3.569,32 4.349,33 4.61,34 3.352,35 3.489,36 5.191,37 3.397,38 4.191,39 4.407,40 3.296,41 3.336,42 5.155,43 3.278,44 4.052,45 4.287,46 3.07,47 3.196,48 4.946,49 3.118,50 3.837,51 4.051,52 2.841,53 3.143,54 4.621,55 3.019,56 0.093,57 0.614,58 8.522,59 3.496,60 8.411,61 4.781,62 0.101,63 1.001,64 16.05,65 5.739,66 11.25,67 8.234,68 0.19,69 1.132,70 21.672,71 7.73,72 19.591,73 11.22,74 0.294,75 1.06,76 23.676,77 7.736,78 24.53,79 11.455,80 0.16,81 0.848,82 17.957,83 5.871,84 18.476,85 8.669,86 0.283,87 0.727,88 15.171,89 4.591,90 22.615,91 6.516,92 0.241,93 0.648,94 13.309,95 3.938,96 18.196,97 5.633,98 0.075,99 0.545,100 9.946,101 3.893,102 8.098,103 5.517,105 33,106 0.269,107 0.623,108 0.768,109 0.83,110 0.83,111 0.83,112 3.103,113 0.937,114 -3.32,115 -3.3,116 -3.16,119 41,121 3,125 3,142 4,143 2,145 1,146 1,152 2,166 1,168 1,172 6,175 6,180 2,183 6,187 1,188 7,193 2,196 4,199 1,200 6,205 1,208 2,213 5,221 2,224 1,225 6,228 1,230 1,233 1,237 1,238 3,241 1,246 2,258 5,262 1,266 1,271 6,275 537,276 14.74,277 14.74,278 14.74,279 14.74,280 14.74,281 13.072,282 10.227,283 8.859,284 14.95,285 11.909,286 11.909,287 11.909,288 11.909,289 11.909,290 9.387,291 13.229,292 4.271,293 12.242,294 3.771,295 1.779,296 0.962,297 0.615,298 0.615,299 0.615,300 3.808,303 1,304 1,305 1,306 446,307 2,310 99.611,311 118.01,314 81.465,318 1.601,319 10.691,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45,331 197,332 4.47,333 3.086,334 6.306,335 4.017,336 3.027,337 4.392,338 0.916,339 9.639,340 2.999,341 4.186,342 2.948,343 6.033,344 3.759,345 2.784,346 3.845,347 0.172,348 8.731,349 2.716,350 3.693,351 2.688,352 5.542,353 3.48,354 2.533,355 3.03,357 7.53,358 2.396,359 3.376,360 2.275,361 5.048,362 3.102,363 2.134,364 2.458,366 6.089,367 2.062,368 3.034,369 1.554,370 4.407,371 2.518,372 1.534,373 2.301,375 4.277,376 1.508,377 2.815,378 1.534,379 4.194,380 2.48,381 1.495,382 1.932,384 3.745,385 1.471,386 2.537,387 1.362,388 3.578,389 2.265,390 1.291,391 1.551,393 2.979,394 1.254,395 2.399,396 1.077,397 3.432,398 1.998,399 1.025,400 1.389,402 2.359,403 0.995,404 2.181,405 1.046,406 3.274,407 1.984,408 1,409 1.03,411 2.136,412 0.983,413 2,414 0.709,415 3.247,416 1.686,417 0.698,418 1,420 1.691,421 0.689,422 1.888,423 0.4,424 3.031,425 1.367,426 0.394,427 0.587,429 0.981,430 0.383,431 1.009,432 0.117,433 2.761,434 0.853,435 -0.109,436 -0.119,438 -0.288,439 -0.104,440 0.777,441 -0.625,442 2.466,443 0.342,444 -0.651,445 -0.853,447 -1.743,448 -0.646,449 0.573,450 -0.774,451 2.112,452 0.089,453 -0.897,454 -1,456 -2.251,457 -0.884,458 0.203,459 -0.784,460 1.611,461 0.038,462 -0.946,463 -1.044,465 -2.347,466 -0.93,467 9.933,468 0.473,469 0.376,470 0.018,471 26,472 1.238,473 12,474 0.571,475 14,476 0.667,477 15.749,478 0.75,479 22.467,480 0.576,481 15.426,482 0.735,483 4.958,484 0.236,485 5.424,486 0.258,489 0.292,493 0.659,494 1.202,495 0.776,496 1.062,497 0.554,498 0.957,499 1.011,500 1.205,501 0.925,502 1.048,503 0.729,504 0.976,505 0.884,506 1.041,507 1.022,508 1.1,509 0.745,510 1.081,511 1.05,512 0.905,513 0.917,514 0.899,515 0.942,516 0.899,517 1.072,518 0.956,519 0.844,520 0.911,521 1.16,522 0.855,523 1.683,524 1.061,525 1.099,526 0.985,527 1.593,528 0.985,529 1.721,530 0.853,531 1.18,532 0.859,533 1.55,534 0.945,535 0.88,536 1.172,537 1.158,538 1.239,539 0.997,540 1.249,541 3.5,542 0.04,543 1.778,544 0.917,545 0.769,546 0.348,547 0.321,548 0.122,549 0.056,550 0.078,551 5126,552 11101,553 2.246,554 46.2,555 2,556 10,558 1,559 1,561 4,564 1.626,565 2.211,566 3.236,567 -0.291,568 1,569 1,571 1,574 59.072,575 1.515,576 3.506,577 4.324,578 4.67,579 4.67,580 4.67,581 2.701,582 4.107,583 4.365,584 3.374,585 708.442,586 7.449,587 7553.57,588 1,589 1,590 1,591 1,592 206.131,593 0.863,594 4.366,595 0.146,596 0.004,597 0.054,598 0.033,599 0.032,600 0.016,601 0.016,602 0.008,603 0.004,604 0.006,605 0.319,606 0.83,607 1,609 95.579,610 0.245,611 0.002,612 0.094,613 -0.007,614 0.287,615 0.015,616 -0.099,617 -0.088,618 -0.009,619 -0.044,620 0.084,621 -0.013,622 -0.031,623 -0.054,624 -0.072,625 -0.103,626 0.087,627 -0.094,628 0.015,629 -0.014,630 0.091,631 0.071,632 0.078,633 0.087,634 -0.02,635 -0.03,636 0.155,637 0.059,638 -0.014,639 0.125,640 0.003,641 -0.087,642 -0.068,643 -0.044,644 -0.082,645 -0.068,646 -0.197,647 0.144,648 -0.153,649 0.059,650 -0.212,651 -0.035,652 -0.128,653 -0.181,654 -0.243,655 -0.198,656 -0.254,657 -0.237,658 0.842,659 2.01,660 0.952,661 16.653,662 0.998,663 1.131,664 2.088,665 4.359,666 0.662,667 3.219,668 3.526,669 3.807,670 4.078,671 4.22,672 4.29,673 4.443,674 4.564,675 4.564,676 4.625,677 5.633,678 0.628,679 282.38,680 3.219,681 4.745,682 5.595,683 6.463,684 7.326,685 8.199,686 9.067,687 9.943,688 10.815,689 11.692,690 10.3,693 1,698 1,700 2,705 2,706 5,707 2,708 1,709 1,711 3,713 15,732 39,734 15,735 1,736 24,738 42,739 16,740 10,741 3,742 3,745 4,746 5,754 3,757 3,759 10,760 6,774 1,775 1,778 18,779 4,780 1,781 5,786 1,787 4,792 0.75,793 1,800 1,808 2,809 2,812 1,831 1,835 3,843 21,851 6,857 1,867 2.6,872 1,874 9.5,875 6.933,876 4.556,877 2.549,878 2.947,879 1.414,880 1.031,881 3.396,882 10.066,883 3.481,884 4.086,885 4.707,886 5.328,887 5.748,888 6.168,889 6.642,890 7.084,891 7.271,892 7.579,893 1,894 28,895 7.751,897 3.309,898 7.468,899 15.336,901 12.998,903 1.968,904 41.333,905 0.001,908 200.109,909 76.981,910 56.047,912 9.734,915 76.981,916 209.843,917 56.047,919 13.921,920 37.905,921 48.031,922 47.084,923 7.593,924 188.338,926 200.109,927 133.028,928 9.734,931 153.024,932 56.819,935 45.512,936 51.256,937 36.26,939 200.109,940 65.781,941 76.981,944 200.109,945 30.029,946 50.077,947 16.663,948 45.994,949 200.109,950 65.781,951 76.981,953 0.576,954 0.334,955 0.185,956 0.092,957 18,958 6,959 0.071,960 3,961 1,962 1.1,963 3.562,964 163.624,965 0.1,966 20,967 88.239,973 12.9,974 5.528,975 2.68,976 2.119,977 49.118,978 10,979 8.255,980 2.955,981 5.51,983 2.88,985 16.663,986 342.871,987 31.5,998 38.92,999 44.109,1000 0.287,1001 0.663,1002 0.818,1003 0.884,1004 0.884,1005 0.884,1006 4.698,1007 1.025,1008 5.549,1009 2.979,1010 4.205,1011 4.771,1012 0.918,1013 6.319,1014 4.154,1015 5.879,1016 1,1017 7.071,1018 2.359,1019 3.611,1020 4.477,1021 0.325,1022 7.081,1023 3.531,1024 7.17,1025 0.698,1026 8.69,1027 2.136,1028 5.753,1029 6.989,1030 0.671,1031 10.176,1032 5.655,1033 8.501,1034 0.394,1035 10.368,1036 1.691,1037 6.043,1038 7.646,1039 0.393,1040 11.794,1041 5.925,1042 9.869,1043 -0.109,1044 12.084,1045 0.981,1046 7.576,1047 9.537,1048 0.533,1049 14.345,1050 7.442,1051 11.263,1052 -0.651,1053 13.827,1054 -0.288,1055 8.274,1056 10.625,1057 0.384,1058 16.308,1059 8.128,1060 12.676,1061 -0.897,1062 15.588,1063 -1.743,1064 9.55,1065 12.267,1066 0.438,1067 18.667,1068 9.391,1069 3.027,1070 -0.946,1071 17.363,1072 -2.251,1073 10.445,1074 13.555,1075 0.351,1076 20.781,1077 10.278,1078 2.784,1079 9.639,1080 19.147,1081 -2.347,1082 11.609,1083 15.092,1084 0.366,1085 23.067,1086 11.43,1087 2.533,1088 8.731,1089 20.939,1090 4.392,1091 12.6,1092 16.475,1093 0.312,1094 25.25,1095 12.415,1096 2.134,1097 7.53,1098 22.736,1099 3.845,1100 13.716,1101 17.969,1102 0.309,1103 27.509,1104 13.522,1105 1.534,1106 6.089,1107 24.538,1108 3.03,1109 14.755,1110 19.396,1111 0.273,1112 29.725,1113 14.555,1114 1.495,1115 4.277,1116 26.344,1117 2.458,1118 15.852,1119 20.873,1120 0.262,1121 31.976,1122 15.644,1123 1.291,1124 3.745,1125 28.154,1126 2.301,1127 16.915,1128 22.322,1129 0.236,1130 34.209,1131 16.702,1132 4697,1133 7082,1134 16.989,1135 25.807,1136 36.284,1137 35.714,1138 35.705,1139 35.862,1140 35.832,1141 47.029,1142 2.178,1143 100.312,1144 34.908,1145 5.47,1146 5.086,1147 6.108,1148 5.053,1149 5.027,1150 7.392,1151 1.605,1152 16.128,1153 4.999,1155 1.512,1156 1.488,1157 1.488,1158 1.494,1159 1.493,1160 1.96,1161 0.091,1162 4.18,1163 1.454,1164 4.118,1165 4.154,1166 4.082,1167 4.013,1168 5.229,1169 4.024,1170 3.899,1171 3.955,1172 3.834,1173 3.727,1174 5.067,1175 3.739,1176 3.759,1177 3.801,1178 3.652,1179 3.586,1180 4.339,1181 3.598,1182 3.319,1183 3.388,1184 3.229,1185 3.149,1186 4.303,1187 3.16,1188 3.113,1189 3.206,1190 2.959,1191 2.941,1192 3.778,1193 2.91,1194 3.111,1195 3.193,1196 2.866,1197 2.904,1198 3.757,1199 2.904,1200 2.924,1201 2.992,1202 2.8,1203 2.756,1204 3.474,1205 2.761,1206 2.646,1207 2.749,1208 2.414,1209 2.399,1210 3.439,1211 2.384,1212 0.186,1213 0.129,1214 0.263,1215 0.167,1216 0.126,1217 4.47,1218 0.183,1219 3.086,1220 0.038,1221 6.306,1222 0.402,1223 4.017,1224 0.125,1225 3.027,1226 4.392,1227 0.916,1228 9.639,1229 2.999,1230 1.95,1231 1.931,1232 2.057,1233 2.029,1234 1.408,1235 2.039,1236 1.83,1237 1.766,1238 2.025,1239 2.014,1240 1.175,1241 2.021,1242 1.509,1243 1.467,1244 1.683,1245 1.666,1246 0.93,1247 1.671,1248 1.312,1249 1.231,1250 1.513,1251 1.639,1252 0.825,1253 1.595,1254 1.218,1255 1.191,1256 1.466,1257 1.465,1258 0.569,1259 1.429,1260 1.153,1261 1.064,1262 1.375,1263 1.376,1264 0.411,1265 1.413,1266 0.934,1267 0.847,1268 1.216,1269 1.234,1270 0.393,1271 1.232,1272 0.804,1273 0.734,1274 1.075,1275 1.074,1276 0.112,1277 1.084,1278 3.892,1280 5.198,1281 3.045,1282 6.691,1283 5.283,1284 8.265,1285 7.273,1286 9.882,1294 7.165,1300 2.449,1305 24.488,1306 59.072,1307 136.747,1308 168.621,1309 182.131,1310 182.131,1311 182.131,1312 22.128,1313 7.119,1314 57.95,1315 57.95,1316 22,1317 12.231,1318 4,1319 3.087,1320 28.192,1321 71,1322 65,1323 0.195,1324 148.283,1325 240.17,1326 353.571,1327 11728,1329 14.071,1330 0.67,1331 0.566,1332 14.071,1333 11.879,1334 10.382,1335 0.433,1336 0.312,1337 7.395,1338 9.949,1339 7.273,1340 6.012,1341 10.382,1342 7.498,1343 9.203,1344 0.279,1345 0.172,1346 9.203,1347 5.691,1348 7.97,1349 0.181,1350 0.094,1351 7.97,1352 4.118,1353 6.817,1354 0.118,1355 0.051,1356 6.817,1357 2.965,1358 5.099,1359 0.076,1360 0.03,1361 5.099,1362 1.994,1363 0.307,1364 65.222,1365 0.243,1366 21.045,1367 0.53,1368 114,1369 301.004,1370 124.454,1371 292.444,1372 412.31,1373 276,1374 134,1375 323.235,1376 146.257,1377 323.303,1378 468.28,1379 304,1380 5.1}
{0 CHEMBL1682540,1 1.487,2 7.222,3 2.054,4 4.218,5 68.032,6 8.714,7 0.952,8 3.479,9 3.597,10 3.204,11 3.059,12 4.673,13 3.077,14 3.939,15 4.084,16 3.565,17 3.452,18 5.108,19 3.457,20 4.059,21 4.242,22 3.451,23 3.47,24 5.149,25 3.429,26 4.022,27 4.249,28 3.221,29 3.317,30 5.034,31 3.255,32 3.764,33 3.993,34 2.998,35 3.07,36 4.736,37 3.007,38 3.585,39 3.783,40 2.999,41 2.95,42 4.706,43 2.923,44 3.547,45 3.77,46 2.772,47 2.825,48 4.564,49 2.761,50 3.293,51 3.551,52 2.41,53 2.5,54 4.288,55 2.408,56 0.053,57 0.478,58 3.804,59 1.885,60 4.56,61 2.114,62 0.145,63 0.754,64 6.777,65 2.999,66 8.936,67 3.373,68 0.102,69 0.786,70 9.074,71 3.953,72 11.069,73 4.834,74 0.168,75 0.728,76 10.491,77 3.776,78 16.383,79 4.688,80 0.107,81 0.553,82 8.33,83 3.15,84 10.132,85 4.103,86 0.118,87 0.494,88 6.02,89 2.325,90 10.034,91 2.872,92 0.126,93 0.457,94 6.262,95 2.341,96 8.773,97 2.956,98 0.104,99 0.333,100 5.727,101 2.102,102 9.017,103 2.904,105 30,106 0.279,107 0.629,108 0.81,109 0.893,110 0.893,111 0.893,112 2.962,113 0.805,114 -2.8,115 -2.81,116 -2.72,119 48.1,142 4,143 2,145 2,146 1,151 2,152 1,162 1,168 1,172 4,174 3,175 4,180 2,183 4,188 5,193 2,196 2,200 8,205 1,213 4,221 1,224 1,225 2,228 1,233 2,237 1,241 1,246 2,249 1,253 1,263 1,268 1,275 316,276 12.671,277 12.671,278 12.671,279 12.671,280 12.671,281 10.46,283 7.46,284 12.957,285 10.414,286 10.414,287 10.414,288 10.414,289 10.414,290 7.102,292 3.573,293 10.897,294 3.268,295 1.407,296 0.444,300 3.667,304 1,305 1,306 299,307 1.732,310 63.585,311 76.941,314 117.108,318 1.136,319 8.541,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 38.5,331 130,332 4.539,333 3.091,334 6.402,335 4.049,336 3.091,337 4.475,339 9.982,340 2.985,341 4.382,342 2.882,343 6.176,344 3.836,345 2.882,346 4.323,348 9.19,349 2.733,350 3.839,351 2.438,352 5.833,353 3.4,354 2.438,355 3.342,357 7.976,358 2.334,359 3.056,360 1.556,361 4.433,362 2.527,363 1.556,364 2.334,366 4.318,367 1.512,368 3.034,369 1.534,370 4.414,371 2.515,372 1.534,373 2.3,375 4.312,376 1.499,377 3.032,378 1.532,379 4.254,380 2.444,381 1.532,382 2.298,384 3.896,385 1.397,386 2.741,387 1.253,388 3.594,389 2.216,390 1.253,391 1.858,393 2.868,394 1.203,395 2.5,396 1,397 3.431,398 1.966,399 1,400 1.5,402 2.336,403 0.963,404 1.896,405 0.402,406 3.034,407 1.372,408 0.402,409 0.599,411 0.995,412 0.389,413 1.847,414 0.347,415 3,416 1.278,417 0.347,418 0.521,420 0.86,421 0.322,422 0.847,423 -0.589,424 2.598,425 0.39,426 -0.589,427 -0.815,429 -1.591,430 -0.574,431 0.667,432 -0.833,433 2.169,434 0.129,435 -0.833,436 -1.25,438 -2.096,439 -0.799,440 0.561,441 -0.93,442 2,443 0.044,444 -0.93,445 -1.383,447 -2.512,448 -0.905,449 0.5,450 -1,451 1.652,452 -0.068,453 -1,454 -1.5,456 -2.625,457 -0.934,458 0.054,459 -1.379,460 1.586,461 -0.43,462 -1.379,463 -1.911,465 -4.031,466 -1.298,467 8.5,468 0.472,469 0.359,470 0.02,471 28.75,472 1.597,473 16,474 0.889,475 12.75,476 0.708,477 8.913,478 0.495,479 17.3,480 0.641,481 16.522,482 0.918,483 5.727,484 0.318,485 3.172,486 0.176,489 0.341,493 0.849,494 1.2,495 0.623,496 0.907,497 0.767,498 0.764,499 0.936,500 0.971,501 0.816,502 0.863,503 0.869,504 0.828,505 0.962,506 1.203,507 1.013,508 1.168,509 0.847,510 1.114,511 1.255,512 0.94,513 1.166,514 0.968,515 1.359,516 1.033,517 0.975,518 1.012,519 0.976,520 1.001,521 0.89,522 0.991,523 0.937,524 0.96,525 0.952,526 0.965,527 0.906,528 0.962,529 0.973,530 0.915,531 1.176,532 1.097,533 1.227,534 1.156,535 0.579,536 0.764,537 0.954,538 1.009,539 0.665,540 1.04,541 3,543 2,544 0.924,545 0.876,546 0.292,547 0.18,548 0.149,549 0.054,551 3145,552 8503,553 2.289,554 33.3,556 4,557 2,558 2,559 1,564 1.585,565 2.25,566 2.924,567 -0.225,571 1,574 40.137,575 1.487,576 3.347,577 4.31,578 4.755,579 4.755,580 4.755,581 2.281,582 3.308,583 4.147,584 3.002,585 459.265,586 7.024,587 4207.15,588 1,589 1,591 1,592 128.382,593 0.918,594 4.142,595 0.143,597 0.067,598 0.036,599 0.044,600 0.018,601 0.011,602 0.012,603 0.007,605 0.337,606 0.83,607 1,609 75.274,610 0.03,611 -0.135,612 0.067,613 -0.053,614 -0.046,615 -0.001,616 0.042,617 0.099,618 -0.063,619 -0.003,620 -0.042,621 -0.041,622 -0.125,623 -0.25,624 -0.128,625 -0.213,626 0.019,627 -0.18,628 -0.274,629 0.004,630 -0.152,631 0.015,632 -0.306,633 -0.033,634 -0.083,635 -0.11,636 0.065,637 0.018,638 0.048,639 0.057,640 0.088,641 0.034,642 -0.016,643 -0.033,644 0.105,645 -0.041,646 0.059,647 0.044,648 -0.165,649 -0.133,650 -0.237,651 -0.177,652 0.379,653 0.11,654 0.197,655 0.048,656 0.415,657 0.081,658 0.959,659 1.495,660 1,661 10.617,662 1.01,663 1.123,664 1.567,665 2.457,666 0.724,667 3.091,668 3.434,669 3.761,670 4.06,671 4.248,672 4.344,673 4.489,674 4.644,675 4.615,676 4.673,677 4.498,678 0.71,679 235.27,680 3.091,681 4.635,682 5.509,683 6.399,684 7.287,685 8.18,686 9.073,687 9.967,688 10.861,689 11.757,690 18.5,698 2,700 3,705 3,706 8,707 3,708 1,711 2,713 20,732 27,734 20,735 1,736 21,738 30,739 13,740 13,741 3,742 3,745 4,746 6,759 13,775 1,778 9,779 3,780 1,781 5,784 1,787 5,792 0.5,800 1,803 1,808 2,809 2,812 2,835 2,843 18,874 8,875 4.967,876 3.833,877 1.538,878 4.042,879 1.579,880 1.111,881 1.915,882 11.018,883 3.466,884 4.182,885 4.896,886 5.577,887 6.113,888 6.54,889 7.049,890 7.575,891 7.849,892 8.313,893 0.8,894 26,895 6.575,897 2.851,898 7.602,899 12.601,901 10.547,903 2.102,904 37.833,905 0.001,908 94.169,909 86.041,910 68.184,915 86.041,916 94.169,917 68.184,920 56,921 73.776,922 45.846,923 25.686,924 47.084,926 94.169,927 154.224,931 94.169,935 40.088,936 63.903,937 50.234,939 94.169,940 68.184,941 86.041,944 94.169,945 11.946,946 75.381,947 16.663,948 50.234,949 94.169,950 68.184,951 86.041,953 0.585,954 0.35,955 0.197,956 0.1,957 18,958 6,959 0.033,960 1,961 2,962 1.222,963 3.202,964 139.116,965 0.222,966 18,967 75.059,973 9.656,974 3.57,975 1.499,976 2.818,977 50.234,978 15.465,979 12.724,980 2.937,983 1.978,985 16.663,986 248.393,987 31,998 27.276,999 30.322,1000 0.313,1001 0.704,1002 0.907,1003 1,1004 1,1005 1,1006 4.673,1007 1,1008 5.485,1009 2.868,1010 4.111,1011 4.868,1013 6.304,1014 4.025,1015 5.912,1016 0.402,1017 7.04,1018 2.336,1019 3.611,1020 4.691,1022 7.168,1023 3.483,1024 7.237,1025 0.347,1026 8.694,1027 0.995,1028 5.707,1029 7.227,1031 10.28,1032 5.537,1033 8.605,1034 -0.589,1035 10.407,1036 0.86,1037 6.089,1038 7.956,1040 11.984,1041 5.874,1042 10.006,1043 -0.833,1044 12.157,1045 -1.591,1046 7.6,1047 9.881,1049 14.562,1050 7.349,1051 11.431,1052 -0.93,1053 13.932,1054 -2.096,1055 8.379,1056 11.022,1058 16.592,1059 8.084,1060 12.875,1061 -1,1062 15.724,1063 -2.512,1064 9.651,1065 12.695,1067 18.981,1068 9.321,1069 3.091,1070 -1.379,1071 17.527,1072 -2.625,1073 10.61,1074 14.025,1076 21.147,1077 10.237,1078 2.882,1079 9.982,1080 19.338,1081 -4.031,1082 11.782,1083 15.59,1085 23.465,1086 11.376,1087 2.438,1088 9.19,1089 21.155,1090 4.475,1091 12.822,1092 17.005,1094 25.691,1095 12.375,1096 1.556,1097 7.976,1098 22.977,1099 4.323,1100 13.954,1101 18.524,1103 27.983,1104 13.473,1105 1.534,1106 4.318,1107 24.802,1108 3.342,1109 15.031,1110 19.978,1112 30.237,1113 14.512,1114 1.532,1115 4.312,1116 26.629,1117 2.334,1118 16.149,1119 21.477,1121 32.521,1122 15.595,1123 1.253,1124 3.896,1125 28.459,1126 2.3,1127 17.244,1128 22.949,1130 34.79,1131 16.654,1132 2870,1133 4824,1134 14.909,1135 19.551,1136 32.21,1137 32.07,1138 32,1139 32.06,1140 32.07,1141 47.104,1143 93.466,1144 30.674,1145 5.204,1146 5.091,1147 6.084,1148 5.118,1149 5.091,1150 7.475,1152 16.669,1153 4.985,1155 1.534,1156 1.527,1157 1.524,1158 1.527,1159 1.527,1160 2.243,1162 4.451,1163 1.461,1164 4.153,1165 4.2,1166 4.123,1167 4.031,1168 5.16,1169 4.046,1170 4.009,1171 4.065,1172 3.975,1173 3.829,1174 5.06,1175 3.861,1176 3.446,1177 3.5,1178 3.382,1179 3.309,1180 4.464,1181 3.32,1182 3.172,1183 3.238,1184 3.074,1185 3.014,1186 4.191,1187 3.02,1188 2.923,1189 2.991,1190 2.804,1191 2.777,1192 3.95,1193 2.779,1194 2.807,1195 2.893,1196 2.727,1197 2.559,1198 3.754,1199 2.591,1200 2.373,1201 2.457,1202 2.28,1203 2.165,1204 3.243,1205 2.182,1206 2.265,1207 2.38,1208 2.045,1209 2.031,1210 3.122,1211 2.02,1212 0.216,1213 0.147,1214 0.305,1215 0.193,1216 0.147,1217 4.539,1218 0.213,1219 3.091,1221 6.402,1222 0.475,1223 4.049,1224 0.142,1225 3.091,1226 4.475,1228 9.982,1229 2.985,1230 1.951,1231 1.93,1232 2.028,1233 2.044,1234 1.175,1235 2.031,1236 1.824,1237 1.769,1238 1.919,1239 2.017,1240 0.947,1241 2,1242 1.364,1243 1.319,1244 1.475,1245 1.653,1246 0.537,1247 1.604,1248 1.303,1249 1.228,1250 1.44,1251 1.496,1252 0.406,1253 1.481,1254 0.95,1255 0.885,1256 1.14,1257 1.165,1258 0.208,1259 1.166,1260 0.859,1261 0.788,1262 1.054,1263 1.082,1264 0.024,1265 1.092,1266 0.658,1267 0.579,1268 0.929,1269 0.887,1271 0.91,1272 0.478,1273 0.388,1274 0.827,1275 0.735,1277 0.771,1278 3.761,1280 5.094,1281 3.045,1282 6.621,1283 5.352,1284 8.235,1285 7.413,1286 9.892,1305 19.161,1306 40.137,1307 90.382,1308 116.382,1309 128.382,1310 128.382,1311 128.382,1312 14.483,1313 6.976,1314 58.87,1315 58.87,1316 22,1317 12.282,1318 4.392,1319 3.459,1320 22.733,1321 49,1322 36,1323 0.236,1324 116.45,1325 174.3,1326 275.897,1327 9186,1329 11.949,1330 0.664,1331 0.523,1332 11.949,1333 9.408,1334 8.899,1335 0.424,1336 0.268,1337 5.545,1338 8.538,1339 5.462,1340 4.519,1341 8.899,1342 5.633,1343 8.06,1344 0.269,1345 0.138,1346 8.06,1347 4.125,1348 7.274,1349 0.173,1350 0.071,1351 7.274,1352 2.971,1353 6.331,1354 0.111,1355 0.036,1356 6.331,1357 2.071,1358 4.946,1359 0.072,1360 0.019,1361 4.946,1362 1.327,1363 0.358,1364 55.785,1365 0.259,1366 17.872,1367 0.679,1368 102,1369 284.913,1370 111.464,1371 283.847,1372 406.01,1373 268,1374 123,1375 320.902,1376 133.769,1377 325.686,1378 477.12,1379 307,1380 5.1}
{0 CHEMBL1682545,1 1.559,2 9.381,3 3.968,4 15.745,5 85.95,6 8.86,7 0.875,8 3.639,9 3.748,10 3.425,11 3.322,12 4.795,13 3.278,14 4.083,15 4.207,16 3.783,17 3.684,18 5.204,19 3.628,20 4.238,21 4.426,22 3.621,23 3.679,24 5.26,25 3.582,26 4.22,27 4.441,28 3.588,29 3.609,30 5.193,31 3.478,32 4.044,33 4.251,34 3.516,35 3.503,36 5.006,37 3.35,38 3.852,39 4.025,40 3.399,41 3.356,42 4.918,43 3.232,44 3.767,45 3.966,46 3.18,47 3.18,48 4.732,49 3.068,50 3.593,51 3.792,52 2.803,53 3.03,54 4.556,55 2.913,56 0.045,57 0.512,58 5.179,59 2.614,60 5.595,61 2.984,62 0.074,63 0.815,64 10.159,65 4.368,66 7.975,67 5.001,68 0.08,69 0.912,70 13.163,71 5.61,72 13.855,73 6.681,74 0.121,75 0.908,76 14.705,77 5.862,78 17.113,79 6.916,80 0.104,81 0.781,82 17.168,83 6.12,84 12.987,85 6.481,86 0.122,87 0.671,88 12.011,89 4.416,90 11.98,91 4.506,92 0.098,93 0.593,94 11.259,95 3.84,96 8.804,97 4.298,98 0.079,99 0.455,100 7.291,101 3.215,102 7.421,103 4.173,105 33,106 0.281,107 0.587,108 0.742,109 0.852,110 0.867,111 0.867,112 3.103,113 0.934,114 -4.41,115 -4.34,116 -4.09,119 48.5,142 8,143 2,144 1,145 1,146 1,151 1,152 1,162 1,168 1,172 8,175 3,178 1,180 5,183 8,188 4,193 4,196 5,200 6,205 3,208 4,213 2,218 2,221 4,224 1,225 1,228 1,230 2,233 3,238 1,243 1,246 6,253 1,254 1,258 9,271 6,275 537,276 14.74,277 14.74,278 14.74,279 14.74,280 14.74,281 12.321,282 9.487,283 8.859,284 15.118,285 11.909,286 11.909,287 11.909,288 11.909,289 11.909,290 8.36,291 17.5,292 4.271,293 12.549,294 3.485,295 1.795,296 0.932,297 0.326,298 0.242,299 0.242,300 3.808,303 1,304 1,305 1,306 446,307 2,310 99.611,311 118.01,314 81.465,318 1.601,319 8.526,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 44,331 197,332 4.47,333 3.043,334 6.306,335 4.001,336 3.027,337 4.392,338 0.4,339 9.639,340 2.958,341 4.197,342 2.859,343 6.033,344 3.717,345 2.784,346 3.856,348 8.731,349 2.608,350 3.906,351 2.608,352 5.542,353 3.504,354 2.533,355 3.446,357 7.53,358 2.456,359 3.551,360 2.181,361 5.048,362 3.046,363 2.134,364 2.97,366 6.089,367 1.913,368 3.034,369 1.542,370 4.407,371 2.518,372 1.534,373 2.301,375 4.277,376 1.507,377 2.936,378 1.533,379 4.194,380 2.469,381 1.495,382 2.118,384 3.745,385 1.452,386 2.751,387 1.32,388 3.578,389 2.247,390 1.291,391 1.863,393 2.979,394 1.223,395 2.512,396 1.035,397 3.432,398 2,399 1.025,400 1.518,402 2.359,403 1,404 2.5,405 1,406 3.274,407 1.985,408 1,409 1.5,411 2.136,412 0.979,413 2.186,414 0.703,415 3.247,416 1.507,417 0.698,418 1.034,420 1.691,421 0.552,422 1.889,423 0.397,424 3.031,425 1.35,426 0.394,427 0.588,429 0.981,430 0.377,431 1.18,432 0.038,433 2.761,434 0.826,435 -0.109,436 -0.136,438 -0.288,439 -0.101,440 0.79,441 -0.637,442 2.466,443 0.33,444 -0.651,445 -0.897,447 -1.743,448 -0.631,449 0.578,450 -0.83,451 2.112,452 0.077,453 -0.897,454 -1.241,456 -2.251,457 -0.869,458 0.5,459 -0.923,460 1.611,461 0.019,462 -0.946,463 -1.368,465 -2.347,466 -0.91,467 10.433,468 0.497,469 0.376,470 0.018,471 32,472 1.524,473 18.5,474 0.881,475 13.5,476 0.643,477 12.433,478 0.592,479 20.167,480 0.611,481 18.742,482 0.892,483 6.263,484 0.298,485 4.119,486 0.196,489 0.288,493 0.879,494 0.903,495 0.685,496 0.715,497 0.869,498 0.708,499 0.82,500 1.209,501 0.898,502 1.086,503 0.859,504 0.965,505 1.094,506 1.127,507 0.948,508 1.013,509 0.978,510 1.079,511 1.225,512 0.947,513 0.94,514 0.864,515 1.202,516 0.954,517 1.125,518 1.006,519 1.489,520 1.214,521 0.962,522 0.923,523 1.159,524 0.995,525 1.535,526 1.263,527 1.045,528 1.053,529 1.121,530 1.137,531 1.268,532 1.254,533 1.105,534 1.066,535 0.368,536 0.77,537 0.919,538 1.038,539 0.674,540 1.154,541 3.5,542 0.04,543 1.778,544 0.917,545 0.769,546 0.348,547 0.321,548 0.122,549 0.056,550 0.078,551 5126,552 13564,553 2.246,554 36.4,556 8,557 1,558 1,559 2,564 1.626,565 2.211,566 3.236,567 0.331,569 1,574 51.445,575 1.559,576 3.25,577 4.112,578 4.718,579 4.802,580 4.802,581 2.701,582 4.107,583 4.365,584 3.374,585 708.442,586 7.449,587 7553.57,589 1,590 1,591 1,592 166.465,593 0.863,594 4.366,595 0.146,596 0.004,597 0.054,598 0.033,599 0.032,600 0.016,601 0.016,602 0.008,603 0.004,604 0.006,605 0.319,606 0.5,607 1,609 95.579,610 0.039,611 0.116,612 0.054,613 0.103,614 -0.088,615 0.069,616 0.102,617 -0.203,618 -0.037,619 -0.195,620 -0.018,621 -0.14,622 -0.142,623 -0.166,624 -0.106,625 -0.126,626 -0.068,627 -0.156,628 -0.165,629 0.038,630 0.066,631 0.121,632 -0.137,633 0.036,634 -0.107,635 0.018,636 -0.03,637 0.065,638 0.082,639 0.137,640 0.004,641 0.092,642 -0.217,643 -0.098,644 0.009,645 -0.115,646 -0.075,647 -0.13,648 -0.103,649 -0.172,650 -0.132,651 -0.08,652 0.316,653 0.1,654 -0.139,655 -0.154,656 0.09,657 -0.163,658 0.775,659 1.644,660 0.952,661 16.653,662 1.001,663 1.108,664 3.179,665 10.103,666 0.749,667 3.219,668 3.526,669 3.807,670 4.078,671 4.22,672 4.29,673 4.443,674 4.564,675 4.564,676 4.625,677 5.633,678 0.708,679 292.39,680 3.219,681 4.745,682 5.595,683 6.463,684 7.326,685 8.199,686 9.067,687 9.943,688 10.815,689 11.692,690 12.1,698 2,700 2,705 2,706 10,707 2,708 1,710 1,711 4,713 21,725 1,732 33,734 21,735 2,736 24,738 36,739 16,740 16,741 4,742 8,745 4,746 5,759 16,775 1,778 12,779 3,780 2,781 5,782 1,787 4,792 0.75,800 1,808 2,809 2,812 1,835 3,837 1,843 21,853 1,861 1,874 9.5,875 5.9,876 4.556,877 1.849,878 3.946,879 1.554,880 1.08,881 3.164,882 11.065,883 3.57,884 4.22,885 4.856,886 5.483,887 5.935,888 6.278,889 6.767,890 7.231,891 7.47,892 7.832,893 1,894 28,895 7.691,897 3.272,898 7.54,899 14.877,901 12.314,903 2.04,904 42.833,905 0.001,908 117.711,909 137.701,910 68.122,914 31.278,915 106.423,916 117.711,917 68.122,920 83.459,921 45.22,922 55.494,923 13.915,924 125.447,926 117.711,927 174.546,929 31.278,931 117.711,935 46.979,936 94.118,937 33.449,938 31.278,939 117.711,940 68.122,941 137.701,944 117.711,945 45.195,946 92.506,947 34.674,948 33.449,949 117.711,950 68.122,951 137.701,953 0.576,954 0.334,955 0.185,956 0.092,957 18,958 6,959 0.083,960 3,961 1,962 1.1,963 3.562,964 163.624,965 0.1,966 20,967 88.239,969 1,973 12.539,974 5.299,975 2.545,976 2.134,977 51.459,978 20.132,979 8.686,980 2.956,982 1.601,983 4.009,985 34.674,986 323.534,987 34.5,998 33.018,999 36.574,1000 0.309,1001 0.644,1002 0.815,1003 0.935,1004 0.952,1005 0.952,1006 4.764,1007 1.025,1008 5.549,1009 2.979,1010 4.205,1011 4.905,1012 0.278,1013 6.319,1014 4.11,1015 5.973,1016 1,1017 7.071,1018 2.359,1019 3.611,1020 4.559,1022 7.081,1023 3.484,1024 7.27,1025 0.698,1026 8.69,1027 2.136,1028 5.753,1029 7.157,1030 0.05,1031 10.176,1032 5.58,1033 8.607,1034 0.394,1035 10.368,1036 1.691,1037 6.043,1038 7.729,1040 11.794,1041 5.833,1042 9.976,1043 -0.109,1044 12.084,1045 0.981,1046 7.576,1047 9.687,1048 0.008,1049 14.345,1050 7.338,1051 11.369,1052 -0.651,1053 13.827,1054 -0.288,1055 8.274,1056 10.699,1058 16.308,1059 8.002,1060 12.78,1061 -0.897,1062 15.588,1063 -1.743,1064 9.55,1065 12.381,1066 0.001,1067 18.667,1068 9.256,1069 3.027,1070 -0.946,1071 17.363,1072 -2.251,1073 10.445,1074 13.615,1076 20.781,1077 10.119,1078 2.784,1079 9.639,1080 19.147,1081 -2.347,1082 11.609,1083 15.173,1085 23.067,1086 11.262,1087 2.533,1088 8.731,1089 20.939,1090 4.392,1091 12.6,1092 16.521,1094 25.25,1095 12.225,1096 2.134,1097 7.53,1098 22.736,1099 3.856,1100 13.716,1101 18.023,1103 27.509,1104 13.321,1105 1.534,1106 6.089,1107 24.538,1108 3.446,1109 14.755,1110 19.429,1112 29.725,1113 14.335,1114 1.495,1115 4.277,1116 26.344,1117 2.97,1118 15.852,1119 20.91,1121 31.976,1122 15.412,1123 1.291,1124 3.745,1125 28.154,1126 2.301,1127 16.915,1128 22.346,1130 34.209,1131 16.453,1132 4697,1133 7767,1134 16.989,1135 24.716,1136 36.24,1137 35.718,1138 35.705,1139 35.784,1140 35.832,1141 51.174,1142 0.8,1143 100.312,1144 34.047,1145 5.231,1146 5.043,1147 6.108,1148 5.113,1149 5.027,1150 7.392,1151 0.8,1152 16.128,1153 4.958,1155 1.51,1156 1.488,1157 1.488,1158 1.491,1159 1.493,1160 2.132,1161 0.033,1162 4.18,1163 1.419,1164 4.113,1165 4.15,1166 4.241,1167 4.03,1168 5.104,1169 4.028,1170 3.914,1171 3.951,1172 4.017,1173 3.842,1174 4.878,1175 3.831,1176 3.743,1177 3.77,1178 3.795,1179 3.716,1180 4.712,1181 3.658,1182 3.283,1183 3.345,1184 3.284,1185 3.139,1186 4.298,1187 3.134,1188 2.992,1189 3.062,1190 2.888,1191 2.848,1192 3.875,1193 2.847,1194 2.902,1195 2.97,1196 2.829,1197 2.769,1198 3.744,1199 2.755,1200 2.854,1201 2.925,1202 2.687,1203 2.735,1204 3.674,1205 2.715,1206 2.453,1207 2.545,1208 2.48,1209 2.262,1210 3.325,1211 2.262,1212 0.186,1213 0.127,1214 0.263,1215 0.167,1216 0.126,1217 4.47,1218 0.183,1219 3.043,1220 0.017,1221 6.306,1222 0.402,1223 4.001,1224 0.123,1225 3.027,1226 4.392,1227 0.4,1228 9.639,1229 2.958,1230 1.949,1231 1.929,1232 2.026,1233 2.022,1234 1.173,1235 2.025,1236 1.886,1237 1.855,1238 2.008,1239 1.981,1240 1.063,1241 1.993,1242 1.356,1243 1.343,1244 1.469,1245 1.65,1246 0.598,1247 1.601,1248 1.303,1249 1.245,1250 1.405,1251 1.486,1252 0.415,1253 1.462,1254 1.276,1255 1.226,1256 1.28,1257 1.369,1258 0.402,1259 1.425,1260 0.886,1261 0.821,1262 1.181,1263 1.068,1264 0.218,1265 1.107,1266 0.876,1267 0.819,1268 1.091,1269 1.062,1270 0.165,1271 1.099,1272 0.781,1273 0.718,1274 0.941,1275 0.929,1276 0.024,1277 0.979,1278 3.892,1280 5.198,1281 3.045,1282 6.691,1283 5.283,1284 8.265,1285 7.273,1286 9.882,1296 3.315,1305 23.38,1306 51.445,1307 107.246,1308 135.71,1309 155.71,1310 158.465,1311 158.465,1312 19.2,1313 7.119,1314 53.6,1315 81.84,1316 22,1317 12.231,1318 4.459,1319 3.524,1320 28.192,1321 71,1322 65,1323 0.195,1324 146.636,1325 231.07,1326 349.551,1327 11728,1329 14.071,1330 0.67,1331 0.566,1332 14.424,1333 11.893,1334 10.382,1335 0.433,1336 0.311,1337 6.609,1338 9.668,1339 6.397,1340 5.317,1341 10.836,1342 7.475,1343 9.203,1344 0.279,1345 0.168,1346 9.78,1347 5.559,1348 7.97,1349 0.181,1350 0.091,1351 8.61,1352 4.023,1353 6.817,1354 0.118,1355 0.051,1356 7.562,1357 2.951,1358 5.099,1359 0.076,1360 0.028,1361 5.697,1362 1.86,1363 0.307,1364 68.605,1365 0.243,1366 21.045,1367 0.53,1368 114,1369 298.816,1370 144.666,1371 322.257,1372 455.66,1373 304,1374 134,1375 336.57,1376 160.395,1377 358.89,1378 521.68,1379 338,1380 5.1}
{0 CHEMBL1682546,1 1.537,2 10.182,3 3.81,4 14.517,5 92.27,6 8.512,7 0.84,8 3.712,9 3.826,10 3.463,11 3.384,12 4.837,13 3.334,14 4.176,15 4.316,16 3.81,17 3.751,18 5.252,19 3.685,20 4.337,21 4.531,22 3.658,23 3.763,24 5.312,25 3.651,26 4.353,27 4.586,28 3.569,29 3.685,30 5.276,31 3.538,32 4.177,33 4.409,34 3.526,35 3.555,36 5.077,37 3.396,38 3.987,39 4.187,40 3.521,41 3.451,42 5.01,43 3.316,44 3.903,45 4.091,46 3.348,47 3.339,48 4.871,49 3.206,50 3.783,51 4.009,52 2.887,53 3.158,54 4.661,55 3.019,56 0.05,57 0.554,58 6.265,59 2.994,60 6.61,61 3.592,62 0.103,63 0.896,64 12.454,65 4.993,66 10.423,67 6.02,68 0.073,69 0.987,70 15.435,71 6.57,72 15.491,73 8.28,74 0.154,75 1.031,76 19.304,77 7.043,78 20.638,79 8.416,80 0.099,81 0.858,82 17.698,83 6.615,84 14.868,85 7.844,86 0.15,87 0.766,88 15.231,89 5.298,90 15.191,91 5.683,92 0.11,93 0.692,94 13.927,95 4.594,96 11.109,97 5.055,98 0.107,99 0.552,100 10.856,101 4.286,102 9.587,103 5.474,105 34,106 0.273,107 0.616,108 0.757,109 0.855,110 0.869,111 0.869,112 3.146,113 0.952,114 -4.38,115 -4.32,116 -4.07,119 47.2,125 1,142 8,143 3,145 1,146 1,151 1,152 1,162 1,168 1,172 10,175 3,178 1,180 4,183 10,188 4,193 4,196 6,200 5,205 4,208 3,213 2,218 3,221 4,224 1,225 2,228 1,230 2,233 3,238 2,243 1,246 5,253 1,254 1,258 8,271 9,275 620,276 15.447,277 15.447,278 15.447,279 15.447,280 15.447,281 13.028,282 9.712,283 9.307,284 15.824,285 12.392,286 12.392,287 12.392,288 12.392,289 12.392,290 8.817,291 15.848,292 4.476,293 13.025,294 3.633,295 1.701,296 0.91,297 0.354,298 0.278,299 0.278,300 3.851,303 1,304 1,305 1,306 505,307 2.236,310 108.456,311 129.276,314 88.391,318 1.727,319 9.321,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 224,332 4.47,333 3.038,334 6.305,335 3.999,336 3.025,337 4.392,338 0.657,339 9.635,340 2.957,341 4.182,342 2.849,343 6.029,344 3.699,345 2.763,346 3.843,348 8.708,349 2.599,350 3.898,351 2.697,352 5.398,353 3.517,354 2.526,355 3.444,357 7.099,358 2.504,359 3.602,360 2.322,361 5.228,362 3.137,363 2.234,364 3.002,366 6.599,367 1.981,368 3.034,369 1.636,370 4.413,371 2.52,372 1.538,373 2.301,375 4.291,376 1.51,377 2.946,378 1.534,379 4.213,380 2.514,381 1.533,382 2.12,384 3.811,385 1.502,386 2.817,387 1.421,388 3.629,389 2.33,390 1.37,391 1.951,393 3.113,394 1.305,395 2.528,396 1.064,397 3.435,398 2.006,399 1.048,400 1.542,402 2.376,403 1,404 2.5,405 1,406 3.281,407 2,408 1,409 1.5,411 2.136,412 0.999,413 2.194,414 0.776,415 3.247,416 1.549,417 0.722,418 1.05,420 1.74,421 0.582,422 1.894,423 0.642,424 3.069,425 1.426,426 0.519,427 0.65,429 1.24,430 0.468,431 1.747,432 0.39,433 3,434 1.341,435 0.383,436 0.556,438 0.953,439 0.366,440 0.825,441 -0.288,442 2.521,443 0.455,444 -0.516,445 -0.642,447 -1.243,448 -0.499,449 0.753,450 -0.656,451 2.199,452 0.304,453 -0.676,454 -0.936,456 -1.785,457 -0.654,458 0.573,459 -0.908,460 2.073,461 0.065,462 -0.914,463 -1.346,465 -2.347,466 -0.89,467 10.933,468 0.497,469 0.376,470 0.017,471 32.5,472 1.477,473 18.5,474 0.841,475 14,476 0.636,477 13.76,478 0.625,479 21.467,480 0.596,481 19.262,482 0.876,483 6.394,484 0.291,485 4.488,486 0.204,489 0.274,493 0.87,494 0.932,495 0.703,496 0.75,497 0.848,498 0.749,499 0.914,500 1.131,501 0.916,502 1.037,503 0.925,504 0.948,505 0.919,506 1.166,507 0.926,508 1.061,509 0.895,510 1.115,511 1.32,512 1.001,513 1.145,514 1.016,515 1.314,516 1.033,517 0.962,518 1.026,519 1.113,520 1.042,521 0.824,522 0.926,523 1.215,524 0.92,525 1.432,526 1.114,527 0.958,528 0.876,529 1.28,530 1.244,531 1.535,532 1.418,533 1.264,534 1.143,535 0.493,536 0.751,537 1.058,538 1.062,539 0.659,540 1.07,541 3.5,542 0.062,543 2,544 0.667,545 0.894,546 0.382,547 0.201,548 0.212,549 0.076,550 0.045,551 6023,552 15407,553 2.234,554 38.9,556 10,557 1,558 1,559 2,564 1.638,565 2.2,566 3.339,567 0.304,569 1,571 1,574 55.327,575 1.537,576 3.469,577 4.26,578 4.816,579 4.892,580 4.892,581 2.777,582 4.278,583 4.431,584 3.495,585 807.332,586 7.575,587 9097.63,589 1,590 1,591 1,592 186.117,593 0.845,594 4.433,595 0.14,596 0.005,597 0.059,598 0.023,599 0.037,600 0.017,601 0.009,602 0.012,603 0.005,604 0.003,605 0.311,606 0.17,607 1,609 102.821,610 0.058,611 0.105,612 0.06,613 0.094,614 -0.038,615 0.064,616 0.056,617 -0.102,618 -0.032,619 -0.126,620 -0.049,621 -0.09,622 -0.057,623 -0.224,624 -0.083,625 -0.159,626 -0.011,627 -0.172,628 -0.213,629 -0.002,630 -0.084,631 -0.004,632 -0.229,633 -0.047,634 0.01,635 -0.052,636 0.12,637 0.096,638 0.155,639 0.12,640 0.053,641 0.188,642 -0.017,643 0.102,644 0.169,645 0.099,646 -0.142,647 -0.178,648 -0.197,649 -0.242,650 -0.233,651 -0.177,652 0.253,653 0.149,654 -0.123,655 -0.083,656 0.152,657 -0.044,658 0.73,659 1.664,660 0.909,661 18.942,662 0.997,663 1.111,664 3.154,665 9.946,666 0.735,667 3.258,668 3.555,669 3.829,670 4.078,671 4.22,672 4.277,673 4.407,674 4.543,675 4.554,676 4.585,677 6.098,678 0.692,679 306.42,680 3.258,681 4.779,682 5.624,683 6.485,684 7.343,685 8.208,686 9.072,687 9.941,688 10.809,689 11.68,690 11.1,695 1,698 1,700 2,705 2,706 10,707 2,708 1,710 1,711 4,713 21,725 1,732 36,734 21,735 2,736 25,738 39,739 17,740 16,741 4,742 8,745 4,746 5,759 16,760 1,775 1,778 14,779 3,780 2,781 5,782 1,787 4,792 0.75,800 1,808 2,809 2,812 1,835 3,837 1,843 22,851 1,853 1,861 1,874 10,875 6.4,876 4.806,877 2.036,878 3.907,879 1.544,880 1.067,881 3.608,882 11.087,883 3.597,884 4.234,885 4.864,886 5.471,887 5.91,888 6.231,889 6.69,890 7.151,891 7.375,892 7.692,893 0.857,894 29,895 8.072,897 3.414,898 7.515,899 15.693,901 12.973,903 2.015,904 44.333,905 0.001,908 141.253,909 140.236,910 68.122,914 31.278,915 108.958,916 141.253,917 68.122,919 2.106,920 83.459,921 63.23,922 37.912,923 13.915,924 148.989,926 141.253,927 177.08,929 31.278,931 141.253,935 31.074,936 94.547,937 51.459,938 31.278,939 141.253,940 68.122,941 140.236,944 141.253,945 47.729,946 92.506,947 34.674,948 33.449,949 141.253,950 68.122,951 140.236,953 0.574,954 0.333,955 0.18,956 0.089,957 18,958 6,959 0.103,960 4,961 1,962 1.1,963 3.694,964 171.207,965 0.1,966 20,967 91.353,969 1,973 13.467,974 5.894,975 2.908,976 2.144,977 51.459,978 20.447,979 8.713,980 2.962,982 1.625,983 4.284,985 34.674,986 349.611,987 35.5,998 35.902,999 39.989,1000 0.297,1001 0.671,1002 0.824,1003 0.931,1004 0.946,1005 0.946,1006 4.79,1007 1.048,1008 5.572,1009 3.113,1010 4.234,1011 4.92,1012 0.623,1013 6.33,1014 4.146,1015 5.991,1016 1,1017 7.088,1018 2.376,1019 3.611,1020 4.559,1022 7.081,1023 3.503,1024 7.283,1025 0.722,1026 8.701,1027 2.136,1028 5.771,1029 7.161,1030 0.317,1031 10.164,1032 5.613,1033 8.616,1034 0.519,1035 10.374,1036 1.74,1037 6.043,1038 7.729,1040 11.781,1041 5.858,1042 9.982,1043 0.383,1044 12.086,1045 1.24,1046 7.583,1047 9.687,1048 0.149,1049 14.322,1050 7.368,1051 11.373,1052 -0.516,1053 13.825,1054 0.953,1055 8.267,1056 10.696,1058 16.286,1059 8.025,1060 12.781,1061 -0.676,1062 15.583,1063 -1.243,1064 9.546,1065 12.377,1066 0.067,1067 18.639,1068 9.281,1069 3.025,1070 -0.914,1071 17.355,1072 -1.785,1073 10.43,1074 13.611,1076 20.755,1077 10.14,1078 2.763,1079 9.635,1080 19.137,1081 -2.347,1082 11.594,1083 15.168,1084 0.03,1085 23.039,1086 11.283,1087 2.526,1088 8.708,1089 20.926,1090 4.392,1091 12.579,1092 16.515,1094 25.224,1095 12.243,1096 2.234,1097 7.099,1098 22.722,1099 3.843,1100 13.694,1101 18.017,1102 0.013,1103 27.483,1104 13.338,1105 1.538,1106 6.599,1107 24.523,1108 3.444,1109 14.728,1110 19.423,1112 29.701,1113 14.349,1114 1.533,1115 4.291,1116 26.328,1117 3.002,1118 15.824,1119 20.904,1120 0.006,1121 31.952,1122 15.425,1123 1.37,1124 3.811,1125 28.137,1126 2.301,1127 16.885,1128 22.34,1130 34.187,1131 16.464,1132 5521,1133 8961,1134 17.682,1135 26.478,1136 37.545,1137 37.32,1138 37.213,1139 37.228,1140 37.318,1141 52.703,1142 1.315,1143 103.403,1144 35.547,1145 5.297,1146 5.038,1147 6.107,1148 5.109,1149 5.025,1150 7.392,1151 1.315,1152 16.12,1153 4.957,1155 1.502,1156 1.493,1157 1.489,1158 1.489,1159 1.493,1160 2.108,1161 0.053,1162 4.136,1163 1.422,1164 4.112,1165 4.15,1166 4.238,1167 4.029,1168 5.104,1169 4.028,1170 3.92,1171 3.956,1172 4.017,1173 3.855,1174 4.85,1175 3.846,1176 3.774,1177 3.802,1178 3.824,1179 3.742,1180 4.736,1181 3.681,1182 3.332,1183 3.405,1184 3.29,1185 3.162,1186 4.309,1187 3.166,1188 3.171,1189 3.237,1190 3.094,1191 3.037,1192 3.974,1193 3.019,1194 2.927,1195 2.99,1196 2.835,1197 2.813,1198 3.752,1199 2.797,1200 2.854,1201 2.925,1202 2.687,1203 2.735,1204 3.674,1205 2.715,1206 2.655,1207 2.74,1208 2.521,1209 2.458,1210 3.479,1211 2.461,1212 0.179,1213 0.122,1214 0.252,1215 0.16,1216 0.121,1217 4.47,1218 0.176,1219 3.038,1220 0.026,1221 6.305,1222 0.385,1223 3.999,1224 0.118,1225 3.025,1226 4.392,1227 0.657,1228 9.635,1229 2.957,1230 1.949,1231 1.929,1232 2.04,1233 2.022,1234 1.173,1235 2.025,1236 1.91,1237 1.879,1238 2.024,1239 1.997,1240 1.152,1241 2.013,1242 1.396,1243 1.368,1244 1.56,1245 1.654,1246 0.711,1247 1.618,1248 1.355,1249 1.31,1250 1.468,1251 1.606,1252 0.584,1253 1.595,1254 1.301,1255 1.228,1256 1.393,1257 1.415,1258 0.407,1259 1.435,1260 1.028,1261 0.997,1262 1.181,1263 1.113,1264 0.294,1265 1.179,1266 0.886,1267 0.821,1268 1.091,1269 1.068,1270 0.218,1271 1.107,1272 0.843,1273 0.768,1274 1.047,1275 1.062,1276 0.071,1277 1.088,1278 3.932,1280 5.231,1281 3.045,1282 6.715,1283 5.283,1284 8.281,1285 7.273,1286 9.889,1294 0.786,1296 3.372,1305 24.907,1306 55.327,1307 124.898,1308 153.362,1309 173.362,1310 176.117,1311 176.117,1312 21.174,1313 7.18,1314 53.6,1315 81.84,1316 22,1317 12.223,1318 4.459,1319 3.524,1320 30.157,1321 81,1322 74,1323 0.182,1324 156.228,1325 248.37,1326 372.957,1327 13094,1329 14.778,1330 0.672,1331 0.573,1332 15.131,1333 12.6,1334 10.882,1335 0.435,1336 0.317,1337 7.062,1338 10.165,1339 6.833,1340 5.678,1341 11.336,1342 7.932,1343 9.545,1344 0.281,1345 0.174,1346 10.122,1347 5.907,1348 8.287,1349 0.184,1350 0.096,1351 8.945,1352 4.327,1353 6.918,1354 0.119,1355 0.053,1356 7.617,1357 3.082,1358 5.195,1359 0.078,1360 0.029,1361 5.758,1362 1.971,1363 0.29,1364 71.651,1365 0.238,1366 22.127,1367 0.484,1368 118,1369 302.816,1370 148.333,1371 326.119,1372 459.66,1373 308,1374 138,1375 336.006,1376 164.228,1377 359.15,1378 521.42,1379 338,1380 5.1}
{0 CHEMBL1682552,1 1.433,2 8.56,3 3.845,4 14.786,5 98.492,6 7.388,7 0.69,8 3.937,9 4.073,10 3.523,11 3.484,12 4.964,13 3.467,14 4.492,15 4.673,16 3.895,17 3.918,18 5.454,19 3.871,20 4.761,21 5.008,22 3.879,23 4.008,24 5.624,25 3.918,26 4.755,27 5.026,28 3.781,29 3.931,30 5.593,31 3.836,32 4.598,33 4.843,34 3.776,35 3.868,36 5.468,37 3.801,38 4.617,39 4.825,40 3.863,41 3.969,42 5.565,43 3.902,44 4.731,45 4.961,46 3.775,47 4.015,48 5.622,49 3.9,50 4.706,51 4.978,52 3.476,53 3.883,54 5.499,55 3.714,56 0.058,57 0.753,58 9.421,59 3.73,60 8.312,61 5.207,62 0.186,63 1.238,64 17.761,65 6.708,66 15.754,67 9.522,68 0.201,69 1.451,70 25.75,71 8.831,72 24.559,73 13.185,74 0.282,75 1.398,76 26.674,77 8.269,78 29.007,79 12.639,80 0.215,81 1.256,82 21.919,83 6.834,84 21.699,85 10.334,86 0.226,87 1.341,88 21.054,89 7.213,90 22.978,91 10.493,92 0.282,93 1.421,94 24.346,95 8.877,96 26.802,97 12.831,98 0.238,99 1.264,100 25.212,101 9.285,102 28.657,103 13.657,105 41,106 0.244,107 0.619,108 0.745,109 0.83,110 0.85,111 0.85,112 3.269,113 0.922,114 -4.18,115 -4.12,116 -3.9,119 42.2,121 5,127 1,142 4,143 2,145 2,146 1,151 1,152 1,153 1,162 1,168 1,172 8,174 3,175 4,178 1,180 4,183 8,188 5,191 1,193 5,196 4,200 10,203 1,205 5,213 8,218 2,221 3,224 1,225 7,228 1,233 10,237 1,238 3,241 2,242 1,246 13,249 1,250 1,253 1,258 7,263 3,268 3,271 2,275 908,276 17.654,277 17.654,278 17.654,279 17.654,280 17.654,281 15.423,282 9.487,283 10.544,284 17.989,285 14.391,286 14.391,287 14.391,288 14.391,289 14.391,290 11.011,291 17.5,292 5.063,293 14.975,294 4.059,295 1.851,296 1.111,297 0.611,298 0.489,299 0.489,300 3.988,303 1,304 1,305 1,306 488,307 2.236,310 94.047,311 176.466,314 171.152,318 1.258,319 12.916,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 214,332 4.681,333 3.31,334 6.866,335 4.206,336 3.265,337 4.621,338 0.4,339 11.5,340 3.089,341 4.407,342 2.922,343 6.22,344 3.889,345 2.916,346 4.349,348 9.323,349 2.825,350 3.854,351 2.614,352 5.916,353 3.473,354 2.507,355 3.373,357 8.164,358 2.427,359 3.557,360 2.439,361 5.437,362 3.4,363 2.436,364 2.744,366 7.182,367 2.334,368 3.235,369 1.935,370 5.04,371 2.82,372 1.877,373 2.392,375 5.639,376 1.768,377 3.047,378 1.548,379 4.513,380 2.518,381 1.548,382 2.32,384 4.366,385 1.507,386 3.034,387 1.534,388 4.338,389 2.501,390 1.534,391 2.3,393 4.064,394 1.474,395 2.757,396 1.476,397 3.699,398 2.411,399 1.435,400 1.88,402 3.099,403 1.397,404 2.551,405 1.266,406 3.609,407 2.222,408 1.264,409 1.57,411 2.89,412 1.207,413 2.455,414 1.052,415 3.472,416 2.002,417 1.041,418 1.449,420 2.399,421 1,422 2.116,423 1,424 3.401,425 2,426 1,427 1,429 2.136,430 0.998,431 2,432 0.793,433 3.247,434 1.669,435 0.735,436 0.984,438 1.891,439 0.685,440 1.894,441 0.399,442 3.034,443 1.365,444 0.399,445 0.595,447 0.99,448 0.384,449 1.152,450 0.034,451 2.796,452 0.87,453 -0.073,454 -0.086,456 -0.191,457 -0.069,458 0.806,459 -0.5,460 2.586,461 0.426,462 -0.547,463 -0.671,465 -1.405,466 -0.529,467 11.9,468 0.476,469 0.462,470 0.018,471 33.75,472 1.35,473 16.5,474 0.66,475 17.25,476 0.69,477 19.849,478 0.794,479 25.9,480 0.576,481 21.516,482 0.861,483 6.087,484 0.243,485 6.295,486 0.252,489 0.328,493 0.892,494 1.294,495 0.775,496 1.025,497 0.714,498 0.909,499 0.795,500 1.138,501 0.896,502 1.073,503 0.716,504 1.011,505 0.911,506 1.137,507 0.893,508 1.025,509 0.654,510 0.969,511 1.151,512 0.947,513 0.917,514 0.843,515 0.982,516 0.849,517 1.286,518 0.988,519 0.914,520 0.811,521 1,522 0.813,523 1.185,524 1.058,525 1.077,526 1.024,527 1.165,528 1.034,529 0.909,530 0.984,531 1.172,532 1.168,533 1.229,534 1.198,535 0.737,536 0.922,537 1.105,538 1.145,539 1.048,540 1.168,541 3.5,542 0.019,543 2.444,544 1.583,545 1.227,546 0.743,547 0.365,548 0.273,549 0.186,550 0.051,551 7343,552 15881,553 2.277,554 44.4,555 6,556 5,557 1,558 2,559 2,561 4,564 1.687,565 2.239,566 3.103,567 0.273,569 1,574 64.474,575 1.433,576 3.64,577 4.381,578 4.881,579 5.003,580 5.003,581 2.504,582 4.404,583 4.615,584 3.237,585 971.075,586 8.019,587 11459.3,589 1,591 1,592 247.133,593 0.904,594 4.616,595 0.121,596 0.003,597 0.06,598 0.041,599 0.035,600 0.021,601 0.009,602 0.008,603 0.008,604 0.003,605 0.308,606 0.5,607 0.88,609 117.972,610 0.057,611 -0.106,612 0.08,613 -0.017,614 0.138,615 0.025,616 0.188,617 -0.025,618 0.006,619 -0.083,620 0.175,621 -0.066,622 0.035,623 -0.159,624 0.078,625 -0.04,626 0.232,627 0.013,628 -0.063,629 0.017,630 0.091,631 0.109,632 0.041,633 0.118,634 -0.168,635 0.034,636 0.068,637 0.141,638 -0.042,639 0.136,640 -0.118,641 0.026,642 -0.144,643 -0.058,644 -0.128,645 -0.096,646 0.016,647 0.03,648 -0.23,649 -0.178,650 -0.219,651 -0.226,652 0.031,653 -0.019,654 -0.128,655 -0.128,656 -0.101,657 -0.145,658 0.942,659 1.798,660 0.96,661 19.373,662 0.995,663 1.131,664 2.952,665 8.712,666 0.675,667 3.401,668 3.738,669 4.078,670 4.407,671 4.654,672 4.787,673 4.997,674 5.193,675 5.268,676 5.357,677 5.375,678 0.64,679 332.45,680 3.401,681 4.949,682 5.826,683 6.72,684 7.616,685 8.521,686 9.425,687 10.335,688 11.245,689 12.158,690 13.3,695 1,698 2,700 3,705 3,706 7,707 3,708 1,711 3,713 20,725 1,732 45,734 20,735 1,736 29,738 49,739 19,740 13,741 3,742 3,745 5,746 7,754 6,757 6,759 13,760 6,775 1,778 20,779 4,780 2,781 6,784 1,787 6,792 0.6,800 1,803 1,808 2,809 3,812 2,835 3,843 25,851 5,853 1,856 1,874 11.167,875 7.967,876 5.389,877 2.979,878 4.143,879 1.53,880 1.064,881 3.673,882 11.957,883 3.689,884 4.35,885 5.043,886 5.725,887 6.281,888 6.73,889 7.262,890 7.789,891 8.107,892 8.554,893 0.833,894 39,895 9.231,897 4.014,898 7.453,899 18.25,901 15.766,903 1.953,904 48.833,907 1,908 211.88,909 91.994,910 86.194,915 91.994,916 211.88,917 86.194,919 12.673,920 46.952,921 91.787,922 48.174,923 13.915,924 176.567,926 211.88,927 178.188,931 164.795,932 47.084,935 55.088,936 54.855,937 68.245,939 211.88,940 86.194,941 91.994,944 211.88,945 26.946,946 66.334,947 34.674,948 50.234,949 211.88,950 86.194,951 91.994,953 0.578,954 0.346,955 0.2,956 0.109,957 23,958 8,959 0.061,960 3,961 2,962 1.167,963 3.797,964 225.41,965 0.167,966 24,967 112.096,973 14.912,974 6.158,975 2.687,976 2.849,977 68.245,978 13.89,979 13.341,980 3.002,983 3.072,985 34.674,986 390.068,987 39,998 44.796,999 50.896,1000 0.261,1001 0.663,1002 0.798,1003 0.889,1004 0.911,1005 0.911,1006 4.92,1007 1.435,1008 5.796,1009 4.064,1010 4.419,1011 5.037,1012 0.278,1013 6.629,1014 4.339,1015 6.128,1016 1.264,1017 7.356,1018 3.099,1019 3.892,1020 4.856,1022 7.545,1023 3.757,1024 7.444,1025 1.041,1026 9.02,1027 2.89,1028 6.019,1029 7.347,1030 0.05,1031 10.703,1032 5.851,1033 8.804,1034 1,1035 10.749,1036 2.399,1037 6.399,1038 8.109,1040 12.512,1041 6.166,1042 10.204,1043 0.735,1044 12.521,1045 2.136,1046 7.933,1047 10.01,1048 0.008,1049 15.165,1050 7.671,1051 11.633,1052 0.399,1053 14.323,1054 1.891,1055 8.735,1056 11.193,1058 17.334,1059 8.405,1060 13.084,1061 -0.073,1062 16.147,1063 0.99,1064 10.033,1065 12.86,1066 0.001,1067 19.828,1068 9.667,1069 3.265,1070 -0.547,1071 17.986,1072 -0.191,1073 11.03,1074 14.231,1076 22.147,1077 10.598,1078 2.916,1079 11.5,1080 19.838,1081 -1.405,1082 12.236,1083 15.804,1085 24.593,1086 11.761,1087 2.507,1088 9.323,1089 21.7,1090 4.621,1091 13.323,1092 17.255,1094 26.976,1095 12.785,1096 2.436,1097 8.164,1098 23.571,1099 4.349,1100 14.497,1101 18.791,1103 29.41,1104 13.909,1105 1.877,1106 7.182,1107 25.448,1108 3.373,1109 15.626,1110 20.277,1112 31.823,1113 14.977,1114 1.548,1115 5.639,1116 27.331,1117 2.744,1118 16.791,1119 21.799,1121 34.256,1122 16.089,1123 1.534,1124 4.366,1125 29.219,1126 2.392,1127 17.941,1128 23.301,1130 36.682,1131 17.179,1132 6653,1133 9971,1134 20.572,1135 30.364,1136 44.21,1137 43.873,1138 44.065,1139 43.936,1140 43.911,1141 59.156,1142 0.8,1143 127.284,1144 42.19,1145 5.681,1146 5.31,1147 6.668,1148 5.276,1149 5.265,1150 7.621,1151 0.8,1152 18.873,1153 5.089,1155 1.524,1156 1.513,1157 1.519,1158 1.515,1159 1.514,1160 2.04,1161 0.028,1162 4.389,1163 1.455,1164 4.167,1165 4.215,1166 4.14,1167 4.039,1168 5.156,1169 4.055,1170 4.018,1171 4.072,1172 3.985,1173 3.848,1174 5.058,1175 3.876,1176 3.844,1177 3.906,1178 3.704,1179 3.721,1180 4.479,1181 3.71,1182 3.456,1183 3.512,1184 3.391,1185 3.317,1186 4.324,1187 3.328,1188 3.245,1189 3.326,1190 3.131,1191 3.058,1192 4.175,1193 3.065,1194 3.111,1195 3.206,1196 2.949,1197 2.941,1198 3.978,1199 2.924,1200 3.095,1201 3.17,1202 2.866,1203 2.933,1204 3.757,1205 2.91,1206 2.921,1207 2.989,1208 2.801,1209 2.773,1210 3.694,1211 2.775,1212 0.161,1213 0.114,1214 0.237,1215 0.145,1216 0.113,1217 4.681,1218 0.159,1219 3.31,1220 0.014,1221 6.866,1222 0.397,1223 4.206,1224 0.107,1225 3.265,1226 4.621,1227 0.4,1228 11.5,1229 3.089,1230 1.956,1231 1.933,1232 2.097,1233 2.078,1234 1.477,1235 2.075,1236 1.879,1237 1.824,1238 2.023,1239 2.017,1240 1.178,1241 2.017,1242 1.809,1243 1.753,1244 1.911,1245 1.99,1246 0.965,1247 1.987,1248 1.395,1249 1.346,1250 1.544,1251 1.658,1252 0.825,1253 1.612,1254 1.307,1255 1.228,1256 1.513,1257 1.564,1258 0.81,1259 1.551,1260 1.153,1261 1.068,1262 1.464,1263 1.376,1264 0.523,1265 1.429,1266 1.14,1267 1.064,1268 1.347,1269 1.334,1270 0.406,1271 1.348,1272 0.923,1273 0.856,1274 1.124,1275 1.146,1276 0.207,1277 1.15,1278 4.078,1280 5.407,1281 3.045,1282 6.938,1283 5.416,1284 8.559,1285 7.535,1286 10.228,1294 6.365,1296 3.75,1299 0.505,1305 28.816,1306 64.474,1307 163.819,1308 197.159,1309 219.624,1310 225.133,1311 225.133,1312 26.747,1313 7.814,1314 70.9,1315 70.9,1316 28,1317 12.672,1318 4.392,1319 3.459,1320 31.82,1321 78,1322 81,1323 0.196,1324 173.405,1325 276.74,1326 414.867,1327 26766,1329 16.64,1330 0.666,1331 0.558,1332 16.64,1333 13.943,1334 12.382,1335 0.427,1336 0.307,1337 8.81,1338 11.967,1339 8.685,1340 7.184,1341 12.382,1342 8.915,1343 11.036,1344 0.269,1345 0.165,1346 11.036,1347 6.75,1348 9.909,1349 0.171,1350 0.087,1351 9.909,1352 5.063,1353 8.762,1354 0.108,1355 0.046,1356 8.762,1357 3.757,1358 7.207,1359 0.069,1360 0.026,1361 7.207,1362 2.68,1363 0.296,1364 77.055,1365 0.22,1366 23.787,1367 0.574,1368 140,1369 339.246,1370 151.906,1371 337.58,1372 487.46,1373 320,1374 169,1375 388.226,1376 182.627,1377 392.482,1378 581.16,1379 372,1380 5.6}
{0 CHEMBL1682553,1 1.471,2 7.409,3 2.713,4 7.362,5 86.645,6 7.694,7 0.8,8 3.772,9 3.91,10 3.387,11 3.298,12 4.887,13 3.296,14 4.276,15 4.461,16 3.761,17 3.692,18 5.337,19 3.673,20 4.457,21 4.676,22 3.732,23 3.764,24 5.465,25 3.713,26 4.503,27 4.757,28 3.671,29 3.735,30 5.432,31 3.67,32 4.366,33 4.578,34 3.636,35 3.699,36 5.357,37 3.65,38 4.463,39 4.679,40 3.608,41 3.769,42 5.469,43 3.681,44 4.488,45 4.741,46 3.397,47 3.691,48 5.403,49 3.55,50 4.354,51 4.658,52 2.996,53 3.42,54 5.135,55 3.227,56 0.046,57 0.649,58 7.419,59 2.901,60 8.163,61 3.973,62 0.172,63 1.019,64 13.738,65 4.913,66 15.54,67 6.919,68 0.167,69 1.137,70 17.672,71 5.795,72 20.699,73 8.467,74 0.22,75 1.124,76 19.977,77 6.21,78 24.269,79 9.306,80 0.17,81 1.048,82 15.872,83 4.997,84 17.058,85 7.242,86 0.193,87 1.117,88 17.591,89 6.224,90 24.266,91 8.886,92 0.243,93 1.056,94 19.423,95 7.06,96 26.651,97 10.216,98 0.19,99 0.824,100 18.859,101 6.66,102 24.15,103 10.001,104 7,105 36,106 0.259,107 0.669,108 0.798,109 0.844,110 0.844,111 0.844,112 3.149,113 0.87,114 -3.47,115 -3.45,116 -3.29,119 42.1,120 2,127 1,142 4,143 2,145 2,146 1,151 1,152 1,153 1,162 1,168 1,172 4,174 3,175 4,178 1,180 4,183 5,188 5,191 1,193 3,196 2,200 10,203 1,205 4,213 6,218 2,221 3,224 1,225 4,228 1,233 8,237 1,241 2,242 1,246 6,249 1,253 1,263 3,268 3,275 624,276 15.085,277 15.085,278 15.085,279 15.085,280 15.085,281 12.854,282 9.487,283 8.882,284 15.437,285 12.391,286 12.391,287 12.391,288 12.391,289 12.391,290 9.011,291 17.5,292 4.24,293 12.988,294 3.777,295 1.455,296 0.724,297 0.461,298 0.461,299 0.461,300 3.848,303 1,304 1,305 1,306 361,307 2.739,310 82.37,311 97.378,314 150.002,318 1.136,319 11.841,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47,331 163,332 4.68,333 3.306,334 6.864,335 4.204,336 3.263,337 4.621,338 0.4,339 11.492,340 3.087,341 4.407,342 2.92,343 6.22,344 3.888,345 2.915,346 4.349,348 9.322,349 2.822,350 3.853,351 2.458,352 5.916,353 3.401,354 2.444,355 3.373,357 8.163,358 2.334,359 3.422,360 2.39,361 5.24,362 3.184,363 2.235,364 2.712,366 6.297,367 2.116,368 3.049,369 1.793,370 4.532,371 2.691,372 1.744,373 2.321,375 4.62,376 1.652,377 3.034,378 1.548,379 4.509,380 2.518,381 1.547,382 2.3,384 4.365,385 1.507,386 3.014,387 1.534,388 4.333,389 2.497,390 1.534,391 2.077,393 4.047,394 1.464,395 2.751,396 1.268,397 3.616,398 2.222,399 1.265,400 1.87,402 2.89,403 1.208,404 2.525,405 1.053,406 3.492,407 2.002,408 1.041,409 1.537,411 2.396,412 0.998,413 2.124,414 0.781,415 3.399,416 1.655,417 0.722,418 0.983,420 1.833,421 0.672,422 1.894,423 0.399,424 3.034,425 1.364,426 0.399,427 0.595,429 0.989,430 0.384,431 1.083,432 -0.089,433 2.713,434 0.744,435 -0.195,436 -0.239,438 -0.513,439 -0.182,440 0.765,441 -0.611,442 2.4,443 0.334,444 -0.641,445 -0.852,447 -1.716,448 -0.621,449 0.66,450 -0.832,451 2.258,452 0.127,453 -0.835,454 -1,456 -2,457 -0.8,458 0.561,459 -0.927,460 2.101,461 0.044,462 -0.93,463 -1.243,465 -2.113,466 -0.905,467 10.4,468 0.473,469 0.538,470 0.024,471 31.75,472 1.443,473 16.5,474 0.75,475 15.25,476 0.693,477 15.292,478 0.695,479 22.6,480 0.595,481 20.467,482 0.93,483 6.112,484 0.278,485 4.608,486 0.209,487 0.096,489 0.375,493 0.921,494 1.339,495 0.748,496 1.027,497 0.894,498 0.891,499 0.833,500 1.07,501 0.762,502 0.917,503 0.739,504 0.844,505 1.121,506 1.167,507 0.956,508 1.01,509 0.891,510 0.967,511 1.085,512 0.954,513 0.857,514 0.813,515 0.972,516 0.803,517 1.408,518 1.087,519 1.101,520 0.955,521 1.042,522 0.978,523 1.051,524 1.074,525 1.188,526 1.18,527 1.174,528 1.2,529 0.728,530 0.918,531 1.167,532 1.213,533 1.148,534 1.248,535 0.511,536 0.834,537 0.941,538 1.069,539 0.736,540 1.07,541 4,543 2.444,544 1.646,545 1.236,546 0.848,547 0.416,548 0.336,549 0.162,550 0.049,551 4785,552 11763,553 2.176,554 42.1,556 5,557 1,558 2,559 2,561 6,564 1.652,565 2.063,566 2.925,567 0.348,568 1,569 1,571 1,574 55.911,575 1.471,576 3.793,577 4.524,578 4.787,579 4.787,580 4.787,581 2.244,582 4.278,583 4.432,584 3.068,585 708.695,586 7.647,587 7601.44,588 1,589 1,590 1,591 1,592 199.421,593 1.322,594 4.403,595 0.16,597 0.068,598 0.048,599 0.039,600 0.027,601 0.014,602 0.015,603 0.012,604 0.006,605 0.39,606 0.67,607 1,608 0.923,609 98.66,610 0.026,611 -0.16,612 0.069,613 -0.05,614 -0.069,615 0.004,616 0.198,617 0.04,618 0.128,619 0.043,620 0.169,621 0.069,622 -0.096,623 -0.131,624 -0.019,625 -0.052,626 0.02,627 -0.029,628 -0.057,629 0.016,630 0.136,631 0.15,632 0.028,633 0.168,634 -0.321,635 -0.014,636 -0.178,637 -0.015,638 -0.13,639 -0.065,640 -0.115,641 -0.047,642 -0.269,643 -0.204,644 -0.152,645 -0.249,646 0.111,647 0.014,648 -0.198,649 -0.209,650 -0.189,651 -0.243,652 0.218,653 -0.034,654 0.106,655 -0.029,656 0.165,657 0.013,658 1.031,659 1.686,660 0.818,661 15.215,662 1.001,663 1.133,664 2.239,665 5.011,666 0.68,667 3.258,668 3.611,669 3.932,670 4.277,671 4.511,672 4.644,673 4.804,674 4.956,675 4.97,676 4.997,677 4.847,678 0.652,679 292.38,680 3.258,681 4.812,682 5.687,683 6.592,684 7.491,685 8.403,686 9.311,687 10.226,688 11.138,689 12.054,690 15.8,695 1,698 2,700 3,705 3,706 7,707 3,708 1,711 3,713 20,725 1,732 38,734 20,735 1,736 25,738 41,739 16,740 13,741 3,742 3,745 4,746 6,751 2,757 1,759 13,760 3,774 1,775 1,778 16,779 4,780 2,781 6,784 1,787 6,792 0.5,800 1,803 1,808 2,809 2,812 2,835 2,839 2,843 22,853 1,856 1,874 10.667,875 7.467,876 4.722,877 2.313,878 4.101,879 1.559,880 1.042,881 3.085,882 11.436,883 3.584,884 4.284,885 4.99,886 5.692,887 6.25,888 6.698,889 7.219,890 7.737,891 8.039,892 8.474,893 0.8,894 34,895 8.068,897 3.436,898 7.561,899 15.582,901 12.91,903 2.061,904 45.333,908 164.795,909 96.971,910 86.194,915 96.971,916 164.795,917 86.194,918 17.65,920 46.952,921 91.787,922 48.174,923 13.915,924 129.482,926 164.795,927 183.166,931 94.169,932 70.627,935 60.066,936 54.855,937 68.245,939 164.795,940 86.194,941 96.971,944 164.795,945 14.274,946 83.984,947 34.674,948 50.234,949 164.795,950 86.194,951 96.971,953 0.584,954 0.338,955 0.201,956 0.115,957 20,958 8,959 0.073,960 3,961 2,962 1.222,963 3.423,964 185.538,965 0.222,966 18,967 96.107,973 13.286,974 5.109,975 2.273,976 2.773,977 68.245,978 13.615,979 13.098,980 2.968,983 2.902,985 34.674,986 347.961,987 35,998 38.029,999 43.066,1000 0.28,1001 0.723,1002 0.862,1003 0.912,1004 0.912,1005 0.912,1006 4.812,1007 1.265,1008 5.68,1009 4.047,1010 4.29,1011 4.97,1012 0.278,1013 6.532,1014 4.199,1015 6.051,1016 1.041,1017 7.256,1018 2.89,1019 3.892,1020 4.856,1022 7.496,1023 3.757,1024 7.38,1025 0.722,1026 8.935,1027 2.396,1028 5.911,1029 7.32,1030 0.05,1031 10.643,1032 5.725,1033 8.753,1034 0.399,1035 10.676,1036 1.833,1037 6.365,1038 8.103,1040 12.475,1041 6.127,1042 10.161,1043 -0.195,1044 12.457,1045 0.989,1046 7.849,1047 9.999,1048 0.008,1049 15.131,1050 7.567,1051 11.597,1052 -0.641,1053 14.267,1054 -0.513,1055 8.694,1056 11.19,1058 17.311,1059 8.356,1060 13.054,1061 -0.835,1062 16.097,1063 -1.716,1064 9.97,1065 12.857,1066 0.001,1067 19.808,1068 9.587,1069 3.263,1070 -0.93,1071 17.943,1072 -2,1073 10.992,1074 14.229,1076 22.133,1077 10.551,1078 2.915,1079 11.492,1080 19.801,1081 -2.113,1082 12.191,1083 15.802,1085 24.58,1086 11.701,1087 2.444,1088 9.322,1089 21.668,1090 4.621,1091 13.292,1092 17.254,1094 26.965,1095 12.745,1096 2.235,1097 8.163,1098 23.543,1099 4.349,1100 14.464,1101 18.79,1103 29.4,1104 13.865,1105 1.744,1106 6.297,1107 25.424,1108 3.373,1109 15.6,1110 20.276,1112 31.813,1113 14.944,1114 1.547,1115 4.62,1116 27.31,1117 2.712,1118 16.766,1119 21.798,1121 34.246,1122 16.056,1123 1.534,1124 4.365,1125 29.201,1126 2.321,1127 17.919,1128 23.3,1130 36.671,1131 17.152,1132 4518,1133 7223,1134 17.107,1135 25.841,1136 38.709,1137 38.193,1138 38.95,1139 38.219,1140 38.22,1141 53.478,1142 0.8,1143 112.83,1144 36.489,1145 5.461,1146 5.306,1147 6.545,1148 5.273,1149 5.263,1150 7.621,1151 0.8,1152 18.865,1153 5.087,1154 8.155,1155 1.548,1156 1.528,1157 1.558,1158 1.529,1159 1.529,1160 2.139,1161 0.032,1162 4.513,1163 1.46,1164 4.164,1165 4.211,1166 4.138,1167 4.036,1168 5.156,1169 4.053,1170 4.016,1171 4.071,1172 3.984,1173 3.84,1174 5.058,1175 3.872,1176 3.627,1177 3.706,1178 3.479,1179 3.459,1180 4.482,1181 3.451,1182 3.434,1183 3.491,1184 3.355,1185 3.294,1186 4.317,1187 3.302,1188 3.17,1189 3.239,1190 3.071,1191 3.011,1192 4.154,1193 3.017,1194 2.925,1195 3.009,1196 2.806,1197 2.778,1198 3.926,1199 2.78,1200 2.874,1201 2.993,1202 2.743,1203 2.618,1204 3.754,1205 2.604,1206 2.824,1207 2.912,1208 2.499,1209 2.57,1210 3.467,1211 2.57,1212 0.187,1213 0.132,1214 0.275,1215 0.168,1216 0.131,1217 4.68,1218 0.185,1219 3.306,1220 0.016,1221 6.864,1222 0.46,1223 4.204,1224 0.123,1225 3.263,1226 4.621,1227 0.4,1228 11.492,1229 3.087,1230 1.953,1231 1.932,1232 2.03,1233 2.061,1234 1.186,1235 2.042,1236 1.834,1237 1.778,1238 1.946,1239 2.017,1240 1.104,1241 2.005,1242 1.637,1243 1.566,1244 1.878,1245 1.843,1246 0.937,1247 1.862,1248 1.336,1249 1.284,1250 1.468,1251 1.648,1252 0.533,1253 1.6,1254 1.297,1255 1.227,1256 1.417,1257 1.474,1258 0.469,1259 1.458,1260 0.953,1261 0.887,1262 1.401,1263 1.239,1264 0.406,1265 1.308,1266 0.934,1267 0.804,1268 1.139,1269 1.179,1270 0.211,1271 1.176,1272 0.859,1273 0.789,1274 1.054,1275 1.083,1276 0.027,1277 1.092,1278 3.932,1280 5.273,1281 3.045,1282 6.806,1283 5.416,1284 8.431,1285 7.535,1286 10.108,1288 4.22,1296 3.474,1299 0.302,1305 24.762,1306 55.911,1307 144.118,1308 171.911,1309 181.911,1310 181.911,1311 181.911,1312 22.318,1313 7.335,1314 70.9,1315 70.9,1316 22,1317 12.566,1318 4.392,1319 3.459,1320 29.666,1321 62,1322 56,1323 0.235,1324 152.021,1325 237.2,1326 362.691,1327 14032,1329 15.104,1330 0.687,1331 0.564,1332 15.104,1333 12.408,1334 10.72,1335 0.429,1336 0.29,1337 7.149,1338 10.296,1339 6.939,1340 5.816,1341 10.72,1342 7.253,1343 9.926,1344 0.276,1345 0.155,1346 9.926,1347 5.57,1348 8.322,1349 0.166,1350 0.071,1351 8.322,1352 3.543,1353 7.498,1354 0.106,1355 0.036,1356 7.498,1357 2.59,1358 6.157,1359 0.068,1360 0.02,1361 6.157,1362 1.765,1363 0.351,1364 67.084,1365 0.242,1366 21.144,1367 0.699,1368 122,1369 321.246,1370 133.906,1371 319.916,1372 459.58,1373 302,1374 147,1375 366.226,1376 160.294,1377 371.089,1378 547.06,1379 350,1380 5.5}
{0 CHEMBL1682558,1 1.597,2 10.034,3 3.356,4 11.259,5 111.013,6 7.676,7 0.636,8 4.059,9 4.181,10 3.667,11 3.586,12 5.143,13 3.582,14 4.613,15 4.788,16 4.014,17 3.992,18 5.652,19 3.972,20 4.827,21 5.039,22 4.001,23 4.12,24 5.805,25 4.048,26 4.876,27 5.118,28 3.942,29 4.118,30 5.774,31 4.02,32 4.869,33 5.126,34 3.944,35 4.089,36 5.726,37 4.001,38 4.808,39 5.022,40 4.019,41 4.13,42 5.785,43 4.051,44 4.896,45 5.123,46 4.032,47 4.156,48 5.875,49 4.066,50 4.878,51 5.121,52 3.891,53 4.059,54 5.842,55 3.96,56 0.058,57 0.866,58 9.994,59 4.479,60 7.303,61 5.726,62 0.282,63 1.398,64 20.086,65 7.192,66 21.645,67 9.376,68 0.408,69 1.643,70 26.741,71 9.894,72 35.834,73 13.187,74 0.295,75 1.657,76 28.813,77 10.448,78 35.278,79 14.797,80 0.377,81 1.576,82 29.558,83 9.961,84 31.569,85 14.473,86 0.388,87 1.609,88 25.731,89 9.89,90 31.684,91 13.71,92 0.326,93 1.746,94 28.601,95 10.895,96 32.574,97 15.226,98 0.374,99 1.644,100 29.431,101 10.384,102 41.721,103 14.392,104 2,105 46,106 0.265,107 0.605,108 0.737,109 0.827,110 0.836,111 0.836,112 3.409,113 0.893,114 -4.34,115 -4.27,116 -4.03,119 43.1,125 6,142 7,143 3,144 1,145 1,146 1,152 2,160 1,168 1,172 8,174 1,175 3,180 2,183 8,187 2,188 8,193 2,196 5,200 10,205 1,208 4,212 1,213 5,221 8,224 2,225 3,228 1,233 8,237 1,238 5,241 1,243 1,246 4,249 1,250 5,255 2,262 1,263 5,266 1,268 2,275 1582,276 20.223,277 20.223,278 20.223,279 20.223,280 20.223,281 17.814,282 13.2,283 12.029,284 20.783,285 16.329,286 16.329,287 16.329,288 16.329,289 16.329,290 12.715,291 13.238,292 5.748,293 17.224,294 4.075,295 2.024,296 1.224,297 0.681,298 0.627,299 0.627,300 4.123,304 1,305 1,306 651,307 2.55,310 142.621,311 255.411,314 109.726,318 1.486,319 23.083,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 291,332 4.615,333 3.274,334 6.911,335 4.215,336 3.248,337 4.444,338 0.86,339 11.635,340 3.143,341 4.368,342 2.926,343 6.186,344 3.87,345 2.89,346 4.2,347 0.8,348 9.211,349 2.831,350 3.976,351 2.898,352 5.854,353 3.555,354 2.595,355 3.564,357 8.047,358 2.495,359 3.549,360 2.846,361 5.361,362 3.425,363 2.501,364 2.927,366 6.996,367 2.301,368 3.538,369 2.428,370 5.172,371 3.126,372 2.178,373 2.762,375 6.176,376 2.052,377 3.389,378 2.195,379 5.032,380 2.997,381 2.051,382 2.496,384 5.999,385 1.926,386 3.034,387 2.07,388 4.423,389 2.517,390 1.534,391 2.301,393 4.232,394 1.507,395 2.763,396 1.534,397 4.343,398 2.417,399 1.523,400 1.852,402 3.88,403 1.361,404 2.619,405 1.475,406 3.792,407 2.231,408 1.315,409 1.676,411 3.113,412 1.19,413 2.5,414 1.256,415 3.632,416 2.093,417 1.136,418 1.5,420 2.635,421 1.084,422 2.485,423 1.137,424 3.427,425 2,426 1,427 1.484,429 2.275,430 1,431 2.346,432 1,433 3.414,434 1.952,435 1,436 1.271,438 2.159,439 0.946,440 2,441 0.867,442 3.247,443 1.802,444 0.859,445 1,447 2.136,448 0.808,449 1.901,450 0.743,451 3.139,452 1.529,453 0.588,454 0.674,456 1.413,457 0.55,458 1.679,459 0.412,460 3.028,461 1.352,462 0.387,463 0.546,465 0.958,466 0.372,467 13.619,468 0.47,469 0.568,470 0.02,471 37.75,472 1.302,473 18,474 0.621,475 19.75,476 0.681,477 23.239,478 0.801,479 30.781,480 0.604,481 28.119,482 0.97,483 7.666,484 0.264,485 6.61,486 0.228,487 0.021,489 0.316,491 1,493 0.703,494 1.198,495 0.719,496 1.089,497 0.534,498 0.941,499 1.124,500 0.984,501 0.946,502 0.874,503 0.672,504 0.867,505 0.987,506 0.973,507 1.039,508 0.982,509 0.85,510 1.015,511 0.708,512 1.014,513 0.96,514 1.051,515 0.682,516 1.048,517 0.669,518 0.763,519 0.841,520 0.803,521 0.415,522 0.834,523 0.571,524 0.86,525 0.906,526 0.995,527 0.494,528 1.014,529 0.587,530 1.019,531 0.926,532 1.14,533 0.629,534 1.108,535 0.889,536 1.035,537 1.04,538 1.088,539 0.857,540 1.088,541 4.5,542 0.139,543 3.111,544 1.444,545 1.447,546 0.781,547 0.593,548 0.492,549 0.258,550 0.153,551 11033,552 29337,553 2.215,554 43.1,556 19,558 2,559 1,564 1.727,565 2.148,566 3.299,567 -0.336,568 1,569 1,574 81.469,575 1.597,576 3.649,577 4.449,578 4.991,579 5.045,580 5.045,581 2.738,582 4.513,583 4.825,584 3.469,585 1408.59,586 8.447,587 18930.3,589 1,591 1,592 289.294,593 1.091,594 4.82,595 0.136,596 0.006,597 0.068,598 0.033,599 0.035,600 0.019,601 0.013,602 0.011,603 0.007,604 0.005,605 0.333,606 0.33,607 0.88,608 0.335,609 145.501,610 0.012,611 -0.138,612 0.075,613 -0.076,614 0.009,615 -0.007,616 -0.167,617 0.024,618 -0.053,619 0.083,620 -0.017,621 0.049,622 -0.082,623 0.014,624 -0.105,625 0.01,626 -0.018,627 -0.042,628 -0.042,629 -0.104,630 -0.024,631 -0.065,632 -0.014,633 -0.044,634 -0.027,635 0.061,636 0.114,637 0.154,638 0.018,639 0.163,640 0.101,641 0.055,642 -0.004,643 -0.001,644 0.054,645 -0.025,646 0.095,647 -0.099,648 -0.004,649 -0.147,650 0.042,651 -0.109,652 -0.033,653 -0.105,654 -0.07,655 -0.109,656 -0.015,657 -0.097,658 1.915,659 5.445,660 0.897,661 28.54,662 1.006,663 1.133,664 3.109,665 9.667,666 0.672,667 3.526,668 3.85,669 4.159,670 4.454,671 4.673,672 4.787,673 4.99,674 5.193,675 5.278,676 5.357,677 6.25,678 0.646,679 391.49,680 3.526,681 5.069,682 5.932,683 6.815,684 7.696,685 8.587,686 9.478,687 10.375,688 11.272,689 12.174,690 9.8,693 1,698 2,700 2,705 2,706 9,707 2,708 1,711 5,712 1,713 21,731 1,732 51,734 21,735 2,736 33,738 55,739 22,740 16,741 5,742 7,745 5,746 6,759 16,760 6,775 1,776 1,778 22,779 5,780 1,781 7,784 1,787 5,792 0.8,793 1,800 1,808 2,809 3,812 1,831 1,834 1,835 4,841 1,843 29,851 6,854 1,857 1,866 1,867 2,871 1,874 13.5,875 9.11,876 6.306,877 3.098,878 3.733,879 1.476,880 1.04,881 5.046,882 11.575,883 3.795,884 4.419,885 5.059,886 5.696,887 6.203,888 6.617,889 7.128,890 7.632,891 7.946,892 8.305,893 0.857,894 44,895 10.722,897 4.619,898 7.661,899 20.775,901 17.452,903 2.161,904 62.667,906 1,907 1,908 247.193,909 127.33,910 55.135,912 11,913 14.96,915 127.33,916 258.193,917 70.095,919 17.608,920 66.334,921 76.609,922 51.556,923 19.861,924 223.651,926 247.193,927 182.465,928 25.96,931 262.153,933 11,935 59.717,936 89.3,937 33.449,939 262.153,940 66.135,941 127.33,944 247.193,945 43.33,946 89.023,947 16.663,948 59.409,949 247.193,950 81.095,951 127.33,953 0.579,954 0.34,955 0.188,956 0.101,957 24,958 9,959 0.091,960 5,961 1,962 1.077,963 4.139,964 268.361,965 0.077,966 26,967 132.881,973 18.347,974 7.975,975 3.782,976 2.046,977 62.533,978 16.457,979 8.824,980 2.995,983 3.612,984 2.19,985 16.663,986 455.618,987 43.5,998 51.301,999 57.777,1000 0.282,1001 0.643,1002 0.784,1003 0.88,1004 0.889,1005 0.889,1006 5.026,1007 1.523,1008 5.9,1009 4.232,1010 4.533,1011 5.106,1012 1.235,1013 6.711,1014 4.438,1015 6.222,1016 1.315,1017 7.449,1018 3.88,1019 4.007,1020 4.856,1021 0.325,1022 7.612,1023 3.874,1024 7.526,1025 1.136,1026 9.102,1027 3.113,1028 6.116,1029 7.341,1030 0.938,1031 10.746,1032 5.95,1033 8.871,1034 1,1035 10.819,1036 2.635,1037 6.479,1038 8.013,1039 0.268,1040 12.558,1041 6.284,1042 10.253,1043 1,1044 12.581,1045 2.275,1046 7.999,1047 9.904,1048 0.732,1049 15.202,1050 7.775,1051 11.663,1052 0.859,1053 14.374,1054 2.159,1055 8.775,1056 10.999,1057 0.188,1058 17.386,1059 8.526,1060 13.093,1061 0.588,1062 16.191,1063 2.136,1064 10.062,1065 12.648,1066 0.57,1067 19.884,1068 9.785,1069 3.248,1070 0.387,1071 18.026,1072 1.413,1073 11.036,1074 13.942,1075 0.125,1076 22.222,1077 10.733,1078 2.89,1079 11.635,1080 19.876,1081 0.958,1082 12.231,1083 15.489,1084 0.438,1085 24.678,1086 11.901,1087 2.595,1088 9.211,1089 21.739,1090 4.444,1091 13.301,1092 16.877,1093 0.082,1094 27.08,1095 12.943,1096 2.501,1097 8.047,1098 23.611,1099 4.2,1100 14.465,1101 18.379,1102 0.334,1103 29.527,1104 14.078,1105 2.178,1106 6.996,1107 25.492,1108 3.564,1109 15.581,1110 19.812,1111 0.054,1112 31.955,1113 15.165,1114 2.051,1115 6.176,1116 27.38,1117 2.927,1118 16.737,1119 21.297,1120 0.252,1121 34.402,1122 16.291,1123 1.534,1124 5.999,1125 29.274,1126 2.762,1127 17.877,1128 22.751,1129 0.035,1130 36.843,1131 17.4,1132 10142,1133 16678,1134 23.057,1135 34.273,1136 49.978,1137 50.072,1138 50.284,1139 49.704,1140 49.612,1141 65.394,1142 3.32,1143 141.73,1144 47.129,1145 5.615,1146 5.274,1147 6.713,1148 5.318,1149 5.248,1150 7.444,1151 1.72,1152 18.858,1153 5.143,1154 7.271,1155 1.514,1156 1.517,1157 1.524,1158 1.506,1159 1.503,1160 1.982,1161 0.101,1162 4.295,1163 1.428,1164 4.144,1165 4.184,1166 4.11,1167 4.042,1168 8.201,1169 4.053,1170 3.972,1171 4.019,1172 3.933,1173 3.864,1174 5.106,1175 3.873,1176 3.821,1177 3.875,1178 3.74,1179 3.644,1180 4.921,1181 3.662,1182 3.733,1183 3.786,1184 3.644,1185 3.53,1186 4.624,1187 3.55,1188 3.329,1189 3.396,1190 3.223,1191 3.147,1192 4.546,1193 3.154,1194 3.228,1195 3.297,1196 3.106,1197 3.039,1198 4.321,1199 3.044,1200 3.111,1201 3.206,1202 2.866,1203 2.941,1204 4.008,1205 2.91,1206 2.933,1207 2.997,1208 2.824,1209 2.799,1210 3.768,1211 2.797,1212 0.14,1213 0.099,1214 0.209,1215 0.128,1216 0.098,1217 4.615,1218 0.135,1219 3.274,1220 0.026,1221 6.911,1222 0.353,1223 4.215,1224 0.095,1225 3.248,1226 4.444,1227 0.86,1228 11.635,1229 3.143,1230 1.976,1231 1.955,1232 2.051,1233 2.059,1234 1.283,1235 2.058,1236 1.874,1237 1.85,1238 1.972,1239 1.988,1240 1.198,1241 1.985,1242 1.752,1243 1.688,1244 1.96,1245 1.96,1246 1.066,1247 1.963,1248 1.529,1249 1.467,1250 1.739,1251 1.774,1252 1.002,1253 1.763,1254 1.313,1255 1.237,1256 1.513,1257 1.636,1258 0.825,1259 1.591,1260 1.265,1261 1.224,1262 1.465,1263 1.425,1264 0.555,1265 1.429,1266 1.153,1267 1.064,1268 1.342,1269 1.376,1270 0.406,1271 1.4,1272 1.088,1273 1.016,1274 1.319,1275 1.343,1276 0.347,1277 1.344,1278 4.205,1280 5.525,1281 3.045,1282 7.04,1283 5.352,1284 8.641,1285 7.413,1286 10.29,1290 13.445,1294 5.242,1297 5.449,1300 2.407,1305 32.946,1306 81.469,1307 186.093,1308 226.887,1309 254.539,1310 257.294,1311 257.294,1312 38.957,1313 7.841,1314 58.97,1315 58.97,1316 28,1317 12.696,1318 4.459,1319 3.524,1320 39.268,1321 100,1322 122,1323 0.178,1324 197.654,1325 329.86,1326 474.037,1327 26511,1328 2,1329 19.631,1330 0.677,1331 0.552,1332 18.761,1333 16.014,1334 14.276,1335 0.433,1336 0.298,1337 9.654,1338 13.61,1339 9.51,1340 7.78,1341 13.882,1342 9.825,1343 12.704,1344 0.276,1345 0.158,1346 12.082,1347 7.268,1348 11.121,1349 0.177,1350 0.086,1351 10.71,1352 5.43,1353 9.49,1354 0.112,1355 0.045,1356 9.339,1357 3.837,1358 7.642,1359 0.072,1360 0.025,1361 7.412,1362 2.612,1363 0.272,1364 90.117,1365 0.208,1366 27.26,1367 0.508,1368 158,1369 484.76,1370 174.09,1371 442.509,1372 608.79,1373 418,1374 188,1375 449.815,1376 205.141,1377 449.639,1378 660.54,1379 424,1380 5.1}
{0 CHEMBL1727312,1 1.496,2 5.75,3 2.335,4 5.451,5 61.741,6 8.087,7 0.667,8 3.391,9 3.501,10 3.038,11 3.019,12 4.564,13 3.008,14 3.846,15 3.969,16 3.392,17 3.392,18 5.034,19 3.361,20 4.162,21 4.341,22 3.536,23 3.534,24 5.304,25 3.499,26 4.154,27 4.358,28 3.354,29 3.399,30 5.369,31 3.348,32 3.997,33 4.218,34 3.029,35 3.226,36 5.16,37 3.139,38 3.596,39 3.821,40 2.427,41 2.829,42 4.665,43 2.684,44 3.168,45 3.438,46 1.674,47 2.339,48 3.989,49 2.115,50 2.554,51 2.915,52 0.441,53 1.458,54 2.996,55 1.12,56 0.023,57 0.37,58 4.368,59 2.074,60 3.845,61 2.491,62 0.058,63 0.577,64 7.225,65 3.508,66 8.372,67 4.384,68 0.105,69 0.804,70 11.903,71 4.82,72 16.974,73 6.06,74 0.191,75 0.777,76 12.941,77 4.652,78 25.149,79 5.778,80 0.169,81 0.613,82 12.03,83 4.543,84 31.414,85 5.602,86 0.094,87 0.393,88 7.965,89 3.316,90 20.449,91 4.223,92 0.044,93 0.253,94 5.486,95 2.328,96 10.279,97 3.239,98 0.027,99 0.131,100 3.585,101 1.341,102 5.304,103 2.052,104 2,105 25,106 0.292,107 0.491,108 0.611,109 0.77,110 0.851,111 0.901,112 2.857,113 0.851,114 -3.24,115 -3.23,116 -3.1,119 50,142 8,143 1,144 3,158 1,172 7,175 1,178 1,180 5,183 6,188 1,192 1,193 7,196 3,200 3,203 1,205 5,208 3,213 3,218 1,221 7,225 1,233 7,246 3,275 154,276 11.069,277 11.069,278 11.069,279 11.069,280 11.069,281 9.474,282 14.962,283 6.62,284 11.15,285 8.91,286 8.91,287 8.91,288 8.91,289 8.91,290 6.536,291 26.208,292 3.15,293 9.045,294 3.205,295 2.183,296 1.567,297 0.75,298 0.337,299 0.077,300 3.537,304 1,305 1,306 203,307 1.581,311 51.96,312 26.472,316 90.264,318 0.781,319 12.089,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 34,331 92,332 4.418,333 3.62,334 6.511,335 4.07,336 3.089,337 4.022,338 1.058,339 10.209,340 3.031,341 4.077,342 2.93,343 6.067,344 3.661,345 2.673,346 3.697,347 0.4,348 8.753,349 2.634,350 3.469,351 2.635,352 5.177,353 3.115,354 2.133,355 2.699,357 6.218,358 2.084,359 2.975,360 1.733,361 4.222,362 2.525,363 1.535,364 2.17,366 3.723,367 1.517,368 2.881,369 1.512,370 3.893,371 2.425,372 1.434,373 2.046,375 3.305,376 1.419,377 2.747,378 1.358,379 3.601,380 2.285,381 1.295,382 1.852,384 2.932,385 1.281,386 2.529,387 1.29,388 3.549,389 2.014,390 1,391 1.478,393 2.449,394 1.009,395 1.521,396 0.605,397 2.878,398 1.149,399 0.168,400 0.215,402 0.411,403 0.164,404 1.156,405 0.137,406 2.723,407 0.853,408 -0.109,409 -0.132,411 -0.281,412 -0.105,413 0.789,414 -0.186,415 2,416 0.319,417 -0.71,418 -1.014,420 -1.673,421 -0.72,422 0.606,423 -0.802,424 2,425 0.137,426 -0.86,427 -1.204,429 -2.079,430 -0.856,431 0.47,432 -0.842,433 1.748,434 0.011,435 -1,436 -1.466,438 -2.449,439 -1.014,440 0.211,441 -1.165,442 1.665,443 -0.222,444 -1.209,445 -1.723,447 -3.221,448 -1.193,449 -0.262,450 -1.39,451 1.231,452 -0.586,453 -1.6,454 -2.156,456 -4.542,457 -1.616,458 -0.5,459 -1.669,460 1.091,461 -0.97,462 -1.915,463 -2.222,465 -5.195,466 -1.793,467 7.633,468 0.477,469 0.329,470 0.021,471 24.75,472 1.547,473 14.5,474 0.906,475 10.25,476 0.641,477 7.983,478 0.499,479 15.767,480 0.606,481 14.87,482 0.929,483 5.023,484 0.314,485 2.82,486 0.176,487 0.044,489 0.328,493 0.771,494 1.009,495 0.716,496 0.801,497 0.566,498 0.746,499 0.553,500 1.275,501 0.822,502 1.105,503 0.549,504 1.024,505 0.971,506 1.198,507 0.899,508 1.031,509 0.843,510 0.965,511 1.319,512 1.01,513 1.105,514 0.99,515 1.167,516 0.996,517 1.523,518 0.739,519 1.124,520 0.863,521 1.647,522 0.927,523 1.196,524 0.876,525 1.265,526 1.119,527 1.489,528 1.207,529 0.532,530 0.959,531 1.199,532 1.24,533 0.748,534 1.319,535 0.102,536 0.759,537 0.837,538 0.98,539 0.166,540 1.017,541 2.5,543 1.778,544 1,545 1.109,546 0.268,547 0.109,548 0.015,551 1856,552 4944,553 2.174,554 38.5,556 8,559 2,564 1.559,565 2.087,566 2.594,567 0.39,571 1,574 38.886,575 1.496,576 2.518,577 3.133,578 3.95,579 4.364,580 4.624,581 1.805,582 3.328,583 3.98,584 2.602,585 312.203,586 6.732,587 2618.89,589 1,592 122.211,593 1.198,594 3.954,595 0.139,597 0.071,598 0.036,599 0.05,600 0.017,601 0.014,602 0.005,605 0.331,606 1,607 1,608 0.5,609 61.927,610 -0.098,611 0.048,612 0.02,613 0.082,614 -0.085,615 0.075,616 0.153,617 -0.269,618 -0.047,619 -0.207,620 0.033,621 -0.172,622 -0.008,623 -0.173,624 0.01,625 -0.122,626 -0.018,627 -0.069,628 -0.068,629 0.024,630 -0.113,631 -0.074,632 0.017,633 -0.086,634 -0.23,635 0.181,636 -0.077,637 0.133,638 -0.135,639 0.069,640 -0.168,641 -0.034,642 -0.234,643 -0.086,644 -0.185,645 -0.16,646 0.026,647 -0.156,648 -0.127,649 -0.165,650 -0.083,651 -0.175,652 0.278,653 0.012,654 0.441,655 0.173,656 0.187,657 0.3,658 1.743,659 4.917,660 0.938,661 7.172,662 1.003,663 1.11,664 2.008,665 4.034,666 0.712,667 2.944,668 3.258,669 3.555,670 3.829,671 4.078,672 4.143,673 4.22,674 4.248,675 4.263,676 4.248,677 3.602,678 0.687,679 210.25,680 2.944,681 4.466,682 5.323,683 6.201,684 7.074,685 7.957,686 8.835,687 9.719,688 10.599,689 11.483,690 7.7,697 1,698 1,706 8,711 4,713 12,720 1,725 1,732 26,734 13,735 2,736 18,738 28,739 13,740 12,741 4,742 8,743 1,745 3,746 6,759 13,763 1,768 1,772 1,775 1,778 10,779 3,780 2,781 3,787 2,792 0.333,793 1,809 2,810 1,814 2,835 1,843 16,853 2,867 3.8,870 1,874 7.667,875 4.583,876 3.5,877 1.479,878 2.589,879 1.398,880 1.056,881 2.065,882 9.09,883 3.258,884 3.85,885 4.425,886 4.982,887 5.514,888 5.656,889 6.024,890 6.366,891 6.692,892 6.988,893 0.75,894 28,895 5.888,897 2.544,898 7.771,899 11.173,901 9.243,903 2.271,904 36.333,905 0.003,908 94.169,909 91.97,910 36.022,912 25.145,915 91.97,916 119.314,917 36.022,919 18.011,920 75.81,921 29.85,922 29.467,924 94.169,926 94.169,927 127.992,928 25.145,931 94.169,932 25.145,935 36.022,936 91.97,939 94.169,940 61.166,941 91.97,944 94.169,945 16.16,946 75.81,947 36.022,948 25.145,949 94.169,950 61.166,951 91.97,953 0.577,954 0.346,955 0.197,956 0.11,957 14,958 5,961 2,962 1.267,963 2.824,964 116.008,965 0.267,966 15,967 62,973 9.278,974 3.56,975 1.559,977 61.166,978 15.135,983 3.23,985 36.022,986 247.306,987 25,992 11.917,996 -0.076,998 26.065,999 28.867,1000 0.318,1001 0.536,1002 0.667,1003 0.84,1004 0.928,1005 0.984,1006 4.466,1007 0.168,1008 5.293,1009 2.449,1010 3.932,1011 4.533,1012 1.27,1013 6.103,1014 3.9,1015 5.665,1016 -0.109,1017 6.845,1018 0.411,1019 3.434,1020 4.205,1022 6.986,1023 3.39,1024 6.963,1025 -0.71,1026 8.502,1027 -0.281,1028 5.509,1029 6.696,1030 1.27,1031 10.109,1032 5.438,1033 8.298,1034 -0.86,1035 10.222,1036 -1.673,1037 5.861,1038 7.192,1040 11.832,1041 5.776,1042 9.664,1043 -1,1044 11.982,1045 -2.079,1046 7.381,1047 9.133,1048 1.34,1049 14.437,1050 7.273,1051 11.054,1052 -1.209,1053 13.768,1054 -2.449,1055 8.137,1056 10.032,1058 16.491,1059 8.012,1060 12.462,1061 -1.6,1062 15.573,1063 -3.221,1064 9.418,1065 11.713,1066 1.423,1067 18.911,1068 9.274,1069 3.089,1070 -1.915,1071 17.39,1072 -4.542,1073 10.365,1074 12.823,1076 21.106,1077 10.203,1078 2.673,1079 10.209,1080 19.217,1081 -5.195,1082 11.544,1083 14.367,1084 1.51,1085 23.456,1086 11.364,1087 2.133,1088 8.753,1089 21.05,1090 4.022,1091 12.582,1092 15.592,1094 25.714,1095 12.382,1096 1.535,1097 6.218,1098 22.888,1099 3.697,1100 13.72,1101 17.062,1102 1.599,1103 28.038,1104 13.502,1105 1.434,1106 3.723,1107 24.731,1108 2.699,1109 14.8,1110 18.352,1112 30.325,1113 14.562,1114 1.295,1115 3.305,1116 26.577,1117 2.17,1118 15.923,1119 19.781,1120 1.69,1121 32.641,1122 15.667,1123 1,1124 2.932,1125 28.425,1126 2.046,1127 17.023,1128 21.108,1130 34.942,1131 16.748,1132 1804,1133 3020,1134 12.425,1135 18.512,1136 27.011,1137 27.812,1138 27.352,1139 26.666,1140 26.654,1141 36.358,1142 2.917,1143 76.003,1144 26.276,1145 5.241,1146 5.62,1147 6.197,1148 5.07,1149 5.089,1150 7.022,1151 2.117,1152 16.965,1153 5.031,1154 4.27,1155 1.501,1156 1.545,1157 1.52,1158 1.481,1159 1.481,1160 2.02,1161 0.162,1162 4.222,1163 1.46,1164 4.022,1165 4.054,1166 3.978,1167 3.931,1168 7.429,1169 3.938,1170 3.795,1171 3.824,1172 3.73,1173 3.744,1174 4.836,1175 3.737,1176 3.314,1177 3.35,1178 3.254,1179 3.095,1180 4.643,1181 3.126,1182 3.071,1183 3.149,1184 2.963,1185 2.887,1186 3.994,1187 2.897,1188 2.842,1189 2.903,1190 2.716,1191 2.722,1192 3.904,1193 2.711,1194 2.698,1195 2.748,1196 2.575,1197 2.59,1198 3.603,1199 2.581,1200 2.599,1201 2.681,1202 2.446,1203 2.357,1204 3.42,1205 2.379,1206 2.023,1207 2.139,1208 1.793,1209 1.613,1210 3.222,1211 1.623,1212 0.245,1213 0.201,1214 0.362,1215 0.226,1216 0.172,1217 4.418,1218 0.223,1219 3.62,1220 0.059,1221 6.511,1222 0.567,1223 4.07,1224 0.168,1225 3.089,1226 4.022,1227 1.058,1228 10.209,1229 3.031,1230 1.915,1231 1.888,1232 2.015,1233 2.01,1234 1.11,1235 2.014,1236 1.871,1237 1.844,1238 1.976,1239 1.973,1240 1.059,1241 1.973,1242 1.207,1243 1.172,1244 1.349,1245 1.465,1246 0.339,1247 1.432,1248 1.043,1249 0.977,1250 1.254,1251 1.273,1252 0.303,1253 1.275,1254 0.85,1255 0.794,1256 1.101,1257 1.024,1258 0.174,1259 1.054,1260 0.785,1261 0.723,1262 1.072,1263 0.968,1264 0.128,1265 1.01,1266 0.343,1267 0.3,1268 0.67,1269 0.606,1271 0.622,1272 0.089,1274 0.58,1275 0.533,1277 0.554,1278 3.611,1280 4.92,1282 6.438,1283 2.708,1284 8.046,1285 5.38,1286 9.696,1296 6.127,1305 17.865,1306 38.886,1307 65.457,1308 81.457,1309 102.702,1310 113.457,1311 120.211,1312 17.846,1313 6.501,1314 48.65,1315 48.65,1316 19,1317 12.017,1318 3.807,1319 3,1320 21.588,1321 39,1322 22,1323 0.324,1324 110.384,1325 186.89,1326 261.096,1327 4976,1329 10.958,1330 0.685,1331 0.533,1332 10.958,1333 8.527,1334 7.843,1335 0.436,1336 0.284,1337 5.061,1338 7.654,1339 4.969,1340 4.128,1341 7.843,1342 5.109,1343 6.962,1344 0.278,1345 0.147,1346 6.962,1347 3.67,1348 6.045,1349 0.178,1350 0.077,1351 6.045,1352 2.616,1353 5.224,1354 0.116,1355 0.041,1356 5.224,1357 1.826,1358 4.384,1359 0.076,1360 0.022,1361 4.384,1362 1.262,1363 0.468,1364 48.454,1365 0.284,1366 15.539,1367 1.014,1368 86,1369 236.401,1370 92.322,1371 235.024,1372 326.84,1373 220,1374 102,1375 246.143,1376 108.517,1377 251.304,1378 368.16,1379 238,1380 5.1}
{0 CHEMBL173348,1 1.301,2 15.758,3 6.297,4 39.656,5 131.341,6 6.023,7 0.171,8 4.368,9 4.502,10 3.729,11 3.882,12 5.291,13 3.813,14 4.993,15 5.196,16 4.103,17 4.333,18 5.847,19 4.224,20 5.346,21 5.594,22 4.238,23 4.549,24 6.152,25 4.414,26 5.463,27 5.714,28 4.293,29 4.617,30 6.331,31 4.473,32 5.514,33 5.781,34 4.221,35 4.559,36 6.467,37 4.403,38 5.399,39 5.667,40 3.99,41 4.377,42 6.314,43 4.216,44 5.237,45 5.517,46 3.831,47 4.192,48 6.132,49 4.027,50 5.073,51 5.339,52 3.709,53 4.072,54 6.02,55 3.917,56 0.081,57 1.009,58 18.848,59 8.191,60 10.839,61 11.273,62 0.346,63 1.699,64 34.541,65 14.051,66 37.511,67 19.833,68 0.447,69 2.213,70 48.342,71 18.49,72 54.717,73 26.461,74 0.421,75 2.425,76 54.211,77 20.402,78 64.757,79 29.288,80 0.654,81 2.402,82 57.25,83 19.806,84 114.298,85 28.916,86 0.637,87 2.041,88 51.356,89 16.75,90 91.866,91 24.426,92 0.679,93 1.673,94 43.388,95 14.515,96 80.18,97 20.893,98 0.583,99 1.451,100 37.022,101 12.434,102 76.676,103 17.808,104 70,105 49,106 0.204,107 0.461,108 0.669,109 0.774,110 0.821,111 0.859,112 3.531,113 1.123,114 -6.53,115 -6.35,116 -5.89,119 36.8,120 4,121 10,122 3,123 1,125 1,127 1,142 3,143 2,144 1,158 2,172 22,174 1,175 5,178 1,180 2,183 28,188 6,192 1,193 3,196 27,200 10,205 6,208 19,213 12,216 1,218 7,221 14,225 7,230 4,233 13,237 1,238 6,241 1,243 2,246 14,250 4,253 1,258 15,262 1,263 3,266 1,268 1,271 14,275 2147,276 22.092,277 22.092,278 22.092,279 22.092,280 22.092,281 21.146,282 19.264,283 13.355,284 22.241,285 17.172,286 17.172,287 17.172,288 17.172,289 17.172,290 15.567,291 21.404,292 6.231,293 17.41,294 4.947,295 3.309,296 1.98,297 1.315,298 1.013,299 0.77,300 4.209,305 1,306 1090,307 4.95,310 147.035,311 83.459,313 119.094,314 127.499,317 177.292,318 2.4,319 36.846,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.67,328 0.5,329 0.71,330 70.5,331 520,332 4.899,333 4.107,334 8.216,335 4.805,336 3.806,337 4.247,338 2.443,339 16.067,340 3.803,341 4.014,342 3.707,343 6.705,344 3.87,345 2.883,346 3.398,347 1.907,348 10.54,349 2.844,350 3.937,351 3.481,352 6.215,353 3.653,354 2.686,355 3.012,356 0.286,357 8.777,358 2.602,359 3.693,360 2.975,361 5.48,362 3.377,363 2.39,364 2.926,365 0.149,366 7.203,367 2.332,368 3.378,369 2.654,370 5.315,371 3.043,372 2.039,373 2.574,375 5.789,376 2.032,377 3.045,378 2.231,379 4.929,380 2.91,381 1.91,382 2.084,384 5.433,385 1.907,386 2.916,387 1.926,388 4.762,389 2.851,390 1.866,391 1.916,393 4.545,394 1.828,395 2.751,396 1.781,397 4.559,398 2.656,399 1.656,400 1.827,402 3.806,403 1.653,404 2.682,405 1.713,406 3.91,407 2.471,408 1.481,409 1.679,411 3.575,412 1.464,413 2.5,414 1.57,415 3.756,416 2.335,417 1.337,418 1.474,420 3.271,421 1.327,422 2.327,423 1.393,424 3.66,425 2.282,426 1.279,427 1.316,429 2.497,430 1.279,431 2.104,432 1.091,433 3.311,434 1.893,435 0.903,436 1.057,438 2.247,439 0.892,440 1.883,441 1.017,442 3.178,443 1.843,444 0.843,445 0.864,447 1.585,448 0.841,449 1.392,450 0.951,451 2.983,452 1.356,453 0.368,454 0.373,456 0.677,457 0.359,458 1.386,459 0.742,460 2.853,461 1.241,462 0.355,463 0.361,465 0.55,466 0.313,467 15.733,468 0.477,469 0.833,470 0.025,471 28.75,472 0.871,473 9.5,474 0.288,475 19.25,476 0.583,477 44.609,478 1.352,479 39.467,480 0.519,481 20.581,482 0.624,483 4.124,484 0.125,485 11.715,486 0.355,487 0.191,488 0.032,489 0.286,493 0.757,494 1.328,495 1.028,496 1.276,497 0.667,498 1.196,499 0.577,500 1.196,501 0.957,502 1.168,503 0.531,504 1.118,505 0.86,506 1.002,507 0.946,508 1.001,509 0.787,510 0.985,511 0.894,512 1.142,513 0.969,514 1.115,515 0.902,516 1.061,517 1.079,518 1.089,519 1.006,520 1.062,521 1.099,522 1.027,523 1.539,524 1.009,525 1.148,526 1.016,527 1.387,528 1.028,529 1.353,530 0.884,531 0.992,532 0.905,533 1.156,534 0.909,535 1.522,536 0.891,537 1.072,538 0.898,539 1.611,540 0.93,541 6.5,542 0.16,543 3.778,544 3.771,545 2.626,546 1.296,547 0.78,548 0.446,549 0.315,550 0.232,551 15732,552 29498,553 1.969,554 56.6,555 31,556 6,559 2,560 3,561 1,564 1.747,565 1.808,566 3.78,567 0.102,574 98.907,575 1.301,576 2.939,577 4.268,578 4.933,579 5.235,580 5.478,581 3.34,582 4.84,583 4.999,584 4.038,585 2132,586 8.734,587 33441.7,592 474.842,593 1.645,594 4.947,595 0.186,596 0.007,597 0.077,598 0.069,599 0.047,600 0.026,601 0.021,602 0.014,603 0.011,604 0.009,605 0.466,606 0.17,607 0.75,608 2.623,609 178.773,610 -0.025,611 0.008,612 0.03,613 0.023,614 -0.034,615 0.032,616 0.157,617 -0.016,618 0.052,619 -0.006,620 0.087,621 0.006,622 0.002,623 0.069,624 0.049,625 0.059,626 -0.014,627 0.06,628 -0.002,629 -0.097,630 0.022,631 -0.067,632 0.003,633 -0.026,634 0.025,635 -0.094,636 0.002,637 -0.081,638 0.063,639 -0.047,640 -0.138,641 -0.043,642 -0.107,643 -0.076,644 -0.098,645 -0.084,646 0.031,647 0.028,648 0.031,649 0.027,650 -0.008,651 0.027,652 -0.054,653 0.043,654 -0.03,655 0.052,656 -0.076,657 0.018,658 1.853,659 5.828,660 0.364,661 46.312,662 0.986,663 1.132,664 5.296,665 28.05,666 0.616,667 3.584,668 3.912,669 4.234,670 4.575,671 4.836,672 5.004,673 5.165,674 5.252,675 5.236,676 5.226,677 8.672,678 0.565,679 457.72,680 3.584,681 5.13,682 5.999,683 6.913,684 7.829,685 8.77,686 9.712,687 10.668,688 11.625,689 12.59,690 1.3,697 1,706 3,711 3,713 6,732 76,734 8,735 1,736 35,738 78,739 28,740 6,741 3,742 3,745 3,746 6,751 5,752 1,753 1,754 1,755 2,757 11,759 8,760 20,761 3,763 2,768 2,772 2,778 43,779 5,780 2,781 5,787 1,792 0.333,793 4,794 1,808 2,809 1,811 1,812 1,815 1,822 1,825 1,833 1,835 1,839 4,843 33,850 1,851 11,853 1,854 1,856 4,858 1,867 5.3,868 1,870 2,872 1,874 18.25,875 14.283,876 7.556,877 5.496,878 1.347,879 1.172,880 0.891,881 9.268,882 9.198,883 3.714,884 4.167,885 4.627,886 5.167,887 5.664,888 5.963,889 6.341,890 6.642,891 6.753,892 6.835,893 1,894 55,895 12.431,897 5.32,898 7.664,899 24.494,901 20.933,903 2.164,904 71.417,908 482.615,909 112.585,910 18.011,912 103.973,915 112.585,916 586.588,917 18.011,918 35.301,919 43.356,920 71.112,921 62.186,922 22.614,924 482.615,926 482.615,927 130.596,928 103.973,931 470.844,932 73.061,933 42.683,935 78.657,936 51.939,939 482.615,940 121.984,941 112.585,944 482.615,945 48.856,946 63.73,947 18.011,948 103.973,949 482.615,950 121.984,951 112.585,953 0.569,954 0.339,955 0.189,956 0.107,957 21,958 11,959 0.179,960 14,961 2,962 1.333,963 4.331,964 293.947,965 0.333,966 12,967 161.71,973 26.066,974 11.733,975 5.583,977 121.984,978 5.793,983 2.726,985 60.694,986 717.184,987 40,992 25.27,996 -0.177,998 74.967,999 86.055,1000 0.208,1001 0.47,1002 0.683,1003 0.79,1004 0.838,1005 0.877,1006 4.994,1007 1.656,1008 6.019,1009 4.545,1010 4.595,1011 4.852,1012 2.838,1013 6.956,1014 4.57,1015 6.164,1016 1.481,1017 7.66,1018 3.806,1019 4.369,1020 4.732,1021 2.591,1022 8.381,1023 4.35,1024 7.482,1025 1.337,1026 9.435,1027 3.575,1028 6.312,1029 6.861,1030 4.156,1031 11.597,1032 6.27,1033 8.846,1034 1.279,1035 11.299,1036 3.271,1037 7.004,1038 7.589,1039 4.513,1040 13.958,1041 6.973,1042 10.259,1043 0.903,1044 13.225,1045 2.497,1046 8.477,1047 9.271,1048 5.694,1049 16.824,1050 8.436,1051 11.706,1052 0.843,1053 15.196,1054 2.247,1055 9.566,1056 10.371,1057 6.317,1058 19.479,1059 9.535,1060 13.181,1061 0.368,1062 17.199,1063 1.585,1064 10.911,1065 11.902,1066 7.34,1067 22.271,1068 10.879,1069 3.806,1070 0.355,1071 19.227,1072 0.677,1073 12.153,1074 13.175,1075 8.093,1076 25.011,1077 12.127,1078 2.883,1079 16.067,1080 21.273,1081 0.55,1082 13.474,1083 14.651,1084 9.045,1085 27.788,1086 13.45,1087 2.686,1088 10.54,1089 23.333,1090 4.247,1091 14.772,1092 16.008,1093 9.865,1094 30.553,1095 14.751,1096 2.39,1097 8.777,1098 25.404,1099 3.398,1100 16.095,1101 17.464,1102 10.784,1103 33.329,1104 16.076,1105 2.039,1106 7.203,1107 27.482,1108 3.012,1109 17.414,1110 18.862,1111 11.638,1112 36.102,1113 17.396,1114 1.91,1115 5.789,1116 29.567,1117 2.926,1118 18.742,1119 20.311,1120 12.543,1121 38.878,1122 18.725,1123 1.866,1124 5.433,1125 31.656,1126 2.574,1127 20.07,1128 21.731,1129 13.415,1130 41.653,1131 20.054,1132 15773,1133 21943,1134 22.364,1135 46.813,1136 51.795,1137 54.107,1138 55.665,1139 51.513,1140 51.604,1141 58.216,1142 9.57,1143 153.126,1144 50.953,1145 5.87,1146 6.107,1147 8.196,1148 5.866,1149 5.806,1150 7.247,1151 4.174,1152 24.738,1153 5.803,1154 20.519,1155 1.48,1156 1.546,1157 1.59,1158 1.472,1159 1.474,1160 1.663,1161 0.273,1162 4.375,1163 1.456,1164 4.125,1165 4.149,1166 4.071,1167 4.059,1168 7.433,1169 4.058,1170 3.824,1171 3.885,1172 3.687,1173 3.703,1174 7.427,1175 3.684,1176 3.732,1177 3.772,1178 3.631,1179 3.588,1180 6.456,1181 3.592,1182 3.663,1183 3.715,1184 3.524,1185 3.54,1186 4.811,1187 3.525,1188 3.622,1189 3.685,1190 3.47,1191 3.48,1192 4.369,1193 3.473,1194 3.519,1195 3.583,1196 3.36,1197 3.365,1198 4.24,1199 3.352,1200 3.316,1201 3.38,1202 3.136,1203 3.123,1204 4.147,1205 3.115,1206 3.266,1207 3.33,1208 3.105,1209 3.07,1210 4.103,1211 3.058,1212 0.14,1213 0.117,1214 0.235,1215 0.137,1216 0.109,1217 4.899,1218 0.121,1219 4.107,1220 0.07,1221 8.216,1222 0.459,1223 4.805,1224 0.109,1225 3.806,1226 4.247,1227 2.443,1228 16.067,1229 3.803,1230 1.933,1231 1.914,1232 2.072,1233 2.021,1234 1.431,1235 2.031,1236 1.823,1237 1.764,1238 2.052,1239 1.976,1240 1.388,1241 2.01,1242 1.779,1243 1.741,1244 1.976,1245 1.904,1246 1.305,1247 1.927,1248 1.71,1249 1.65,1250 1.946,1251 1.875,1252 1.278,1253 1.906,1254 1.547,1255 1.493,1256 1.821,1257 1.766,1258 1.112,1259 1.772,1260 1.51,1261 1.448,1262 1.745,1263 1.715,1264 0.95,1265 1.733,1266 1.396,1267 1.341,1268 1.652,1269 1.616,1270 0.878,1271 1.629,1272 1.306,1273 1.238,1274 1.623,1275 1.534,1276 0.83,1277 1.564,1278 4.263,1280 5.587,1281 3.045,1282 7.119,1283 5.638,1284 8.771,1285 7.947,1286 10.505,1288 8.637,1293 9.84,1294 11.312,1296 2.979,1297 5.698,1299 -0.293,1301 -0.368,1305 42.943,1306 98.907,1307 223.382,1308 324.358,1309 374.91,1310 397.849,1311 416.313,1312 106.574,1313 7.851,1314 75.63,1315 75.63,1316 16,1317 13.072,1318 3.17,1319 2.585,1320 65.054,1321 167,1322 243,1323 0.189,1324 265.318,1325 477.94,1326 639.136,1327 28099,1329 24.01,1330 0.728,1331 0.636,1332 24.01,1333 20.992,1334 15.839,1335 0.453,1336 0.374,1337 13.009,1338 15.434,1339 12.581,1340 10.551,1341 15.839,1342 13.104,1343 13.913,1344 0.284,1345 0.215,1346 13.913,1347 10.54,1348 11.575,1349 0.17,1350 0.119,1351 11.575,1352 8.125,1353 9.758,1354 0.102,1355 0.062,1356 9.758,1357 5.915,1358 8.021,1359 0.064,1360 0.034,1361 8.021,1362 4.245,1363 0.308,1364 98.119,1365 0.211,1366 31.408,1367 0.487,1368 168,1369 401.689,1370 180.239,1371 381.414,1372 514.15,1373 356,1374 201,1375 369.032,1376 211.858,1377 371.35,1378 549.74,1379 351,1380 6.485}
{0 CHEMBL17370,1 1.559,2 9.923,3 4.996,4 24.957,5 104.37,6 8.606,7 0.793,8 3.846,9 3.947,10 3.591,11 3.535,12 5.026,13 3.488,14 4.306,15 4.44,16 3.914,17 3.897,18 5.471,19 3.832,20 4.491,21 4.659,22 3.937,23 3.967,24 5.63,25 3.891,26 4.526,27 4.716,28 3.848,29 3.926,30 5.616,31 3.848,32 4.561,33 4.785,34 3.823,35 3.931,36 5.555,37 3.848,38 4.484,39 4.68,40 3.87,41 3.926,42 5.571,43 3.841,44 4.458,45 4.629,46 3.832,47 3.942,48 5.593,49 3.834,50 4.553,51 4.79,52 3.648,53 3.839,54 5.612,55 3.703,56 0.014,57 0.635,58 6.697,59 3.602,60 5.486,61 4.236,62 0.076,63 1.039,64 14.767,65 6.505,66 12.715,67 7.341,68 0.123,69 1.26,70 17.923,71 7.772,72 25.549,73 8.947,74 0.17,75 1.291,76 18.74,77 7.564,78 28.229,79 8.808,80 0.204,81 1.261,82 19.303,83 7.717,84 25.311,85 9.953,86 0.217,87 1.208,88 17.624,89 7.379,90 25.713,91 9.637,92 0.106,93 1.172,94 16.156,95 7.839,96 18.448,97 9.818,98 0.17,99 1.281,100 20.731,101 8.701,102 33.484,103 10.952,104 6,105 40,106 0.268,107 0.559,108 0.698,109 0.792,110 0.809,111 0.809,112 3.305,113 0.97,114 -5.8,115 -5.66,116 -5.27,119 50,124 1,142 10,143 3,144 2,145 2,146 1,152 1,161 1,172 10,175 4,178 1,180 2,183 11,188 6,193 5,196 7,200 6,205 4,208 7,216 1,218 2,221 14,224 1,225 2,230 1,233 18,238 3,246 12,250 4,258 6,263 2,271 4,275 1030,276 18.024,277 18.024,278 18.024,279 18.024,280 18.024,281 15.368,282 3.956,283 10.7,284 18.548,285 14.274,286 14.274,287 14.274,288 14.274,289 14.274,290 10.318,291 2.018,292 5.044,293 14.991,294 3.833,295 2.137,296 1.333,297 0.78,298 0.685,299 0.685,300 4.005,304 1,305 1,306 562,307 2.236,310 70.671,311 251.944,318 1.402,319 18.898,322 0.75,323 0.83,324 1,325 0.6,327 1,328 1,329 0.74,330 55,331 258,332 4.567,333 4.327,334 6.747,335 4.171,336 3.203,337 4.3,338 2.95,339 11.08,340 3.102,341 4.128,342 3.206,343 6.081,344 3.734,345 2.755,346 3.735,348 8.835,349 2.695,350 3.977,351 2.896,352 5.772,353 3.555,354 2.574,355 3.57,357 7.837,358 2.525,359 3.754,360 2.71,361 5.297,362 3.303,363 2.379,364 3.256,366 6.77,367 2.187,368 3.574,369 2.476,370 5.052,371 3.155,372 2.213,373 2.933,375 6.062,376 2.06,377 3.209,378 2.429,379 4.673,380 2.723,381 1.774,382 2.495,384 4.879,385 1.673,386 2.885,387 1.854,388 4.205,389 2.366,390 1.435,391 2.054,393 3.569,394 1.329,395 2.513,396 1.487,397 3.91,398 2.009,399 1.065,400 1.518,402 2.918,403 1,404 2.5,405 1.169,406 3.457,407 2,408 1,409 1.5,411 2.275,412 1,413 2.5,414 1,415 3.414,416 2,417 1,418 1.5,420 2.275,421 0.998,422 2.5,423 1,424 3.414,425 1.984,426 1,427 1.5,429 2.204,430 0.983,431 2.278,432 1,433 3.247,434 1.719,435 0.796,436 1.172,438 2.136,439 0.732,440 1.644,441 0.824,442 2.804,443 1.281,444 0.477,445 0.54,447 0.734,448 0.374,449 1.134,450 0.572,451 2.601,452 0.722,453 -0.189,454 -0.238,456 -0.424,457 -0.167,458 0.828,459 0.299,460 2.364,461 0.43,462 -0.498,463 -0.624,465 -0.998,466 -0.447,467 12.819,468 0.493,469 0.516,470 0.02,471 38.75,472 1.49,473 22.5,474 0.865,475 16.25,476 0.625,477 17.694,478 0.681,479 25.581,480 0.609,481 27.004,482 1.039,483 7.547,484 0.29,485 5.194,486 0.2,487 0.061,489 0.312,491 1,493 0.624,494 0.917,495 0.682,496 0.801,497 0.567,498 0.784,499 0.714,500 1.006,501 1.053,502 1.072,503 0.601,504 0.925,505 1.048,506 1.102,507 1.003,508 1.028,509 0.965,510 1.005,511 1.066,512 1.047,513 1.032,514 0.998,515 0.885,516 1.048,517 0.685,518 0.695,519 0.693,520 0.679,521 0.45,522 0.825,523 0.5,524 0.762,525 0.694,526 0.845,527 0.484,528 0.914,529 0.56,530 1.003,531 0.902,532 1.108,533 0.697,534 1.164,535 0.958,536 0.965,537 0.885,538 0.943,539 0.963,540 1.086,541 4.5,542 0.07,543 2.889,544 1.16,545 1.426,546 1.14,547 0.375,548 0.28,549 0.326,550 0.195,551 7722,552 22824,553 2.148,554 38.1,556 13,558 2,559 1,564 1.697,565 2.053,566 3.259,567 -0.37,574 65.484,575 1.559,576 3.255,577 4.06,578 4.612,579 4.708,580 4.708,581 2.724,582 4.085,583 4.665,584 3.403,585 1105.88,586 8.122,587 13579.8,589 1,592 226.477,593 1.239,594 4.65,595 0.155,596 0.005,597 0.072,598 0.029,599 0.039,600 0.031,601 0.01,602 0.008,603 0.012,604 0.01,605 0.372,606 0.33,607 0.88,608 0.646,609 125.644,610 -0.029,611 -0.029,612 0.053,613 0.045,614 -0.061,615 0.039,616 0.003,617 -0.079,618 -0.105,619 -0.11,620 0.026,621 -0.045,622 -0.101,623 -0.115,624 -0.113,625 -0.105,626 -0.042,627 -0.097,628 -0.161,629 -0.095,630 -0.193,631 -0.132,632 -0.122,633 -0.151,634 -0.04,635 0.122,636 0.057,637 0.137,638 -0.006,639 0.121,640 0.164,641 0.082,642 0.093,643 0.021,644 0.11,645 0.038,646 0.129,647 -0.135,648 -0.077,649 -0.194,650 0.037,651 -0.209,652 -0.057,653 -0.055,654 -0.011,655 -0.025,656 -0.046,657 -0.072,658 1.928,659 5.329,660 0.885,661 23.663,662 1.002,663 1.111,664 4.569,665 20.88,666 0.736,667 3.401,668 3.714,669 4.007,670 4.277,671 4.554,672 4.682,673 4.828,674 4.963,675 5.118,676 5.142,677 5.851,678 0.698,679 361.47,680 3.401,681 4.934,682 5.79,683 6.666,684 7.544,685 8.431,686 9.32,687 10.214,688 11.11,689 12.008,690 7.1,698 1,700 2,706 12,707 2,708 1,711 8,713 23,731 1,732 42,734 23,735 2,736 29,738 45,739 21,740 20,741 4,742 8,745 4,746 4,759 20,760 1,776 1,778 16,779 3,780 1,781 5,782 1,784 1,787 3,792 1,802 1,808 1,809 3,835 4,836 1,837 1,839 1,841 1,843 26,855 1,866 1,874 12.667,875 7.96,876 5.778,877 2.352,878 3.348,879 1.457,880 1.039,881 4.659,882 10.68,883 3.726,884 4.353,885 4.984,886 5.6,887 6.178,888 6.531,889 7.012,890 7.479,891 7.957,892 8.307,893 0.857,894 40,895 9.566,897 4.061,898 7.718,899 18.268,901 14.936,903 2.218,904 57.667,907 1,908 176.567,909 180.337,910 50.357,913 14.96,914 32.22,915 148.118,916 176.567,917 65.317,918 7.19,920 94.762,921 59.441,922 57.866,923 17.717,924 185.244,926 176.567,927 198.474,928 14.96,929 32.22,931 191.527,935 39.965,936 124.938,937 33.571,938 32.22,939 191.527,940 50.357,941 180.337,944 176.567,945 60.289,946 120.048,947 16.786,948 48.531,949 176.567,950 65.317,951 180.337,953 0.574,954 0.338,955 0.181,956 0.106,957 20,958 8,959 0.089,960 4,962 1,963 3.812,964 225.159,966 23,967 110.211,969 1,973 16.713,974 7.247,975 3.485,977 48.531,978 22.009,979 8.89,980 3.425,983 6.259,985 16.786,986 422.22,987 40.5,998 42.08,999 46.661,1000 0.289,1001 0.604,1002 0.753,1003 0.855,1004 0.873,1005 0.873,1006 4.933,1007 1.065,1008 5.759,1009 3.569,1010 4.394,1011 5.04,1012 2.913,1013 6.561,1014 4.31,1015 6.143,1016 1,1017 7.307,1018 2.918,1019 3.892,1020 4.691,1022 7.445,1023 3.763,1024 7.443,1025 1,1026 8.956,1027 2.275,1028 5.974,1029 7.249,1030 5.027,1031 10.555,1032 5.828,1033 8.783,1034 1,1035 10.667,1036 2.275,1037 6.33,1038 7.752,1040 12.31,1041 6.14,1042 10.153,1043 0.796,1044 12.419,1045 2.204,1046 7.843,1047 9.719,1048 7.185,1049 14.934,1050 7.643,1051 11.548,1052 0.477,1053 14.199,1054 2.136,1055 8.598,1056 10.641,1058 17.049,1059 8.359,1060 12.96,1061 -0.189,1062 16.001,1063 0.734,1064 9.88,1065 12.338,1066 9.348,1067 19.517,1068 9.626,1069 3.203,1070 -0.498,1071 17.82,1072 -0.424,1073 10.833,1074 13.49,1076 21.79,1077 10.543,1078 2.755,1079 11.08,1080 19.651,1081 -0.998,1082 12.021,1083 15.052,1084 11.511,1085 24.206,1086 11.712,1087 2.574,1088 8.835,1089 21.493,1090 4.3,1091 13.073,1092 16.333,1094 26.55,1095 12.729,1096 2.379,1097 7.837,1098 23.344,1099 3.735,1100 14.229,1101 17.83,1102 13.675,1103 28.951,1104 13.859,1105 2.213,1106 6.77,1107 25.202,1108 3.57,1109 15.33,1110 19.186,1112 31.326,1113 14.927,1114 1.774,1115 6.062,1116 27.067,1117 3.256,1118 16.477,1119 20.652,1120 15.838,1121 33.725,1122 16.045,1123 1.435,1124 4.879,1125 28.937,1126 2.933,1127 17.604,1128 22.049,1130 36.114,1131 17.139,1132 7361,1133 12768,1134 19.879,1135 30.932,1136 43.748,1137 46.831,1138 44.422,1139 43.343,1140 43.344,1141 60.145,1142 5.9,1143 123.15,1144 41.317,1145 5.265,1146 6.327,1147 6.549,1148 5.206,1149 5.203,1150 7.3,1151 5.9,1152 18.235,1153 5.102,1154 9.656,1155 1.509,1156 1.615,1157 1.532,1158 1.495,1159 1.495,1160 2.074,1161 0.203,1162 4.247,1163 1.425,1164 4.088,1165 4.124,1166 4.081,1167 3.994,1168 8.201,1169 4.001,1170 3.871,1171 3.894,1172 3.942,1173 3.838,1174 5.033,1175 3.818,1176 3.829,1177 3.865,1178 3.781,1179 3.744,1180 4.841,1181 3.745,1182 3.598,1183 3.652,1184 3.636,1185 3.447,1186 4.658,1187 3.454,1188 3.192,1189 3.263,1190 3.37,1191 3.154,1192 4.514,1193 3.05,1194 2.895,1195 2.942,1196 2.849,1197 2.745,1198 3.895,1199 2.749,1200 2.854,1201 2.925,1202 2.687,1203 2.735,1204 3.769,1205 2.715,1206 2.854,1207 2.925,1208 2.687,1209 2.735,1210 3.674,1211 2.715,1212 0.157,1213 0.149,1214 0.233,1215 0.144,1216 0.11,1217 4.567,1218 0.148,1219 4.327,1220 0.102,1221 6.747,1222 0.382,1223 4.171,1224 0.107,1225 3.203,1226 4.3,1227 2.95,1228 11.08,1229 3.102,1230 1.926,1231 1.902,1232 2.012,1233 2.019,1234 1.122,1235 2.018,1236 1.907,1237 1.886,1238 1.987,1239 1.982,1240 1.111,1241 1.992,1242 1.812,1243 1.78,1244 1.92,1245 1.918,1246 0.973,1247 1.924,1248 1.333,1249 1.282,1250 1.525,1251 1.555,1252 0.667,1253 1.552,1254 1.25,1255 1.211,1256 1.409,1257 1.415,1258 0.462,1259 1.459,1260 1.123,1261 1.043,1262 1.258,1263 1.349,1264 0.332,1265 1.335,1266 0.886,1267 0.821,1268 1.181,1269 1.062,1270 0.218,1271 1.107,1272 0.886,1273 0.821,1274 1.181,1275 1.062,1276 0.218,1277 1.107,1278 4.078,1280 5.389,1281 2.398,1282 6.903,1283 4.727,1284 8.5,1285 6.862,1286 10.141,1288 2.052,1290 13.329,1298 1.703,1305 29.322,1306 65.484,1307 136.729,1308 170.503,1309 193.722,1310 197.722,1311 197.722,1312 35.351,1313 7.332,1314 41.57,1315 66.87,1316 23,1317 12.532,1318 4.585,1319 3.644,1320 37.756,1321 89,1322 108,1323 0.208,1324 183.147,1325 307.36,1326 438.638,1327 13117,1328 2.4,1329 17.933,1330 0.69,1331 0.574,1332 17.416,1333 14.925,1334 12.742,1335 0.439,1336 0.323,1337 8.185,1338 11.911,1339 7.848,1340 6.527,1341 12.905,1342 9.376,1343 11.166,1344 0.279,1345 0.166,1346 11.037,1347 6.66,1348 9.757,1349 0.181,1350 0.091,1351 9.839,1352 4.897,1353 7.958,1354 0.112,1355 0.045,1356 8.128,1357 3.211,1358 6.686,1359 0.071,1360 0.023,1361 6.726,1362 2.201,1363 0.318,1364 84.208,1365 0.224,1366 24.817,1367 0.597,1368 138,1369 418.595,1370 166.323,1371 412.45,1372 566.74,1373 388,1374 163,1375 406.231,1376 185.628,1377 422.983,1378 616,1379 398,1380 5.1}
{0 CHEMBL175845,1 1.453,2 15.6,3 5.984,4 35.809,5 177.941,6 7.529,7 0.596,8 4.482,9 4.601,10 4.081,11 4.075,12 5.54,13 4.052,14 5.04,15 5.21,16 4.476,17 4.51,18 6.058,19 4.471,20 5.303,21 5.506,22 4.549,23 4.676,24 6.271,25 4.605,26 5.402,27 5.625,28 4.563,29 4.71,30 6.414,31 4.621,32 5.411,33 5.643,34 4.595,35 4.692,36 6.411,37 4.615,38 5.365,39 5.564,40 4.639,41 4.697,42 6.451,43 4.641,44 5.416,45 5.619,46 4.632,47 4.722,48 6.517,49 4.662,50 5.403,51 5.605,52 4.557,53 4.704,54 6.482,55 4.628,56 0.058,57 1.179,58 15.486,59 6.959,60 9.664,61 9.135,62 0.311,63 2.024,64 30.11,65 11.537,66 27.269,67 15.645,68 0.338,69 2.504,70 41.774,71 16.25,72 36.535,73 22.071,74 0.496,75 2.712,76 47.754,77 18.622,78 77.209,79 25.88,80 0.576,81 2.719,82 49.358,83 18.518,84 61.429,85 25.711,86 0.447,87 2.611,88 45.068,89 17.185,90 58.283,91 23.074,92 0.512,93 2.73,94 48.205,95 17.776,96 80.422,97 23.459,98 0.504,99 2.662,100 47.619,101 17.954,102 86.482,103 23.543,104 10,105 76,106 0.217,107 0.514,108 0.654,109 0.785,110 0.855,111 0.878,112 3.832,113 0.901,114 -5.41,115 -5.29,116 -4.94,119 46.8,121 1,124 1,125 6,136 2,142 15,143 5,144 1,146 1,151 1,152 2,158 2,166 1,172 20,175 13,178 2,180 2,183 24,187 1,188 15,193 1,196 20,199 3,200 12,203 1,205 2,208 20,212 4,213 9,216 2,218 2,221 24,224 3,225 12,230 4,233 24,237 2,238 16,243 5,246 23,249 1,250 16,255 2,258 22,262 1,263 14,266 1,268 2,271 18,275 4646,276 31.223,277 31.223,278 31.223,279 31.223,280 31.223,281 27.353,282 27.146,283 18.235,284 31.65,285 25.734,286 25.734,287 25.734,288 25.734,289 25.734,290 19.66,291 29.119,292 8.692,293 26.405,294 4.851,295 2.856,296 1.918,297 1.036,298 0.567,299 0.415,300 4.564,306 1600,307 3.391,310 275.43,311 567.094,314 330.617,315 175.803,318 2.418,319 34.29,322 0.5,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.72,330 95,331 702,332 4.834,333 3.839,334 7.194,335 4.426,336 3.437,337 4.735,338 1.2,339 12.689,340 3.4,341 4.667,342 3.342,343 6.872,344 4.2,345 3.231,346 4.625,347 0.8,348 11.507,349 3.132,350 4.432,351 3.264,352 6.601,353 3.984,354 3.002,355 4.325,356 0.8,357 10.488,358 2.946,359 4.333,360 3.172,361 6.21,362 3.857,363 2.862,364 3.95,365 0.8,366 9.27,367 2.841,368 3.787,369 2.944,370 5.99,371 3.54,372 2.618,373 3.262,375 8.31,376 2.411,377 3.623,378 2.903,379 5.683,380 3.383,381 2.406,382 2.883,384 7.291,385 2.344,386 3.552,387 2.554,388 5.414,389 3.194,390 2.211,391 2.75,393 7.15,394 2.177,395 3.421,396 2.487,397 5.334,398 3.063,399 2.115,400 2.634,402 6.279,403 2.019,404 3.341,405 2.356,406 5.054,407 2.975,408 2.016,409 2.612,411 5.703,412 1.914,413 3.149,414 2.127,415 4.889,416 2.9,417 1.916,418 2.427,420 5.59,421 1.864,422 3.118,423 1.93,424 4.816,425 2.674,426 1.648,427 2.367,429 4.773,430 1.677,431 3.105,432 1.618,433 4.564,434 2.618,435 1.618,436 2.307,438 4.464,439 1.618,440 3.078,441 1.579,442 4.416,443 2.563,444 1.579,445 2.109,447 4.141,448 1.552,449 2.862,450 1.452,451 4.311,452 2.362,453 1.366,454 2.035,456 3.587,457 1.36,458 2.838,459 1.368,460 3.762,461 2.325,462 1.33,463 1.913,465 2.983,466 1.32,467 21.567,468 0.479,469 1.055,470 0.023,471 60.5,472 1.344,473 30.5,474 0.678,475 30,476 0.667,477 42.921,478 0.954,479 45.633,480 0.578,481 55.22,482 1.227,483 11.974,484 0.266,485 10.073,486 0.224,487 0.054,489 0.376,493 0.69,494 1.245,495 0.746,496 0.998,497 0.525,498 0.896,499 0.918,500 1.054,501 0.875,502 0.863,503 0.528,504 0.849,505 1.006,506 0.994,507 0.952,508 0.945,509 0.812,510 0.935,511 0.708,512 1.016,513 0.896,514 0.991,515 0.559,516 0.965,517 0.838,518 0.894,519 0.807,520 0.863,521 0.854,522 0.833,523 1.138,524 1.043,525 0.89,526 0.963,527 1.213,528 0.907,529 1.472,530 0.964,531 1.007,532 0.926,533 1.569,534 0.914,535 1.529,536 1.022,537 1.111,538 1.004,539 1.747,540 1.015,541 7,542 0.399,543 5.111,544 3.91,545 2.617,546 1.88,547 1.461,548 0.991,549 0.693,550 0.515,551 37607,552 82517,553 2.226,554 43,556 30,557 1,559 1,562 2,564 1.832,565 2.126,566 3.86,567 -0.451,574 114.765,575 1.453,576 3.448,577 4.386,578 5.267,579 5.737,580 5.889,581 3.369,582 4.825,583 5.455,584 4.028,585 3988.09,586 9.702,587 71874.7,592 497.999,593 1.262,594 5.442,595 0.135,596 0.006,597 0.067,598 0.049,599 0.033,600 0.023,601 0.017,602 0.012,603 0.009,604 0.007,605 0.358,606 0.17,607 0.75,608 0.383,609 259.739,610 0.047,611 -0.124,612 0.079,613 -0.031,614 -0.011,615 0.014,616 0.004,617 0.068,618 0.026,619 0.078,620 0.057,621 0.062,622 -0.072,623 0.046,624 -0.006,625 0.028,626 -0.003,627 0.023,628 0.164,629 -0.013,630 0.073,631 -0.005,632 0.224,633 0.02,634 0.187,635 0.11,636 0.189,637 0.115,638 0.123,639 0.147,640 0.057,641 -0.02,642 0.083,643 0.008,644 0.061,645 0.043,646 -0.122,647 0.061,648 -0.016,649 0.036,650 -0.055,651 0.027,652 -0.186,653 -0.017,654 -0.124,655 -0.031,656 -0.157,657 -0.065,658 2.078,659 6.604,660 0.867,661 61.66,662 0.995,663 1.117,664 4.18,665 17.471,666 0.691,667 3.97,668 4.344,669 4.71,670 5.075,671 5.371,672 5.549,673 5.802,674 6.028,675 6.207,676 6.375,677 8.645,678 0.657,679 594.77,680 3.97,681 5.549,682 6.444,683 7.361,684 8.277,685 9.203,686 10.13,687 11.063,688 11.996,689 12.934,690 7.6,693 2,697 1,698 2,700 1,705 6,706 16,707 1,711 3,712 2,713 31,732 79,734 34,735 4,736 52,738 86,739 37,740 25,741 7,742 15,743 4,745 8,746 11,757 1,759 29,760 8,763 3,768 2,772 4,778 34,779 6,780 1,781 8,787 6,789 1,792 0.625,793 2,800 1,804 1,808 3,809 5,812 2,813 1,828 2,831 2,835 5,839 1,843 45,851 7,853 1,857 2,867 2.5,870 2,874 21.167,875 14.667,876 9.611,877 4.968,878 6.497,879 1.645,880 1.068,881 7.101,882 16.576,883 4.27,884 4.942,885 5.649,886 6.352,887 6.975,888 7.45,889 8.026,890 8.575,891 9.029,892 9.503,893 0.909,894 80,895 16.758,897 7.448,898 7.581,899 32.6,901 28.22,903 2.081,904 93.667,908 388.446,909 213.816,910 44.598,912 50.29,915 213.816,916 438.736,917 44.598,918 8.396,919 33.18,920 151.191,921 76.362,922 35.286,923 16.059,924 376.675,926 388.446,927 258.414,928 50.29,931 364.904,932 73.832,935 45.861,936 195.89,937 16.663,939 388.446,940 94.888,941 213.816,944 388.446,945 54.228,946 169.512,947 18.011,948 66.953,949 388.446,950 94.888,951 213.816,953 0.588,954 0.356,955 0.208,956 0.119,957 41,958 17,959 0.081,960 7,961 3,962 1.154,963 5.269,964 525.817,965 0.154,966 39,967 243.133,973 27.964,974 11.427,975 4.977,976 5.985,977 91.212,978 32.619,979 5.018,983 2.245,984 4.104,985 18.011,986 697.15,987 70.5,992 27.175,996 -0.116,998 78.636,999 88.221,1000 0.23,1001 0.547,1002 0.696,1003 0.836,1004 0.91,1005 0.934,1006 5.532,1007 2.115,1008 6.441,1009 7.15,1010 5.03,1011 5.631,1012 1.957,1013 7.322,1014 4.983,1015 6.762,1016 2.016,1017 8.035,1018 6.279,1019 4.635,1020 5.521,1021 0.57,1022 8.345,1023 4.56,1024 8.096,1025 1.916,1026 9.733,1027 5.703,1028 6.681,1029 7.946,1030 1.93,1031 11.527,1032 6.587,1033 9.472,1034 1.648,1035 11.494,1036 5.59,1037 7.155,1038 8.737,1039 0.479,1040 13.436,1041 7.041,1042 10.886,1043 1.618,1044 13.297,1045 4.773,1046 8.655,1047 10.617,1048 2.084,1049 16.141,1050 8.524,1051 12.329,1052 1.579,1053 15.13,1054 4.464,1055 9.53,1056 11.821,1057 0.346,1058 18.404,1059 9.384,1060 13.795,1061 1.366,1062 16.986,1063 4.141,1064 10.824,1065 13.486,1066 2.33,1067 20.963,1068 10.664,1069 3.437,1070 1.33,1071 18.858,1072 3.587,1073 11.88,1074 14.874,1075 0.237,1076 23.369,1077 11.707,1078 3.231,1079 12.689,1080 20.744,1081 2.983,1082 13.101,1083 16.454,1084 2.626,1085 25.886,1086 12.915,1087 3.002,1088 11.507,1089 22.64,1090 4.735,1091 14.237,1092 17.922,1093 0.158,1094 28.352,1095 14.039,1096 2.862,1097 10.488,1098 24.546,1099 4.625,1100 15.437,1101 19.47,1102 2.95,1103 30.861,1104 15.227,1105 2.618,1106 9.27,1107 26.459,1108 4.325,1109 16.609,1110 20.974,1111 0.104,1112 33.354,1113 16.388,1114 2.406,1115 8.31,1116 28.378,1117 3.95,1118 17.807,1119 22.51,1120 3.29,1121 35.865,1122 17.574,1123 2.211,1124 7.291,1125 30.302,1126 3.262,1127 18.997,1128 24.03,1129 0.068,1130 38.372,1131 18.753,1132 33723,1133 50301,1134 36.005,1135 54.603,1136 80.617,1137 81.768,1138 82.091,1139 79.88,1140 79.892,1141 107.16,1142 7.2,1143 240.25,1144 78.077,1145 5.834,1146 5.839,1147 6.882,1148 5.493,1149 5.437,1150 7.735,1151 2.4,1152 20.551,1153 5.4,1154 16.188,1155 1.55,1156 1.572,1157 1.579,1158 1.536,1159 1.536,1160 2.061,1161 0.138,1162 4.62,1163 1.501,1164 4.223,1165 4.252,1166 4.196,1167 4.143,1168 7.45,1169 4.151,1170 4.11,1171 4.146,1172 4.079,1173 4.019,1174 7.408,1175 4.027,1176 4.013,1177 4.035,1178 3.968,1179 3.963,1180 5.033,1181 3.963,1182 3.852,1183 3.929,1184 3.742,1185 3.653,1186 4.962,1187 3.663,1188 3.764,1189 3.785,1190 3.724,1191 3.626,1192 4.826,1193 3.645,1194 3.559,1195 3.633,1196 3.419,1197 3.411,1198 4.415,1199 3.408,1200 3.503,1201 3.548,1202 3.416,1203 3.391,1204 4.394,1205 3.386,1206 3.309,1207 3.391,1208 3.198,1209 3.18,1210 4.359,1211 3.178,1212 0.093,1213 0.074,1214 0.138,1215 0.085,1216 0.066,1217 4.834,1218 0.091,1219 3.839,1220 0.023,1221 7.194,1222 0.244,1223 4.426,1224 0.065,1225 3.437,1226 4.735,1227 1.2,1228 12.689,1229 3.4,1230 2.081,1231 2.061,1232 2.161,1233 2.146,1234 1.346,1235 2.152,1236 1.96,1237 1.941,1238 2.05,1239 2.054,1240 1.297,1241 2.055,1242 1.923,1243 1.899,1244 2.022,1245 2.012,1246 1.216,1247 2.018,1248 1.802,1249 1.73,1250 2.003,1251 1.993,1252 1.168,1253 2.001,1254 1.691,1255 1.66,1256 1.84,1257 1.854,1258 1.101,1259 1.845,1260 1.584,1261 1.52,1262 1.743,1263 1.76,1264 0.899,1265 1.76,1266 1.478,1267 1.44,1268 1.614,1269 1.637,1270 0.825,1271 1.619,1272 1.329,1273 1.294,1274 1.547,1275 1.593,1276 0.717,1277 1.552,1278 4.654,1280 6.014,1281 3.434,1282 7.571,1283 5.938,1284 9.219,1285 8.143,1286 10.917,1288 2.169,1294 7.008,1296 2.594,1300 4.865,1305 51.933,1306 114.765,1307 272.399,1308 346.501,1309 416.124,1310 453.244,1311 465.244,1312 73.269,1313 10.079,1314 79.16,1315 79.16,1316 45,1317 13.432,1318 5.129,1319 4.285,1320 57.322,1321 226,1322 305,1323 0.12,1324 308.46,1325 525.72,1326 744.402,1327 454438,1329 30.493,1330 0.678,1331 0.561,1332 30.493,1333 25.24,1334 22.047,1335 0.424,1336 0.3,1337 15.44,1338 21.387,1339 15.108,1340 12.433,1341 22.047,1342 15.614,1343 20.227,1344 0.266,1345 0.159,1346 20.227,1347 12.082,1348 18.124,1349 0.165,1350 0.084,1351 18.124,1352 9.259,1353 16.338,1354 0.103,1355 0.043,1356 16.338,1357 6.855,1358 14.037,1359 0.066,1360 0.023,1361 14.037,1362 5.018,1363 0.187,1364 136.674,1365 0.167,1366 39.069,1367 0.331,1368 256,1369 638.029,1370 273.529,1371 629.83,1372 893.09,1373 594,1374 314,1375 687.439,1376 333.973,1377 700.113,1378 1043.59,1379 663,1380 5.886}
{0 CHEMBL177308,1 1.548,2 14.833,3 4.197,4 17.612,5 146.524,6 8.762,7 0.522,8 4.308,9 4.373,10 3.972,11 3.868,12 5.649,13 3.892,14 4.77,15 4.851,16 4.381,17 4.269,18 6.185,19 4.28,20 5.099,21 5.222,22 4.524,23 4.41,24 6.446,25 4.421,26 5.208,27 5.34,28 4.578,29 4.377,30 6.753,31 4.409,32 5.212,33 5.343,34 4.565,35 4.342,36 6.869,37 4.376,38 5.128,39 5.262,40 4.498,41 4.374,42 6.617,43 4.386,44 5.197,45 5.329,46 4.496,47 4.398,48 6.791,49 4.394,50 5.143,51 5.318,52 4.281,53 4.313,54 6.43,55 4.276,56 0.342,57 0.809,58 9.636,59 6.01,60 57.97,61 5.577,62 0.597,63 1.294,64 15.576,65 9.75,66 87.042,67 10,68 0.912,69 1.749,70 27.311,71 13.334,72 140.782,73 13.819,74 1.464,75 1.894,76 33.914,77 14.099,78 251.191,79 14.349,80 2.035,81 1.842,82 36.753,83 13.902,84 343.347,85 13.902,86 1.344,87 1.736,88 31.71,89 13.666,90 225.371,91 14.123,92 1.715,93 1.845,94 34.018,95 14.417,96 298.252,97 14.791,98 1.309,99 1.768,100 36.103,101 14.418,102 213.32,103 15.871,104 83,105 67,106 0.242,107 0.558,108 0.712,109 0.83,110 0.874,111 0.892,112 3.765,113 0.821,114 -3.43,115 -3.41,116 -3.26,119 47.7,121 1,127 2,142 13,143 7,144 4,157 1,158 3,167 1,170 1,172 17,173 1,174 1,175 7,178 2,180 11,183 20,184 2,188 11,191 1,193 13,196 11,197 1,200 11,201 1,203 3,204 1,205 12,206 1,208 7,209 2,212 2,213 14,216 7,217 1,218 6,221 13,225 6,228 1,229 3,230 8,231 2,233 21,234 2,237 3,238 11,241 2,242 2,243 7,246 23,247 1,250 7,254 2,255 7,258 17,263 7,264 2,266 3,268 7,271 11,275 3618,276 27.706,277 27.706,278 27.706,279 27.706,280 27.706,281 24.213,282 25.586,283 15.883,284 27.945,285 22.624,286 22.624,287 22.624,288 22.624,289 22.624,290 17.266,291 25.812,292 7.467,293 23.029,294 4.474,295 2.447,296 1.457,297 0.704,298 0.423,299 0.308,300 4.46,306 1341,307 4.528,310 103.9,311 554.694,314 200.645,318 2.222,319 91.114,322 0.25,323 0.5,324 0.5,325 0.1,327 0.33,328 0.5,329 0.31,330 94.5,331 623,332 4.632,333 3.759,334 6.99,335 4.282,336 3.283,337 4.32,338 1.674,339 11.775,340 3.279,341 4.423,342 3.718,343 6.765,344 4.191,345 3.213,346 4.03,347 1.437,348 11.14,349 3.143,350 4.351,351 3.597,352 6.503,353 3.958,354 2.973,355 3.922,356 1.081,357 10.017,358 2.923,359 4.166,360 3.517,361 6.029,362 3.796,363 2.792,364 3.75,365 0.473,366 8.594,367 2.798,368 3.963,369 3.355,370 6.017,371 3.618,372 2.626,373 3.339,375 8.52,376 2.594,377 3.667,378 2.928,379 5.555,380 3.271,381 2.302,382 3.021,384 7.016,385 2.221,386 3.63,387 2.64,388 5.51,389 3.246,390 2.266,391 2.927,393 6.667,394 2.199,395 3.41,396 2.632,397 5.029,398 3.114,399 2.143,400 2.594,402 6.027,403 2.07,404 3.232,405 2.392,406 4.908,407 2.819,408 1.879,409 2.481,411 5.392,412 1.799,413 3.228,414 2.232,415 4.879,416 2.816,417 1.826,418 2.422,420 5.225,421 1.749,422 2.984,423 2.114,424 4.808,425 2.701,426 1.716,427 2.115,429 4.827,430 1.682,431 2.847,432 1.899,433 4.22,434 2.395,435 1.408,436 1.972,438 3.655,439 1.384,440 2.795,441 1.848,442 4.119,443 2.326,444 1.327,445 1.862,447 3.354,448 1.315,449 2.79,450 1.788,451 3.869,452 2.306,453 1.315,454 1.83,456 2.968,457 1.29,458 2.656,459 1.488,460 3.712,461 2.18,462 1.172,463 1.632,465 2.911,466 1.166,467 19.233,468 0.458,469 1.299,470 0.031,471 58.25,472 1.387,473 32,474 0.762,475 26.25,476 0.625,477 35.176,478 0.838,479 44.367,480 0.683,481 59.32,482 1.412,483 12,484 0.286,485 8.045,486 0.192,487 0.156,489 0.442,493 0.87,494 0.889,495 0.725,496 0.821,497 0.811,498 0.743,499 0.589,500 1.104,501 0.719,502 1.07,503 0.534,504 0.974,505 0.937,506 1.205,507 0.912,508 1.149,509 0.844,510 1.054,511 1.081,512 1.167,513 0.975,514 1.11,515 1.03,516 1.025,517 1.096,518 0.906,519 1.008,520 0.886,521 1.162,522 0.904,523 1.013,524 0.964,525 0.942,526 0.962,527 0.989,528 0.937,529 0.974,530 1.01,531 1.099,532 1.035,533 0.92,534 1.09,535 1.043,536 0.928,537 1.105,538 0.966,539 1.038,540 1.039,541 9,542 0.374,543 5.778,544 4.326,545 3.182,546 2.257,547 1.268,548 0.825,549 0.719,550 0.489,551 29437,552 101529,553 2.031,554 35.4,556 15,559 6,561 2,564 1.813,565 1.853,566 3.801,567 2.899,574 100.613,575 1.548,576 3.576,577 4.565,578 5.318,579 5.599,580 5.715,581 3.271,582 5.011,583 5.365,584 4.026,585 3466.03,586 9.493,587 61630.8,592 391.454,593 1.535,594 5.297,595 0.196,596 0.008,597 0.086,598 0.058,599 0.043,600 0.031,601 0.018,602 0.012,603 0.013,604 0.009,605 0.474,606 0.17,607 0.5,608 0.733,609 240.025,610 -0.148,611 0.161,612 -0.045,613 0.174,614 -0.148,615 0.122,616 0.091,617 -0.062,618 -0.003,619 -0.074,620 0.081,621 -0.074,622 -0.091,623 -0.191,624 -0.034,625 -0.164,626 -0.07,627 -0.103,628 -0.03,629 -0.156,630 -0.001,631 -0.148,632 0.017,633 -0.082,634 0.102,635 0.09,636 0.016,637 0.073,638 0.067,639 0.031,640 -0.029,641 0.021,642 0.012,643 0.025,644 -0.013,645 0.03,646 0.057,647 -0.025,648 -0.13,649 -0.055,650 0.091,651 -0.131,652 -0.123,653 0.037,654 -0.072,655 0.033,656 -0.151,657 0.005,658 3.182,659 6.156,660 0.643,661 51.762,662 1.032,663 1.11,664 2.202,665 4.848,666 0.691,667 3.85,668 4.22,669 4.522,670 4.812,671 5.03,672 5.112,673 5.226,674 5.308,675 5.451,676 5.572,677 8.732,678 0.692,679 569.55,680 3.85,681 5.425,682 6.297,683 7.2,684 8.089,685 8.995,686 9.891,687 10.799,688 11.699,689 12.608,690 1.5,697 1,706 13,711 11,713 24,718 1,720 1,722 1,723 1,729 4,732 65,734 28,735 4,736 46,738 69,739 31,740 24,741 11,742 13,743 4,745 5,746 6,754 3,757 3,759 28,760 3,763 4,768 4,772 4,778 23,779 11,780 6,781 11,787 1,792 0.8,793 10,808 1,809 4,812 1,833 1,835 4,843 42,850 5,851 1,853 1,854 1,856 2,867 15.4,869 5,870 4,872 1,874 22.667,875 11.333,876 9.083,877 3.549,878 4.259,879 1.49,880 0.921,881 8.004,882 12.958,883 4.143,884 4.762,885 5.342,886 5.894,887 6.39,888 6.565,889 6.863,890 7.049,891 7.417,892 7.739,893 0.9,894 74,895 15.876,897 7.438,898 8.337,899 28.08,901 23.5,903 2.837,904 119.167,908 200.109,909 165.964,910 18.011,912 324.996,915 165.964,916 525.105,917 18.011,919 20.545,920 123.191,921 331.936,922 33.299,924 200.109,926 200.109,927 183.975,928 324.996,931 176.567,932 348.539,935 20.545,936 163.43,939 200.109,940 343.007,941 165.964,944 200.109,945 42.773,946 123.191,947 18.011,948 324.996,949 200.109,950 343.007,951 165.964,953 0.595,954 0.357,955 0.197,956 0.108,957 32,958 17,959 0.116,960 8,961 1,962 1.074,963 4.872,964 441.477,965 0.074,966 27,967 216.477,973 28.826,974 11.661,975 5.743,977 343.007,978 17.919,983 -2.8,985 231.427,986 709.08,987 62,992 50.75,996 -4.141,998 67.094,999 72.16,1000 0.257,1001 0.594,1002 0.758,1003 0.883,1004 0.93,1005 0.949,1006 5.407,1007 2.143,1008 6.315,1009 6.667,1010 4.905,1011 5.451,1012 2.604,1013 7.18,1014 4.871,1015 6.64,1016 1.879,1017 7.915,1018 6.027,1019 4.635,1020 5.345,1022 8.192,1023 4.581,1024 7.966,1025 1.826,1026 9.615,1027 5.392,1028 6.555,1029 7.644,1030 3.335,1031 11.325,1032 6.497,1033 9.324,1034 1.716,1035 11.371,1036 5.225,1037 7.074,1038 8.312,1040 13.161,1041 7.004,1042 10.712,1043 1.408,1044 13.165,1045 4.827,1046 8.507,1047 10.126,1048 4.188,1049 15.829,1050 8.43,1051 12.123,1052 1.327,1053 14.984,1054 3.655,1055 9.378,1056 11.158,1058 18.009,1059 9.294,1060 13.55,1061 1.315,1062 16.822,1063 3.354,1064 10.63,1065 12.768,1066 5.103,1067 20.518,1068 10.538,1069 3.283,1070 1.172,1071 18.675,1072 2.968,1073 11.661,1074 13.984,1076 22.844,1077 11.562,1078 3.213,1079 11.775,1080 20.54,1081 2.911,1082 12.847,1083 15.499,1084 6.056,1085 25.301,1086 12.74,1087 2.973,1088 11.14,1089 22.414,1090 4.32,1091 13.95,1092 16.812,1094 27.69,1095 13.835,1096 2.792,1097 10.017,1098 24.296,1099 4.03,1100 15.115,1101 18.281,1102 7.032,1103 30.132,1104 14.993,1105 2.626,1106 8.594,1107 26.184,1108 3.922,1109 16.25,1110 19.647,1112 32.549,1113 16.12,1114 2.302,1115 8.52,1116 28.078,1117 3.75,1118 17.411,1119 21.096,1120 8.023,1121 34.989,1122 17.274,1123 2.266,1124 7.016,1125 29.977,1126 3.339,1127 18.562,1128 22.492,1130 37.421,1131 18.417,1132 27945,1133 52094,1134 29.767,1135 44.926,1136 71.053,1137 74.011,1138 74.141,1139 69.964,1140 69.751,1141 91.899,1142 9.33,1143 209.014,1144 68.479,1145 5.567,1146 5.759,1147 6.671,1148 5.365,1149 5.283,1150 7.32,1151 3.349,1152 19.322,1153 5.279,1154 26.767,1155 1.545,1156 1.609,1157 1.612,1158 1.521,1159 1.516,1160 1.998,1161 0.203,1162 4.544,1163 1.489,1164 4.068,1165 4.087,1166 4.025,1167 3.989,1168 7.476,1169 3.993,1170 3.992,1171 4.002,1172 3.952,1173 3.925,1174 7.434,1175 3.929,1176 3.903,1177 3.922,1178 3.85,1179 3.834,1180 7.428,1181 3.834,1182 3.861,1183 3.87,1184 3.823,1185 3.785,1186 7.426,1187 3.792,1188 3.518,1189 3.552,1190 3.447,1191 3.358,1192 6.491,1193 3.368,1194 3.355,1195 3.358,1196 3.323,1197 3.151,1198 6.471,1199 3.185,1200 3.291,1201 3.273,1202 3.247,1203 3.061,1204 6.466,1205 3.088,1206 3.243,1207 3.261,1208 3.168,1209 3.019,1210 6.446,1211 3.07,1212 0.101,1213 0.082,1214 0.152,1215 0.093,1216 0.071,1217 4.632,1218 0.094,1219 3.759,1220 0.036,1221 6.99,1222 0.256,1223 4.282,1224 0.071,1225 3.283,1226 4.32,1227 1.674,1228 11.775,1229 3.279,1230 1.96,1231 1.955,1232 2.016,1233 2.052,1234 1.173,1235 2.037,1236 1.912,1237 1.889,1238 2.015,1239 2.009,1240 1.153,1241 2.009,1242 1.879,1243 1.858,1244 1.987,1245 1.956,1246 1.131,1247 1.969,1248 1.835,1249 1.825,1250 1.913,1251 1.939,1252 1.051,1253 1.928,1254 1.571,1255 1.533,1256 1.753,1257 1.77,1258 1.015,1259 1.763,1260 1.223,1261 1.218,1262 1.39,1263 1.479,1264 0.529,1265 1.435,1266 1.177,1267 1.147,1268 1.293,1269 1.437,1270 0.338,1271 1.364,1272 1.11,1273 1.119,1274 1.215,1275 1.371,1276 0.218,1277 1.338,1278 4.533,1280 5.889,1281 2.398,1282 7.435,1283 4.844,1284 9.071,1285 7.034,1286 10.753,1293 50.263,1294 0.252,1296 2.85,1297 5.695,1299 -1.619,1305 44.964,1306 100.613,1307 232.414,1308 296.719,1309 345.679,1310 363.944,1311 371.454,1312 152.454,1313 8.699,1314 190.69,1315 190.69,1316 29,1317 13.125,1318 4.858,1319 4.087,1320 68.856,1321 223,1322 233,1323 0.149,1324 271.084,1325 496.12,1326 653.206,1327 88600,1329 30.129,1330 0.717,1331 0.515,1332 30.129,1333 21.645,1334 20.045,1335 0.436,1336 0.274,1337 12.415,1338 19.255,1339 12.236,1340 10.031,1341 20.045,1342 12.594,1343 18.83,1344 0.281,1345 0.143,1346 18.83,1347 9.568,1348 15.799,1349 0.174,1350 0.076,1351 15.799,1352 6.917,1353 13.643,1354 0.112,1355 0.04,1356 13.643,1357 4.926,1358 10.747,1359 0.071,1360 0.021,1361 10.747,1362 3.261,1363 0.237,1364 126.689,1365 0.183,1366 37.221,1367 0.404,1368 226,1369 801.759,1370 251.747,1371 761.555,1372 1000.97,1373 700,1374 271,1375 706.032,1376 294.981,1377 710.114,1378 1044.86,1379 668,1380 6.796}
{0 CHEMBL177635,1 1.648,2 14.868,3 1.96,4 3.841,5 129.358,6 8.708,7 0.439,8 4.231,9 4.304,10 3.878,11 3.727,12 5.58,13 3.766,14 4.699,15 4.795,16 4.279,17 4.119,18 6.126,19 4.144,20 5.028,21 5.168,22 4.408,23 4.251,24 6.39,25 4.273,26 5.108,27 5.25,28 4.461,29 4.194,30 6.691,31 4.251,32 5.065,33 5.176,34 4.453,35 4.17,36 6.809,37 4.223,38 5.017,39 5.149,40 4.335,41 4.2,42 6.514,43 4.212,44 5.097,45 5.257,46 4.291,47 4.174,48 6.666,49 4.164,50 5.012,51 5.223,52 4.039,53 3.994,54 6.285,55 3.965,56 0.399,57 0.804,58 9.441,59 5.448,60 62.73,61 5.171,62 0.701,63 1.275,64 15.812,65 8.731,66 94.611,67 9.184,68 1.107,69 1.628,70 27.728,71 11.862,72 155.843,73 12.907,74 1.649,75 1.632,76 33.637,77 11.939,78 265.13,79 12.668,80 2.025,81 1.532,82 30.942,83 11.23,84 340.435,85 11.267,86 1.387,87 1.547,88 28.335,89 11.676,90 235.502,91 12.429,92 1.746,93 1.654,94 33.253,95 12.13,96 281.542,97 13.878,98 1.467,99 1.458,100 36.254,101 11.501,102 219.665,103 14.205,104 83,105 59,106 0.264,107 0.6,108 0.747,109 0.841,110 0.872,111 0.887,112 3.668,113 0.822,114 -1.55,115 -1.62,116 -1.66,119 43.3,125 2,127 2,142 9,143 5,144 4,157 1,158 3,167 1,170 1,172 10,173 1,174 1,175 6,178 2,180 10,183 12,184 2,188 9,191 2,192 1,193 10,196 6,197 1,200 7,201 1,203 3,204 1,205 10,206 1,208 4,209 2,212 2,213 7,216 9,217 1,218 7,221 4,225 2,228 1,229 3,230 12,231 2,233 5,234 2,237 3,238 8,241 2,242 2,243 7,246 5,247 1,250 7,254 4,255 3,258 5,263 6,264 2,266 3,267 1,271 6,275 2818,276 24.844,277 24.844,278 24.844,279 24.844,280 24.844,281 22.078,282 25.879,283 14.249,284 25.145,285 20.136,286 20.136,287 20.136,288 20.136,289 20.136,290 15.846,291 27.824,292 6.672,293 20.637,294 4.259,295 2.157,296 1.24,297 0.65,298 0.458,299 0.367,300 4.352,306 1199,307 4.416,310 125.106,311 416.059,318 2.402,319 88.078,322 0.25,323 0.5,324 0.5,325 0.1,327 0.33,328 0.5,329 0.31,330 87,331 565,332 4.632,333 3.755,334 6.99,335 4.281,336 3.282,337 4.32,338 1.674,339 11.775,340 3.278,341 4.359,342 3.693,343 6.504,344 3.983,345 3.008,346 4.03,347 1.437,348 10.027,349 2.933,350 4.199,351 3.574,352 6.253,353 3.905,354 2.928,355 3.759,356 1.058,357 9.415,358 2.866,359 4.008,360 3.516,361 6.025,362 3.732,363 2.748,364 3.349,365 0.4,366 8.568,367 2.678,368 3.803,369 3.003,370 5.906,371 3.551,372 2.553,373 3.049,375 8.177,376 2.536,377 3.634,378 2.909,379 5.525,380 3.245,381 2.269,382 2.929,384 6.683,385 2.2,386 3.598,387 2.638,388 5.023,389 3.222,390 2.249,391 2.787,393 6.022,394 2.17,395 3.24,396 2.629,397 4.879,398 2.817,399 1.879,400 2.481,402 5.225,403 1.797,404 3.232,405 2.232,406 4.844,407 2.816,408 1.819,409 2.436,411 5.011,412 1.749,413 2.861,414 1.914,415 4.515,416 2.501,417 1.549,418 1.941,420 4.435,421 1.464,422 2.805,423 1.849,424 4.151,425 2.327,426 1.347,427 1.86,429 3.473,430 1.311,431 2.74,432 1.825,433 3.92,434 2.276,435 1.3,436 1.74,438 2.968,439 1.251,440 2.5,441 1.745,442 3.802,443 2.054,444 1.058,445 1.5,447 2.784,448 1.041,449 2.489,450 1.534,451 3.686,452 2,453 1.018,454 1.373,456 2.383,457 1,458 2.25,459 1.336,460 3.422,461 1.982,462 1,463 1.158,465 2.275,466 0.971,467 17.133,468 0.451,469 1.197,470 0.031,471 50.25,472 1.322,473 26,474 0.684,475 24.25,476 0.638,477 31.226,478 0.822,479 41.667,480 0.694,481 50.64,482 1.333,483 10.486,484 0.276,485 7.576,486 0.199,487 0.175,489 0.438,493 0.917,494 1.018,495 0.746,496 0.887,497 0.826,498 0.776,499 0.648,500 1.153,501 0.745,502 1.098,503 0.545,504 0.983,505 0.942,506 1.11,507 0.906,508 1.13,509 0.844,510 1.032,511 1.155,512 1.036,513 0.923,514 0.995,515 1.077,516 0.893,517 1.09,518 0.932,519 1.036,520 0.928,521 1.286,522 0.957,523 1.012,524 1.145,525 1.044,526 1.121,527 1.034,528 1.108,529 0.881,530 1.127,531 1.109,532 1.129,533 0.749,534 1.182,535 1.007,536 0.882,537 1.008,538 0.902,539 0.977,540 0.948,541 8.5,542 0.264,543 5.333,544 3.632,545 2.99,546 1.903,547 0.914,548 0.74,549 0.595,550 0.336,551 22850,552 83237,553 1.992,554 36.7,556 15,559 7,564 1.786,565 1.81,566 3.792,567 3.875,574 98.875,575 1.648,576 3.75,577 4.667,578 5.257,579 5.448,580 5.54,581 3.281,582 4.827,583 5.219,584 4.025,585 2829.37,586 9.183,587 47660.8,592 354.413,593 1.552,594 5.146,595 0.207,596 0.007,597 0.09,598 0.057,599 0.046,600 0.03,601 0.016,602 0.014,603 0.015,604 0.009,605 0.491,606 0.17,607 0.63,608 0.768,609 212.428,610 -0.18,611 0.125,612 -0.055,613 0.167,614 -0.154,615 0.125,616 0.054,617 -0.025,618 -0.005,619 -0.059,620 0.08,621 -0.051,622 -0.084,623 -0.076,624 -0.004,625 -0.128,626 -0.063,627 -0.058,628 -0.072,629 -0.057,630 0.077,631 -0.03,632 -0.002,633 0.06,634 0.112,635 0.05,636 -0.06,637 0.033,638 0.033,639 -0.056,640 -0.056,641 -0.152,642 -0.115,643 -0.118,644 -0.059,645 -0.139,646 0.083,647 -0.138,648 -0.113,649 -0.159,650 0.138,651 -0.195,652 -0.061,653 0.043,654 0.102,655 0.065,656 -0.092,657 0.121,658 3.18,659 5.953,660 0.605,661 46.499,662 1.039,663 1.121,664 0.319,665 0.102,666 0.67,667 3.738,668 4.094,669 4.369,670 4.625,671 4.787,672 4.836,673 4.89,674 4.913,675 5.069,676 5.142,677 8.642,678 0.674,679 522.5,680 3.738,681 5.303,682 6.163,683 7.055,684 7.931,685 8.825,686 9.707,687 10.601,688 11.487,689 12.382,690 3.3,692 1,697 1,706 9,711 9,713 18,718 1,720 1,722 1,723 1,729 4,732 60,734 22,735 3,736 41,738 63,739 26,740 18,741 9,742 9,743 4,745 4,746 4,754 2,757 2,759 22,760 4,763 4,768 4,772 4,778 22,779 12,780 7,781 12,787 2,792 1,793 10,805 1,808 1,809 3,830 1,833 1,835 4,843 38,850 5,851 2,853 2,854 1,856 2,867 16.7,869 5,870 4,872 1,874 21,875 10.25,876 8.278,877 3.194,878 3.195,879 1.393,880 0.896,881 7.989,882 11.33,883 4.007,884 4.6,885 5.155,886 5.683,887 6.153,888 6.324,889 6.578,890 6.674,891 7.057,892 7.303,893 0.9,894 64,895 14.365,897 6.698,898 8.443,899 25.151,901 20.741,903 2.943,904 111.833,908 176.567,909 123.365,910 36.022,912 324.996,915 123.365,916 501.563,917 36.022,919 22.222,920 103.297,921 331.936,922 26.928,924 176.567,926 176.567,927 159.386,928 324.996,931 176.567,932 324.996,935 40.233,936 119.153,939 176.567,940 361.018,941 123.365,944 176.567,945 38.079,946 85.286,947 36.022,948 324.996,949 176.567,950 361.018,951 123.365,953 0.594,954 0.355,955 0.191,956 0.099,957 27,958 15,959 0.127,960 8,962 1,963 4.611,964 370.285,966 23,967 189.421,973 27.097,974 11.204,975 5.817,977 361.018,978 10.654,983 -4.312,985 249.438,986 660.949,987 54,992 49.712,996 -4.114,998 62.313,999 67.243,1000 0.279,1001 0.635,1002 0.79,1003 0.89,1004 0.922,1005 0.938,1006 5.27,1007 1.879,1008 6.18,1009 6.022,1010 4.779,1011 5.288,1012 2.587,1013 7.027,1014 4.734,1015 6.495,1016 1.819,1017 7.773,1018 5.225,1019 4.511,1020 5.207,1022 8.019,1023 4.45,1024 7.816,1025 1.549,1026 9.465,1027 5.011,1028 6.415,1029 7.46,1030 3.325,1031 11.131,1032 6.339,1033 9.17,1034 1.347,1035 11.213,1036 4.435,1037 6.929,1038 8.153,1040 12.938,1041 6.845,1042 10.554,1043 1.3,1044 12.998,1045 3.473,1046 8.344,1047 9.935,1048 4.182,1049 15.591,1050 8.248,1051 11.959,1052 1.058,1053 14.808,1054 2.968,1055 9.202,1056 10.986,1058 17.743,1059 9.102,1060 13.381,1061 1.018,1062 16.637,1063 2.784,1064 10.437,1065 12.579,1066 5.1,1067 20.242,1068 10.328,1069 3.282,1070 1,1071 18.481,1072 2.383,1073 11.45,1074 13.81,1076 22.55,1077 11.338,1078 3.008,1079 11.775,1080 20.336,1081 2.275,1082 12.621,1083 15.319,1084 6.054,1085 25.001,1086 12.503,1087 2.928,1088 10.027,1089 22.202,1090 4.32,1091 13.706,1092 16.645,1094 27.382,1095 13.587,1096 2.748,1097 9.415,1098 24.075,1099 4.03,1100 14.857,1101 18.115,1102 7.031,1103 29.822,1104 14.735,1105 2.553,1106 8.568,1107 25.956,1108 3.759,1109 15.977,1110 19.493,1112 32.239,1113 15.854,1114 2.269,1115 8.177,1116 27.842,1117 3.349,1118 17.125,1119 20.945,1120 8.022,1121 34.681,1122 17.002,1123 2.249,1124 6.683,1125 29.734,1126 3.049,1127 18.263,1128 22.352,1130 37.117,1131 18.142,1132 22035,1133 42227,1134 26.183,1135 40.17,1136 62.774,1137 65.749,1138 65.79,1139 61.942,1140 61.774,1141 79.573,1142 9.139,1143 182.797,1144 60.236,1145 5.591,1146 5.755,1147 6.519,1148 5.372,1149 5.282,1150 7.32,1151 3.349,1152 19.322,1153 5.278,1154 25.161,1155 1.531,1156 1.604,1157 1.605,1158 1.511,1159 1.507,1160 1.941,1161 0.223,1162 4.458,1163 1.469,1164 4.035,1165 4.043,1166 4.005,1167 3.952,1168 7.476,1169 3.962,1170 3.94,1171 3.964,1172 3.886,1173 3.85,1174 7.434,1175 3.854,1176 3.873,1177 3.887,1178 3.832,1179 3.789,1180 7.428,1181 3.796,1182 3.804,1183 3.845,1184 3.713,1185 3.645,1186 7.426,1187 3.655,1188 3.36,1189 3.359,1190 3.337,1191 3.159,1192 6.491,1193 3.195,1194 3.3,1195 3.319,1196 3.25,1197 3.059,1198 6.471,1199 3.1,1200 3.29,1201 3.272,1202 3.237,1203 3.019,1204 6.466,1205 3.071,1206 3.062,1207 3.066,1208 3.004,1209 2.808,1210 6.446,1211 2.851,1212 0.113,1213 0.092,1214 0.17,1215 0.104,1216 0.08,1217 4.632,1218 0.105,1219 3.755,1220 0.041,1221 6.99,1222 0.287,1223 4.281,1224 0.08,1225 3.282,1226 4.32,1227 1.674,1228 11.775,1229 3.278,1230 1.96,1231 1.955,1232 2.016,1233 2.052,1234 1.183,1235 2.037,1236 1.896,1237 1.876,1238 1.995,1239 2.002,1240 1.14,1241 1.998,1242 1.835,1243 1.825,1244 1.914,1245 1.939,1246 1.054,1247 1.928,1248 1.591,1249 1.547,1250 1.779,1251 1.794,1252 1.016,1253 1.789,1254 1.421,1255 1.341,1256 1.683,1257 1.709,1258 0.914,1259 1.707,1260 1.206,1261 1.198,1262 1.294,1263 1.438,1264 0.338,1265 1.377,1266 1.113,1267 1.12,1268 1.232,1269 1.433,1270 0.227,1271 1.357,1272 1.089,1273 1.075,1274 1.211,1275 1.337,1276 0.218,1277 1.302,1278 4.419,1280 5.765,1281 2.398,1282 7.296,1283 4.595,1284 8.916,1285 6.555,1286 10.582,1293 49.664,1294 0.49,1296 5.714,1297 5.45,1299 -1.424,1305 40.459,1306 98.875,1307 225.016,1308 280.01,1309 315.394,1310 326.904,1311 332.413,1312 150.96,1313 8.135,1314 202.72,1315 202.72,1316 23,1317 12.909,1318 4.524,1319 3.807,1320 67.823,1321 199,1322 217,1323 0.165,1324 246.093,1325 451.8,1326 592.226,1327 45178,1329 27.56,1330 0.725,1331 0.514,1332 27.56,1333 19.542,1334 18.061,1335 0.441,1336 0.274,1337 11.037,1338 17.2,1339 10.909,1340 8.941,1341 18.061,1342 11.24,1343 16.913,1344 0.287,1345 0.143,1346 16.913,1347 8.452,1348 13.918,1349 0.178,1350 0.076,1351 13.918,1352 5.922,1353 11.781,1354 0.117,1355 0.04,1356 11.781,1357 4.037,1358 8.734,1359 0.073,1360 0.02,1361 8.734,1362 2.421,1363 0.265,1364 115.29,1365 0.195,1366 34.66,1367 0.439,1368 200,1369 756.092,1370 227.134,1371 711.178,1372 923.71,1373 652,1374 237,1375 642.159,1376 262.563,1377 642.432,1378 942.93,1379 603,1380 7.921}
{0 CHEMBL177688,1 1.665,2 11.44,3 2.41,4 5.81,5 99.308,6 8.276,7 0.667,8 3.866,9 3.988,10 3.512,11 3.411,12 5.035,13 3.399,14 4.336,15 4.502,16 3.826,17 3.76,18 5.468,19 3.719,20 4.575,21 4.796,22 3.842,23 3.847,24 5.63,25 3.768,26 4.535,27 4.776,28 3.768,29 3.749,30 5.583,31 3.668,32 4.441,33 4.663,34 3.707,35 3.722,36 5.511,37 3.655,38 4.414,39 4.629,40 3.734,41 3.703,42 5.52,43 3.635,44 4.4,45 4.628,46 3.623,47 3.644,48 5.492,49 3.555,50 4.255,51 4.477,52 3.465,53 3.54,54 5.282,55 3.439,56 0.067,57 0.656,58 7.626,59 3.437,60 10.502,61 4.372,62 0.177,63 0.994,64 14.193,65 5.551,66 22.094,67 7.246,68 0.346,69 1.161,70 23.114,71 7.375,72 36.802,73 9.976,74 0.373,75 1.083,76 22.834,77 7.003,78 39.281,79 9.843,80 0.297,81 1.038,82 19.937,83 6.189,84 31.09,85 8.463,86 0.265,87 1.01,88 17.617,89 6.017,90 28.385,91 8.299,92 0.355,93 0.926,94 19.731,95 6.21,96 39.18,97 8.455,98 0.172,99 0.818,100 15.307,101 5.507,102 21.115,103 7.508,104 9,105 35,106 0.289,107 0.65,108 0.831,109 0.919,110 0.919,111 0.919,112 3.266,113 0.919,114 -3.02,115 -3.02,116 -2.91,119 41.9,121 1,125 2,142 5,143 1,144 3,145 4,146 1,147 1,172 3,175 2,178 1,180 5,183 5,187 1,188 3,191 2,193 2,196 2,199 1,200 3,204 1,205 3,208 2,212 1,213 4,216 1,218 1,221 1,225 3,228 2,230 1,233 2,238 3,241 1,242 1,243 1,246 3,250 3,258 3,263 1,266 1,268 3,271 2,275 987,276 17.231,277 17.231,278 17.231,279 17.231,280 17.231,281 15.071,282 20.072,283 10.723,284 17.704,285 13.369,286 13.369,287 13.369,288 13.369,289 13.369,290 10.187,291 33.612,292 5.132,293 14.192,294 3.761,295 1.684,296 0.642,297 0.14,298 0.14,299 0.14,300 3.954,301 1,303 1,304 1,305 1,306 604,307 2.828,311 250.699,318 1.933,319 20.424,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.833,331 286,332 4.307,333 3.031,334 6.198,335 3.905,336 2.937,337 3.968,338 0.4,339 9.306,340 2.846,341 4.071,342 2.937,343 5.632,344 3.649,345 2.7,346 3.668,347 0.4,348 7.844,349 2.55,350 3.863,351 2.689,352 5.346,353 3.408,354 2.464,355 3.42,357 6.984,358 2.322,359 3.522,360 2.456,361 5.153,362 3.149,363 2.212,364 2.831,366 6.369,367 2.061,368 3.23,369 2.085,370 4.677,371 2.772,372 1.861,373 2.486,375 5.092,376 1.635,377 2.909,378 1.838,379 4.232,380 2.595,381 1.638,382 2.067,384 3.867,385 1.552,386 2.711,387 1.525,388 3.611,389 2.361,390 1.414,391 1.798,393 3.048,394 1.331,395 2.649,396 1.285,397 3.494,398 2.171,399 1.222,400 1.718,402 2.642,403 1.144,404 2.596,405 1.21,406 3.475,407 2.115,408 1.168,409 1.604,411 2.573,412 1.097,413 2.5,414 1.065,415 3.454,416 1.935,417 1,418 1.5,420 2.406,421 0.933,422 1.786,423 1,424 2.888,425 1.616,426 0.706,427 0.749,429 1.218,430 0.637,431 1.295,432 0.221,433 2.821,434 0.94,440 0.982,441 0.145,442 2.511,443 0.701,444 -0.213,445 -0.234,447 -0.373,448 -0.193,449 0.919,450 0.083,451 2,452 0.447,453 -0.413,454 -0.517,456 -0.928,457 -0.258,458 0.844,459 -0.482,460 2,461 0.386,462 -0.512,463 -0.68,465 -1.274,466 -0.479,467 12.048,468 0.482,469 0.43,470 0.017,471 35.5,472 1.42,473 19,474 0.76,475 16.5,476 0.66,477 16.8,478 0.672,479 26.352,480 0.613,481 24.329,482 0.973,483 7.084,484 0.283,485 5.158,486 0.206,487 0.087,489 0.249,493 0.934,494 1.338,495 0.643,496 0.931,497 0.902,498 0.862,499 0.993,500 1.255,501 0.784,502 0.974,503 0.898,504 0.971,505 0.995,506 1.008,507 0.985,508 0.952,509 0.914,510 0.969,511 0.84,512 1.033,513 0.806,514 0.882,515 0.79,516 0.881,517 1.004,518 1.007,519 0.958,520 0.911,521 0.869,522 0.923,523 0.797,524 1.078,525 0.776,526 0.987,527 0.703,528 0.996,529 0.979,530 0.89,531 0.939,532 0.923,533 1.064,534 0.968,535 0.903,536 1.064,537 0.877,538 1.024,539 0.827,540 1.074,541 4.5,542 0.087,543 1.556,544 1.25,545 0.867,546 0.521,547 0.424,548 0.224,549 0.181,550 0.108,551 7421,552 22822,553 2.085,554 41.9,556 9,558 4,559 3,562 2,564 1.679,565 2,566 3.502,567 1.005,568 1,569 1,574 71.602,575 1.665,576 3.742,577 4.784,578 5.287,579 5.287,580 5.287,581 2.953,582 4.484,583 4.61,584 3.635,585 1090.55,586 7.968,587 13593.4,589 1,591 1,592 233.329,593 1.164,594 4.597,595 0.167,596 0.006,597 0.044,598 0.037,599 0.028,600 0.017,601 0.014,602 0.009,603 0.008,604 0.006,605 0.335,606 0.33,607 1,608 1.22,609 122.326,610 -0.129,611 -0.161,612 0.003,613 0.003,614 -0.124,615 0.023,616 -0.119,617 -0.137,618 -0.039,619 -0.046,620 -0.075,621 -0.068,622 -0.061,623 0.018,624 -0.053,625 -0.004,626 -0.087,627 -0.019,628 0.074,629 -0.046,630 0.095,631 0.063,632 0.055,633 0.088,634 -0.102,635 0.044,636 -0.073,637 0.017,638 -0.085,639 0.013,640 0.04,641 -0.021,642 0.02,643 -0.065,644 0.044,645 -0.06,646 0.017,647 0.101,648 -0.018,649 0.033,650 -0.037,651 -0.005,652 -0.106,653 -0.06,654 -0.042,655 -0.064,656 -0.071,657 -0.1,658 1.344,659 2.857,660 0.72,661 24.938,662 1.008,663 1.129,664 1.788,665 3.197,666 0.69,667 3.332,668 3.584,669 3.784,670 4.025,671 4.234,672 4.234,673 4.331,674 4.431,675 4.5,676 4.522,677 6.616,678 0.659,679 355.86,680 3.332,681 4.828,682 5.638,683 6.482,684 7.31,685 8.162,686 8.999,687 9.855,688 10.696,689 11.554,690 11.6,695 1,698 1,700 3,706 9,707 3,711 6,713 18,725 2,731 1,732 43,734 18,735 1,736 27,738 45,739 18,740 15,741 2,742 4,745 3,746 3,747 1,751 1,757 1,759 15,760 3,774 1,775 1,778 18,779 6,780 3,781 7,782 1,787 5,792 1,793 1,794 1,799 1,802 1,809 3,833 1,835 3,840 1,843 25,850 1,851 3,853 2,866 1,867 2.3,868 1,874 12.5,875 7.443,876 5.694,877 2.433,878 3.343,879 1.473,880 0.964,881 6.041,882 10.415,883 3.611,884 4.167,885 4.698,886 5.267,887 5.815,888 5.95,889 6.342,890 6.742,891 7.11,892 7.407,893 0.875,894 34,895 9.147,897 3.741,898 7.764,899 17.359,901 13.639,903 2.264,904 56.611,907 1,908 176.567,909 105.495,910 86.378,911 39.149,912 42.683,915 105.495,916 258.399,917 86.378,919 4.64,920 90.065,921 115.452,922 69.157,923 2.328,924 129.482,925 39.149,926 176.567,927 191.874,928 42.683,929 39.149,931 153.024,932 23.542,933 42.683,935 61.597,936 61.909,937 107.516,939 176.567,940 129.061,941 144.644,944 176.567,945 21.925,946 83.571,947 36.022,948 132.189,949 176.567,950 129.061,951 144.644,953 0.556,954 0.308,955 0.169,956 0.095,957 15,958 6,959 0.156,960 7,962 1,963 3.828,964 193.97,966 18,967 114.096,973 17.459,974 8.651,975 5.052,977 129.061,978 16.197,979 13.061,983 4.567,985 78.705,986 450.272,987 36,998 43.345,999 48.551,1000 0.307,1001 0.69,1002 0.882,1003 0.974,1004 0.974,1005 0.974,1006 4.792,1007 1.222,1008 5.572,1009 3.048,1010 4.263,1011 4.852,1012 0.495,1013 6.286,1014 4.148,1015 5.963,1016 1.168,1017 7.059,1018 2.642,1019 3.611,1020 4.407,1022 6.934,1023 3.416,1024 7.231,1025 1,1026 8.641,1027 2.573,1028 5.753,1029 6.979,1030 0.097,1031 10.017,1032 5.548,1033 8.533,1034 0.706,1035 10.281,1036 2.406,1037 5.916,1038 7.326,1040 11.501,1041 5.65,1042 9.865,1044 11.958,1045 1.218,1046 7.492,1047 9.354,1048 0.016,1049 14.055,1050 7.209,1051 11.218,1052 -0.213,1053 13.66,1055 8.073,1056 10.11,1058 15.917,1059 7.744,1060 12.589,1061 -0.413,1062 15.382,1063 -0.373,1064 9.376,1065 11.859,1066 0.003,1067 18.263,1068 9.024,1069 2.937,1070 -0.512,1071 17.119,1072 -0.928,1073 10.181,1074 12.848,1076 20.309,1077 9.79,1078 2.7,1079 9.306,1080 18.866,1081 -1.274,1082 11.35,1083 14.437,1085 22.573,1086 10.934,1087 2.464,1088 7.844,1089 20.624,1090 3.968,1091 12.274,1092 15.568,1094 24.708,1095 11.824,1096 2.212,1097 6.984,1098 22.389,1099 3.668,1100 13.38,1101 17.063,1103 26.941,1104 12.903,1105 1.861,1106 6.369,1107 24.16,1108 3.42,1109 14.367,1110 18.282,1112 29.12,1113 13.859,1114 1.638,1115 5.092,1116 25.938,1117 2.831,1118 15.444,1119 19.721,1121 31.344,1122 14.909,1123 1.414,1124 3.867,1125 27.72,1126 2.486,1127 16.466,1128 20.994,1130 33.546,1131 15.901,1132 7269,1133 12866,1134 18.375,1135 29.671,1136 38.953,1137 39.106,1138 39.741,1139 38.832,1140 38.646,1141 51.618,1142 1.6,1143 102.697,1144 36.218,1145 5.149,1146 5.031,1147 6.108,1148 4.975,1149 4.937,1150 6.968,1151 0.8,1152 15.65,1153 4.846,1154 9.608,1155 1.443,1156 1.448,1157 1.472,1158 1.438,1159 1.431,1160 1.912,1161 0.059,1162 3.804,1163 1.341,1164 3.993,1165 4.036,1166 4.014,1167 3.883,1168 6.456,1169 3.892,1170 3.882,1171 3.914,1172 3.911,1173 3.808,1174 5.05,1175 3.808,1176 3.712,1177 3.77,1178 3.672,1179 3.539,1180 4.929,1181 3.56,1182 3.579,1183 3.64,1184 3.437,1185 3.407,1186 4.818,1187 3.403,1188 3.131,1189 3.203,1190 3.32,1191 2.95,1192 4.366,1193 2.957,1194 3.041,1195 3.119,1196 2.988,1197 2.814,1198 4.175,1199 2.814,1200 2.878,1201 2.921,1202 2.882,1203 2.774,1204 4.059,1205 2.759,1206 2.824,1207 2.89,1208 2.715,1209 2.649,1210 3.906,1211 2.653,1212 0.16,1213 0.112,1214 0.23,1215 0.145,1216 0.109,1217 4.307,1218 0.147,1219 3.031,1220 0.015,1221 6.198,1222 0.345,1223 3.905,1224 0.105,1225 2.937,1226 3.968,1227 0.4,1228 9.306,1229 2.846,1230 1.919,1231 1.886,1232 2.001,1233 2.058,1234 1.185,1235 2.043,1236 1.865,1237 1.837,1238 1.963,1239 1.967,1240 1.068,1241 1.973,1242 1.656,1243 1.598,1244 1.86,1245 1.854,1246 1.009,1247 1.857,1248 1.549,1249 1.491,1250 1.698,1251 1.748,1252 0.685,1253 1.745,1254 1.074,1255 1.014,1256 1.348,1257 1.366,1258 0.478,1259 1.362,1260 0.972,1261 0.894,1262 1.216,1263 1.236,1264 0.287,1265 1.234,1266 0.867,1267 0.824,1268 1.091,1269 1.016,1270 0.174,1271 1.056,1272 0.803,1273 0.742,1274 1.04,1275 0.998,1276 0.126,1277 1.019,1278 4.007,1280 5.273,1282 6.735,1284 8.287,1286 9.885,1289 6.001,1293 8.857,1294 1.523,1296 6.405,1305 28.337,1306 71.602,1307 160.926,1308 205.72,1309 227.329,1310 227.329,1311 227.329,1312 35.861,1313 7.072,1314 82.96,1315 82.96,1316 18,1317 12.11,1318 4.248,1319 3.322,1320 41.846,1321 97,1322 116,1323 0.208,1324 181.206,1325 305.42,1326 433.904,1327 11285,1328 2.3,1329 17.485,1330 0.699,1331 0.57,1332 17.985,1333 14.24,1334 12.242,1335 0.453,1336 0.306,1337 7.814,1338 11.505,1339 7.643,1340 6.352,1341 12.53,1342 8.27,1343 10.455,1344 0.299,1345 0.167,1346 10.863,1347 5.828,1348 8.241,1349 0.192,1350 0.085,1351 8.503,1352 3.665,1353 6.926,1354 0.126,1355 0.045,1356 7.195,1357 2.458,1358 5.508,1359 0.081,1360 0.023,1361 5.674,1362 1.565,1363 0.329,1364 79.602,1365 0.233,1366 24.633,1367 0.557,1368 124,1369 371.954,1370 149.618,1371 395.383,1372 529.4,1373 370,1374 140,1375 361.364,1376 160.025,1377 379.049,1378 545.03,1379 356,1380 5}
{0 CHEMBL1782082,1 1.337,2 15.6,3 5.211,4 27.152,5 122.876,6 6.203,8 4.238,9 4.368,10 3.615,11 3.744,12 5.216,13 3.681,14 4.829,15 5.028,16 3.948,17 4.133,18 5.787,19 4.033,20 5.092,21 5.31,22 3.968,23 4.275,24 6.018,25 4.144,26 5.229,27 5.493,28 3.921,29 4.283,30 6.17,31 4.119,32 5.216,33 5.504,34 3.819,35 4.237,36 6.064,37 4.057,38 5.098,39 5.39,40 3.783,41 4.135,42 6.021,43 3.969,44 4.902,45 5.136,46 3.652,47 4.078,48 5.867,49 3.906,50 5.08,51 5.386,52 3.491,53 4.049,54 5.81,55 3.837,56 0.065,57 0.876,58 16.161,59 7.009,60 11.82,61 9.573,62 0.381,63 1.397,64 29.284,65 11.554,66 39.718,67 16.182,68 0.318,69 1.694,70 37.983,71 14.179,72 52.12,73 19.977,74 0.704,75 1.789,76 43.448,77 15.34,78 101.924,79 22.053,80 0.534,81 1.747,82 42.246,83 14.906,84 76.259,85 21.779,86 0.525,87 1.556,88 37.524,89 13.299,90 83.779,91 19.411,92 0.304,93 1.407,94 30.923,95 12.082,96 62.086,97 17.203,98 0.427,99 1.477,100 36.55,101 12.782,102 57.973,103 18.8,104 62,105 41,106 0.215,107 0.464,108 0.63,109 0.735,110 0.803,111 0.835,112 3.439,113 1.071,114 -4.66,115 -4.58,116 -4.31,119 37.3,120 4,121 8,122 1,127 1,128 1,135 4,136 4,158 2,172 19,175 5,178 3,180 3,183 21,188 5,193 2,196 20,199 2,200 2,203 1,205 4,208 19,212 1,213 3,218 3,221 18,225 3,228 1,229 1,230 2,233 19,238 4,241 1,243 3,246 15,250 3,255 2,258 13,263 3,268 2,271 13,275 1682,276 19.482,277 19.482,278 19.482,279 19.482,280 19.482,281 17.875,282 23.698,283 11.746,284 19.538,285 15.282,286 15.282,287 15.282,288 15.282,289 15.282,290 12.93,291 24.557,292 5.612,293 15.358,294 4.729,295 3.188,296 2.157,297 1.504,298 1.083,299 0.881,300 4.102,304 1,305 1,306 956,307 4.583,310 106.087,311 119.633,318 2.533,319 34.116,322 1,323 0.83,324 0.83,325 1,326 1,327 1,328 1,329 0.95,330 64.5,331 468,332 4.218,333 3.892,334 6.509,335 4.075,336 3.088,337 3.393,338 1.997,339 10.193,340 3.044,341 4.004,342 3.476,343 6.021,344 3.763,345 2.764,346 3.235,347 1.824,348 8.563,349 2.757,350 3.797,351 3.345,352 5.215,353 3.438,354 2.438,355 3.051,356 1.798,357 6.378,358 2.438,359 3.71,360 2.872,361 5.078,362 3.325,363 2.326,364 2.954,365 0.68,366 6.202,367 2.324,368 3.621,369 2.773,370 4.991,371 3.175,372 2.177,373 2.859,374 0.68,375 5.974,376 2.173,377 3.399,378 2.649,379 4.641,380 3.15,381 2.16,382 2.496,383 0.68,384 5.134,385 2.126,386 3.083,387 2.626,388 4.639,389 2.741,390 1.704,391 2.104,392 0.472,393 4.659,394 1.744,395 2.66,396 2.108,397 4.223,398 2.531,399 1.53,400 1.632,402 3.864,403 1.53,404 2.392,405 1.706,406 3.896,407 2.288,408 1.29,409 1.366,411 2.865,412 1.287,413 2.205,414 1.583,415 3.536,416 2.106,417 1.107,418 1.166,420 2.711,421 1.105,422 2.033,423 1.469,424 3.316,425 1.93,426 0.943,427 0.983,429 2.258,430 0.927,431 1.88,432 1.3,433 2.999,434 1.794,435 0.803,436 0.832,438 1.71,439 0.793,440 1.248,441 0.875,442 2.704,443 1.152,444 0.17,445 0.174,447 0.4,448 0.166,449 1.031,450 0.759,451 2.523,452 0.84,453 -0.158,454 -0.175,456 -0.361,457 -0.158,458 1,459 0.463,460 2.303,461 0.606,462 -0.392,463 -0.42,465 -0.855,466 -0.39,467 14.233,468 0.474,469 0.829,470 0.028,471 24.25,472 0.808,473 7,474 0.233,475 17.25,476 0.575,477 37.492,478 1.25,479 35.567,480 0.531,481 16.943,482 0.565,483 4.405,484 0.147,485 9.852,486 0.328,487 0.211,489 0.316,493 0.764,494 1.327,495 1.001,496 1.268,497 0.697,498 1.179,499 0.647,500 1.166,501 0.943,502 1.155,503 0.569,504 1.102,505 1.09,506 1.261,507 1.163,508 1.28,509 1.03,510 1.238,511 0.934,512 0.988,513 1.003,514 1.012,515 0.833,516 1.02,517 0.848,518 0.923,519 0.908,520 0.925,521 0.818,522 0.926,523 0.747,524 0.809,525 0.796,526 0.82,527 0.807,528 0.816,529 0.668,530 1.345,531 1.169,532 1.38,533 0.74,534 1.351,535 0.935,536 0.841,537 0.942,538 0.861,539 0.791,540 0.899,541 7,542 0.186,543 3.333,544 2.132,545 1.103,546 0.99,547 0.65,548 0.315,549 0.183,550 0.21,551 13428,552 29988,553 1.921,554 55.2,555 24,556 5,557 1,559 2,560 3,561 2,564 1.719,565 1.765,566 3.868,567 0.144,574 89.582,575 1.337,576 2.878,577 3.909,578 4.562,579 4.984,580 5.185,581 3.381,582 4.574,583 4.875,584 4.112,585 1788.79,586 8.455,587 28164.7,592 406.428,593 1.524,594 4.812,595 0.226,596 0.008,597 0.081,598 0.055,599 0.031,600 0.03,601 0.02,602 0.012,603 0.008,604 0.01,605 0.479,606 0.17,607 1,608 2.616,609 161.442,610 -0.032,611 -0.015,612 0.016,613 0.002,614 -0.065,615 0.014,616 0.209,617 -0.024,618 0.056,619 -0.027,620 0.095,621 -0.013,622 -0.077,623 -0.186,624 -0.156,625 -0.209,626 -0.096,627 -0.194,628 0.115,629 -0.019,630 -0.013,631 -0.028,632 0.096,633 -0.038,634 0.045,635 0.02,636 0.054,637 0.034,638 0.024,639 0.044,640 0.123,641 0.132,642 0.164,643 0.136,644 0.119,645 0.153,646 0.067,647 -0.281,648 -0.208,649 -0.3,650 0.055,651 -0.294,652 -0.062,653 0.065,654 0.008,655 0.069,656 -0.046,657 0.051,658 2.327,659 4.798,660 0.367,661 40.476,662 0.99,663 1.131,664 3.43,665 11.764,666 0.62,667 3.466,668 3.738,669 3.871,670 4.043,671 4.127,672 4.174,673 4.205,674 4.22,675 4.205,676 4.174,677 9.115,678 0.573,679 415.63,680 3.466,681 4.977,682 5.771,683 6.613,684 7.431,685 8.28,686 9.111,687 9.966,688 10.807,689 11.667,690 1.5,697 1,732 67,734 6,736 31,738 68,739 25,745 2,746 2,751 4,754 3,755 1,757 9,759 10,760 15,761 1,763 6,768 2,770 4,772 6,778 37,779 5,780 2,781 5,787 1,789 1,792 1,793 4,808 1,809 1,827 4,828 4,833 1,834 1,835 2,839 4,843 30,850 1,851 8,853 1,854 1,856 3,867 6,868 1,870 2,871 1,874 17,875 12.783,876 6.75,877 4.247,878 1.543,879 1.223,880 0.893,881 9.905,882 8.476,883 3.638,884 4.06,885 4.248,886 4.489,887 4.7,888 4.875,889 4.997,890 5.124,891 5.252,892 5.416,893 1,894 39,895 11.241,897 4.646,898 7.767,899 21.766,901 17.572,903 2.267,904 68,908 411.989,909 115.634,910 18.011,912 103.973,915 115.634,916 515.962,917 18.011,918 35.301,919 38.287,920 80.588,921 70.699,922 12.742,923 11.771,924 400.217,926 411.989,927 133.644,928 103.973,931 388.446,932 73.832,933 53.683,935 73.588,936 22.152,937 37.905,939 411.989,940 121.984,941 115.634,944 411.989,945 42.428,946 73.206,947 18.011,948 103.973,949 411.989,950 121.984,951 115.634,953 0.573,954 0.304,955 0.15,956 0.075,957 15,958 9,959 0.147,960 10,962 1,963 4.267,964 228.492,966 11,967 145.207,973 24.464,974 12.147,975 8.464,977 121.984,985 60.694,986 649.606,987 37,992 23.161,994 8.817,996 4.467,998 66.316,999 75.81,1000 0.22,1001 0.474,1002 0.644,1003 0.752,1004 0.822,1005 0.855,1006 4.883,1007 1.53,1008 5.746,1009 4.659,1010 4.419,1011 4.745,1012 3.081,1013 6.475,1014 4.408,1015 6.045,1016 1.29,1017 7.263,1018 3.864,1019 4.007,1020 4.511,1021 2.472,1022 7.248,1023 4.003,1024 7.321,1025 1.107,1026 8.878,1027 2.865,1028 5.938,1029 6.616,1030 3.944,1031 10.288,1032 5.91,1033 8.619,1034 0.943,1035 10.549,1036 2.711,1037 6.293,1038 7.091,1039 4.028,1040 11.915,1041 6.265,1042 9.943,1043 0.803,1044 12.258,1045 2.258,1046 7.726,1047 8.707,1048 5.055,1049 14.488,1050 7.678,1051 11.28,1052 0.17,1053 13.996,1054 1.71,1055 8.453,1056 9.506,1057 5.426,1058 16.495,1059 8.398,1060 12.63,1061 -0.158,1062 15.756,1063 0.4,1064 9.682,1065 10.907,1066 6.265,1067 18.901,1068 9.61,1069 3.088,1070 -0.392,1071 17.534,1072 -0.361,1073 10.598,1074 11.876,1075 6.773,1076 21.077,1077 10.514,1078 2.764,1079 10.193,1080 19.327,1081 -0.855,1082 11.744,1083 13.171,1084 7.522,1085 23.421,1086 11.643,1087 2.438,1088 8.563,1089 21.132,1090 3.393,1091 12.755,1092 14.234,1093 8.101,1094 25.672,1095 12.641,1096 2.326,1097 6.378,1098 22.947,1099 3.235,1100 13.871,1101 15.477,1102 8.806,1103 27.995,1104 13.74,1105 2.177,1106 6.202,1107 24.771,1108 3.051,1109 14.931,1110 16.593,1111 9.425,1112 30.279,1113 14.786,1114 2.16,1115 5.974,1116 26.601,1117 2.954,1118 16.039,1119 17.81,1120 10.11,1121 32.595,1122 15.877,1123 1.704,1124 5.134,1125 28.438,1126 2.859,1127 17.125,1128 18.958,1129 10.75,1130 34.895,1131 16.947,1132 13564,1133 20692,1134 19.592,1135 41.529,1136 45.47,1137 46.88,1138 46.768,1139 44.937,1140 44.999,1141 52.491,1142 16.262,1143 121.824,1144 44.827,1145 5.196,1146 5.673,1147 6.109,1148 5.125,1149 5.088,1150 5.895,1151 3.442,1152 17.02,1153 5.032,1154 20.065,1155 1.467,1156 1.512,1157 1.509,1158 1.45,1159 1.452,1160 1.693,1161 0.525,1162 3.93,1163 1.446,1164 3.971,1165 4.002,1166 3.891,1167 3.846,1168 7.448,1169 3.847,1170 3.856,1171 3.9,1172 3.749,1173 3.755,1174 7.408,1175 3.749,1176 3.776,1177 3.82,1178 3.68,1179 3.667,1180 6.456,1181 3.661,1182 3.695,1183 3.738,1184 3.586,1185 3.57,1186 4.587,1187 3.569,1188 3.584,1189 3.636,1190 3.457,1191 3.476,1192 4.505,1193 3.466,1194 3.321,1195 3.394,1196 3.145,1197 3.155,1198 4.415,1199 3.14,1200 3.177,1201 3.265,1202 2.983,1203 3.008,1204 4.301,1205 2.987,1206 3.066,1207 3.161,1208 2.898,1209 2.862,1210 4.044,1211 2.84,1212 0.136,1213 0.126,1214 0.21,1215 0.131,1216 0.1,1217 4.218,1218 0.109,1219 3.892,1220 0.064,1221 6.509,1222 0.329,1223 4.075,1224 0.098,1225 3.088,1226 3.393,1227 1.997,1228 10.193,1229 3.044,1230 1.886,1231 1.851,1232 2.065,1233 2.019,1234 1.353,1235 2.03,1236 1.839,1237 1.8,1238 2.02,1239 1.968,1240 1.302,1241 1.989,1242 1.75,1243 1.706,1244 1.952,1245 1.884,1246 1.216,1247 1.911,1248 1.633,1249 1.584,1250 1.859,1251 1.775,1252 1.107,1253 1.806,1254 1.527,1255 1.485,1256 1.749,1257 1.69,1258 0.962,1259 1.707,1260 1.353,1261 1.313,1262 1.611,1263 1.66,1264 0.859,1265 1.61,1266 1.283,1267 1.217,1268 1.555,1269 1.503,1270 0.73,1271 1.53,1272 1.182,1273 1.097,1274 1.505,1275 1.417,1276 0.629,1277 1.461,1278 4.143,1280 5.425,1281 2.398,1282 6.864,1283 4.727,1284 8.383,1285 6.783,1286 9.952,1288 8.625,1293 10.285,1294 6.625,1296 2.3,1297 5.639,1299 -1.919,1305 38.363,1306 89.582,1307 192.848,1308 261.899,1309 305.634,1310 333.899,1311 347.408,1312 100.222,1313 6.932,1314 75.63,1315 75.63,1316 11,1317 12.222,1318 2.807,1319 2.807,1320 70.089,1321 166,1322 162,1323 0.201,1324 241.007,1325 446.66,1326 579.817,1327 9901,1329 22.096,1330 0.737,1331 0.629,1332 22.096,1333 18.87,1334 14.257,1335 0.46,1336 0.357,1337 10.973,1338 13.872,1339 10.519,1340 8.821,1341 14.257,1342 11.067,1343 12.925,1344 0.315,1345 0.214,1346 12.925,1347 8.763,1348 9.317,1349 0.198,1350 0.122,1351 9.317,1352 5.735,1353 7.284,1354 0.13,1355 0.069,1356 7.284,1357 3.859,1358 5.035,1359 0.083,1360 0.038,1361 5.035,1362 2.302,1363 0.336,1364 88.498,1365 0.226,1366 29.667,1367 0.499,1368 144,1369 389.689,1370 157.014,1371 370.09,1372 482.38,1373 344,1374 160,1375 325.254,1376 171.799,1377 330.297,1378 476.04,1379 308,1380 4.208}
{0 CHEMBL178737,1 1.637,2 12.811,3 1.698,4 2.882,5 134.974,6 8.14,7 0.465,8 4.262,9 4.37,10 3.919,11 3.79,12 5.371,13 3.806,14 4.839,15 4.996,16 4.335,17 4.239,18 5.947,19 4.238,20 5.092,21 5.27,22 4.448,23 4.434,24 6.158,25 4.407,26 5.197,27 5.385,28 4.475,29 4.478,30 6.372,31 4.443,32 5.209,33 5.396,34 4.485,35 4.459,36 6.414,37 4.423,38 5.199,39 5.402,40 4.429,41 4.438,42 6.336,43 4.391,44 5.214,45 5.43,46 4.349,47 4.382,48 6.317,49 4.335,50 5.081,51 5.291,52 4.14,53 4.25,54 6.169,55 4.181,56 0.095,57 0.974,58 10.547,59 5.083,60 9.863,61 6.115,62 0.581,63 1.65,64 22.787,65 8.572,66 32.366,67 10.632,68 0.563,69 2.008,70 31.318,71 12.257,72 46.912,73 15.42,74 0.77,75 2.182,76 36.06,77 13.384,78 97.655,79 16.951,80 0.957,81 2.172,82 36.963,83 13.601,84 89.581,85 17.3,86 0.639,87 2.099,88 37.757,89 14.479,90 76.225,91 18.919,92 0.796,93 2.088,94 40.419,95 13.907,96 91.223,97 17.845,98 0.819,99 1.83,100 34.763,101 12.003,102 87.93,103 15.187,104 10,105 64,106 0.258,107 0.625,108 0.776,109 0.858,110 0.868,111 0.868,112 3.643,113 0.862,114 -2.89,115 -2.89,116 -2.8,119 44.3,125 7,136 2,142 6,143 3,145 1,151 2,152 2,158 2,159 1,161 1,172 9,174 4,175 10,178 2,180 2,183 8,187 2,188 11,193 1,196 6,199 2,200 11,203 1,205 1,208 6,212 7,213 8,216 2,218 1,221 6,224 3,225 12,230 4,233 4,237 1,238 15,243 2,246 3,249 2,250 10,253 1,258 3,262 2,263 6,271 5,275 2401,276 25.637,277 25.637,278 25.637,279 25.637,280 25.637,281 22.865,282 24.126,283 14.811,284 26.252,285 21.253,286 21.253,287 21.253,288 21.253,289 21.253,290 16.715,291 28.026,292 7.016,293 22.193,294 4.294,295 1.969,296 1.008,297 0.492,298 0.426,299 0.426,300 4.371,305 1,306 1083,307 3.162,310 208.195,311 264.661,312 86.65,314 237.546,315 124.381,316 135.781,317 152.563,318 2.107,319 43.68,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 81,331 474,332 4.831,333 3.839,334 7.195,335 4.418,336 3.432,337 4.749,338 1.745,339 12.69,340 3.388,341 4.632,342 3.801,343 6.891,344 4.177,345 3.212,346 4.539,347 1.2,348 11.552,349 3.107,350 4.338,351 3.353,352 6.472,353 3.909,354 2.965,355 3.949,356 0.86,357 10.016,358 2.79,359 4.102,360 3.257,361 6.383,362 3.828,363 2.875,364 3.29,365 0.8,366 9.65,367 2.723,368 3.706,369 3.044,370 5.886,371 3.373,372 2.392,373 3.078,374 0.791,375 7.958,376 2.349,377 3.458,378 2.704,379 5.423,380 3.111,381 2.156,382 2.786,383 0.456,384 6.663,385 2.077,386 3.429,387 2.548,388 5.263,389 3.07,390 2.111,391 2.724,392 0.046,393 6.26,394 2.007,395 3.244,396 2.305,397 5.176,398 2.968,399 2.002,400 2.381,402 6.117,403 1.907,404 3.152,405 2.237,406 4.974,407 2.764,408 1.751,409 2.318,411 5.244,412 1.757,413 3.046,414 2.042,415 4.654,416 2.508,417 1.546,418 2.19,420 4.369,421 1.489,422 2.933,423 1.904,424 4.335,425 2.468,426 1.513,427 2.009,429 3.708,430 1.445,431 2.696,432 1.658,433 4.077,434 2.375,435 1.438,436 1.772,438 3.338,439 1.328,440 2.644,441 1.546,442 3.912,443 2.228,444 1.248,445 1.683,447 3.076,448 1.216,449 2.576,450 1.316,451 3.728,452 2.138,453 1.162,454 1.554,456 2.876,457 1.129,458 2.429,459 1.256,460 3.576,461 1.952,462 1,463 1.324,465 2.493,466 0.946,467 17.233,468 0.466,469 0.919,470 0.025,471 48.75,472 1.318,473 22,474 0.595,475 26.75,476 0.723,477 33.14,478 0.896,479 38.567,480 0.632,481 42.987,482 1.162,483 9.79,484 0.265,485 8.307,486 0.225,487 0.058,489 0.412,493 0.737,494 1.477,495 0.667,496 1.1,497 0.5,498 0.905,499 0.879,500 0.965,501 0.848,502 0.797,503 0.546,504 0.8,505 0.938,506 1.042,507 0.899,508 0.962,509 0.82,510 0.925,511 0.991,512 1.051,513 0.996,514 0.997,515 1.065,516 0.991,517 0.918,518 0.981,519 0.986,520 1.007,521 1.161,522 1.012,523 0.85,524 1.06,525 0.863,526 1.064,527 0.989,528 0.989,529 1.196,530 0.987,531 1.01,532 0.953,533 1.178,534 0.945,535 1.227,536 0.959,537 1.214,538 1.016,539 1.3,540 1.097,541 5.5,542 0.198,543 4.444,544 3.931,545 2.137,546 1.56,547 1.183,548 0.715,549 0.432,550 0.279,551 21361,552 57462,553 2.228,554 39.3,556 20,557 2,558 1,559 1,564 1.784,565 2.114,566 3.593,567 -0.338,574 99.844,575 1.637,576 3.962,577 4.922,578 5.439,579 5.505,580 5.505,581 3.123,582 5.047,583 5.177,584 3.763,585 2505.89,586 9.13,587 38153.2,592 361.775,593 1.316,594 5.155,595 0.128,596 0.006,597 0.069,598 0.055,599 0.03,600 0.022,601 0.018,602 0.012,603 0.009,604 0.007,605 0.357,606 0.5,607 0.75,608 0.435,609 199.723,610 -0.053,611 -0.316,612 0.074,613 -0.114,614 -0.015,615 -0.018,616 0.018,617 0.172,618 0.01,619 0.145,620 0.028,621 0.088,622 -0.076,623 -0.003,624 0.005,625 0.027,626 -0.041,627 0.034,628 -0.054,629 -0.026,630 -0.058,631 -0.019,632 0.009,633 -0.032,634 0.097,635 0.034,636 -0.031,637 -0.033,638 0.009,639 -0.058,640 0.038,641 -0.101,642 0.109,643 -0.053,644 0.048,645 0.024,646 -0.146,647 -0.032,648 0.009,649 0.031,650 -0.076,651 0.05,652 -0.159,653 0.012,654 -0.207,655 -0.041,656 -0.175,657 -0.119,658 2.1,659 6.216,660 0.892,661 40.634,662 1.014,663 1.124,664 1.658,665 2.748,666 0.684,667 3.784,668 4.174,669 4.564,670 4.942,671 5.215,672 5.425,673 5.68,674 5.911,675 6.089,676 6.269,677 7.267,678 0.668,679 496.57,680 3.784,681 5.371,682 6.279,683 7.206,684 8.131,685 9.067,686 10,687 10.94,688 11.878,689 12.821,690 9.8,697 3,698 2,700 1,705 3,706 9,707 1,711 3,712 1,713 20,732 61,734 24,735 1,736 43,738 67,739 27,740 15,741 3,742 3,743 4,745 7,746 12,750 1,759 20,760 7,763 4,768 3,772 5,778 24,779 8,780 1,781 10,784 1,787 6,789 1,792 0.571,793 4,802 1,804 1,808 3,809 3,810 1,812 2,813 1,814 1,815 1,828 2,834 1,835 4,843 37,851 7,853 1,854 1,857 2,867 6.6,870 3,871 1,874 17.5,875 11.167,876 7.861,877 3.764,878 4.497,879 1.471,880 1.066,881 5.34,882 14.042,883 4.06,884 4.714,885 5.411,886 6.094,887 6.662,888 7.138,889 7.68,890 8.191,891 8.553,892 9.004,893 0.889,894 71,895 13.828,897 6.289,898 7.793,899 26.307,901 22.883,903 2.293,904 84.833,908 270.735,909 139.33,910 44.23,912 86.435,915 139.33,916 357.17,917 44.23,919 43.973,920 74.952,921 126.116,922 27.548,923 32.719,924 235.422,926 270.735,927 183.56,928 86.435,931 270.735,932 75.435,933 11,935 57.921,936 108.854,937 16.786,939 270.735,940 130.665,941 139.33,944 270.735,945 55.33,946 93.434,947 18.011,948 103.22,949 270.735,950 130.665,951 139.33,953 0.593,954 0.368,955 0.218,956 0.119,957 36,958 15,959 0.03,960 2,961 4,962 1.212,963 4.588,964 411.19,965 0.242,966 32,967 186.75,973 22.577,974 8.751,975 3.581,976 2.553,977 127.48,978 16.928,979 4.417,983 2.277,984 2.099,985 18.011,986 540.73,987 57,992 39.401,996 -0.175,998 61.872,999 68.564,1000 0.276,1001 0.668,1002 0.83,1003 0.917,1004 0.928,1005 0.928,1006 5.342,1007 2.002,1008 6.286,1009 6.26,1010 4.86,1011 5.403,1012 2.585,1013 7.192,1014 4.784,1015 6.57,1016 1.751,1017 7.898,1018 6.117,1019 4.511,1020 5.338,1021 1.404,1022 8.26,1023 4.418,1024 7.911,1025 1.546,1026 9.613,1027 5.244,1028 6.535,1029 7.695,1030 2.996,1031 11.452,1032 6.393,1033 9.293,1034 1.513,1035 11.391,1036 4.369,1037 7.057,1038 8.529,1039 2.615,1040 13.386,1041 6.902,1042 10.714,1043 1.438,1044 13.21,1045 3.708,1046 8.54,1047 10.362,1048 3.729,1049 16.098,1050 8.345,1051 12.162,1052 1.248,1053 15.056,1054 3.338,1055 9.447,1056 11.595,1057 3.796,1058 18.373,1059 9.241,1060 13.633,1061 1.162,1062 16.923,1063 3.076,1064 10.734,1065 13.236,1066 4.649,1067 20.936,1068 10.5,1069 3.432,1070 1,1071 18.805,1072 2.876,1073 11.808,1074 14.643,1075 4.954,1076 23.348,1077 11.563,1078 3.212,1079 12.69,1080 20.699,1081 2.493,1082 13.028,1083 16.214,1084 5.667,1085 25.868,1086 12.762,1087 2.965,1088 11.552,1089 22.603,1090 4.749,1091 14.173,1092 17.695,1093 6.094,1094 28.337,1095 13.897,1096 2.875,1097 10.016,1098 24.514,1099 4.539,1100 15.374,1101 19.242,1102 6.733,1103 30.848,1104 15.082,1105 2.392,1106 9.65,1107 26.432,1108 3.949,1109 16.55,1110 20.755,1111 7.223,1112 33.344,1113 16.249,1114 2.156,1115 7.958,1116 28.355,1117 3.29,1118 17.748,1119 22.295,1120 7.823,1121 35.857,1122 17.435,1123 2.111,1124 6.663,1125 30.283,1126 3.078,1127 18.94,1128 23.822,1129 8.345,1130 38.366,1131 18.618,1132 19180,1133 31635,1134 29.649,1135 41.705,1136 67.279,1137 69.473,1138 68.451,1139 66.535,1140 66.59,1141 86.687,1142 11.797,1143 204.067,1144 64.089,1145 5.831,1146 5.839,1147 6.997,1148 5.522,1149 5.432,1150 7.749,1151 3.033,1152 20.512,1153 5.388,1154 13.801,1155 1.565,1156 1.616,1157 1.592,1158 1.547,1159 1.549,1160 2.016,1161 0.274,1162 4.746,1163 1.49,1164 4.211,1165 4.244,1166 4.184,1167 4.116,1168 7.45,1169 4.128,1170 4.093,1171 4.138,1172 4.061,1173 3.953,1174 7.427,1175 3.975,1176 3.825,1177 3.874,1178 3.766,1179 3.646,1180 7.408,1181 3.668,1182 3.765,1183 3.791,1184 3.708,1185 3.571,1186 5.059,1187 3.596,1188 3.541,1189 3.601,1190 3.424,1191 3.366,1192 4.901,1193 3.368,1194 3.445,1195 3.499,1196 3.357,1197 3.285,1198 4.614,1199 3.295,1200 3.32,1201 3.372,1202 3.235,1203 3.155,1204 4.349,1205 3.175,1206 3.111,1207 3.206,1208 3.012,1209 2.941,1210 4.275,1211 2.91,1212 0.112,1213 0.089,1214 0.167,1215 0.103,1216 0.08,1217 4.831,1218 0.11,1219 3.839,1220 0.041,1221 7.195,1222 0.295,1223 4.418,1224 0.079,1225 3.432,1226 4.749,1227 1.745,1228 12.69,1229 3.388,1230 1.967,1231 1.948,1232 2.042,1233 2.064,1234 1.254,1235 2.052,1236 1.903,1237 1.863,1238 1.995,1239 2.033,1240 1.202,1241 2.029,1242 1.732,1243 1.68,1244 1.926,1245 1.986,1246 1.137,1247 1.969,1248 1.701,1249 1.668,1250 1.842,1251 1.867,1252 1.099,1253 1.863,1254 1.576,1255 1.516,1256 1.725,1257 1.754,1258 0.928,1259 1.746,1260 1.424,1261 1.383,1262 1.551,1263 1.649,1264 0.825,1265 1.606,1266 1.243,1267 1.206,1268 1.513,1269 1.54,1270 0.686,1271 1.499,1272 1.153,1273 1.1,1274 1.38,1275 1.376,1276 0.467,1277 1.429,1278 4.466,1280 5.838,1281 3.434,1282 7.403,1283 5.938,1284 9.058,1285 8.138,1286 10.762,1294 3.905,1296 2.49,1297 5.401,1300 3.721,1305 40.729,1306 99.844,1307 241.678,1308 300.265,1309 331.775,1310 335.775,1311 335.775,1312 65.803,1313 9.544,1314 104.94,1315 104.94,1316 40,1317 13.316,1318 4.644,1319 3.907,1320 46.7,1321 161,1322 182,1323 0.143,1324 239.632,1325 415.02,1326 576.462,1327 222184,1329 25.095,1330 0.678,1331 0.541,1332 25.095,1333 20.015,1334 18.097,1335 0.421,1336 0.287,1337 12.129,1338 17.248,1339 11.967,1340 9.73,1341 18.097,1342 12.351,1343 16.717,1344 0.261,1345 0.148,1346 16.717,1347 9.459,1348 15.351,1349 0.162,1350 0.078,1351 15.351,1352 7.38,1353 14.082,1354 0.101,1355 0.041,1356 14.082,1357 5.646,1358 11.735,1359 0.064,1360 0.022,1361 11.735,1362 3.996,1363 0.221,1364 114.441,1365 0.184,1366 33.086,1367 0.404,1368 214,1369 637.501,1370 237.509,1371 606.154,1372 839.74,1373 570,1374 266,1375 627.94,1376 291.622,1377 630.58,1378 947.05,1379 596,1380 5.3}
{0 CHEMBL178945,1 1.598,2 11.556,3 4.905,4 24.058,5 143.651,6 8.125,7 0.61,8 4.228,9 4.339,10 3.918,11 3.847,12 5.335,13 3.812,14 4.759,15 4.92,16 4.315,17 4.261,18 5.832,19 4.215,20 4.959,21 5.141,22 4.331,23 4.366,24 6.004,25 4.299,26 5.071,27 5.279,28 4.438,29 4.439,30 6.189,31 4.369,32 5.08,33 5.26,34 4.493,35 4.475,36 6.216,37 4.412,38 5.138,39 5.325,40 4.512,41 4.491,42 6.297,43 4.431,44 5.141,45 5.32,46 4.477,47 4.466,48 6.331,49 4.401,50 5.107,51 5.303,52 4.307,53 4.372,54 6.244,55 4.287,56 0.04,57 0.919,58 11.202,59 5.42,60 7.291,61 6.625,62 0.262,63 1.552,64 23.351,65 9.047,66 22.014,67 11.317,68 0.199,69 1.798,70 29.972,71 11.992,72 27.893,73 14.919,74 0.46,75 2.016,76 35.132,77 13.33,78 65.961,79 17.145,80 0.407,81 2.027,82 33.128,83 13.421,84 43.171,85 16.871,86 0.396,87 2.112,88 37.238,89 14.316,90 49.881,91 17.547,92 0.424,93 2.109,94 37.357,95 13.825,96 69.81,97 16.344,98 0.432,99 1.982,100 37.383,101 13.762,102 75.193,103 16.596,104 21,105 60,106 0.252,107 0.59,108 0.736,109 0.827,110 0.863,111 0.873,112 3.617,113 0.933,114 -4.69,115 -4.61,116 -4.33,119 45.9,121 1,124 2,125 2,136 2,142 10,143 3,146 1,151 2,152 2,153 1,158 2,166 1,172 12,175 13,178 2,180 2,183 14,188 14,193 1,196 10,199 3,200 10,203 1,205 2,208 16,212 4,213 6,216 2,218 2,221 20,224 3,225 11,230 4,233 15,237 1,238 16,243 5,246 9,250 15,255 1,258 9,262 1,263 8,266 1,271 10,275 2418,276 24.69,277 24.69,278 24.69,279 24.69,280 24.69,281 21.465,282 21.556,283 14.501,284 25.204,285 20.296,286 20.296,287 20.296,288 20.296,289 20.296,290 15.216,291 20.369,292 6.9,293 21.118,294 4.333,295 2.185,296 1.258,297 0.68,298 0.451,299 0.385,300 4.332,305 1,306 926,307 3.536,310 294.585,311 174.135,314 260.359,318 1.753,319 29.704,322 1,323 0.67,324 1,325 0.6,326 0.5,327 1,328 1,329 0.82,330 76.5,331 416,332 4.833,333 3.839,334 7.194,335 4.424,336 3.436,337 4.731,338 1.2,339 12.689,340 3.398,341 4.662,342 3.339,343 6.87,344 4.19,345 3.226,346 4.62,347 0.8,348 11.499,349 3.117,350 4.385,351 3.259,352 6.597,353 3.948,354 2.978,355 3.966,356 0.8,357 10.468,358 2.886,359 3.956,360 3.171,361 6.049,362 3.476,363 2.548,364 3.54,366 8.514,367 2.347,368 3.566,369 2.677,370 5.704,371 3.225,372 2.267,373 2.89,375 7.349,376 2.185,377 3.433,378 2.58,379 5.342,380 3.143,381 2.184,382 2.753,384 6.304,385 2.079,386 3.347,387 2.388,388 5.061,389 2.996,390 2.024,391 2.637,393 5.626,394 1.949,395 3.211,396 2.134,397 4.826,398 2.902,399 1.918,400 2.548,402 5.148,403 1.877,404 3.204,405 1.935,406 4.652,407 2.677,408 1.726,409 2.307,411 4.811,412 1.678,413 3.149,414 1.738,415 4.578,416 2.667,417 1.648,418 2.217,420 4.43,421 1.62,422 2.843,423 1.452,424 4.35,425 2.328,426 1.332,427 1.921,429 3.613,430 1.324,431 2.701,432 1.311,433 3.755,434 2.251,435 1.266,436 1.788,438 2.863,439 1.244,440 2.655,441 1.237,442 3.618,443 2.177,444 1.2,445 1.695,447 2.794,448 1.168,449 2.473,450 1.131,451 3.592,452 2.051,453 1.069,454 1.45,456 2.597,457 1.044,458 2.318,459 0.991,460 3.573,461 1.899,462 0.922,463 1.217,465 2.297,466 0.896,467 17.5,468 0.486,469 0.905,470 0.025,471 48.25,472 1.34,473 24.5,474 0.681,475 23.75,476 0.66,477 32.598,478 0.905,479 36.5,480 0.598,481 41.269,482 1.146,483 9.511,484 0.264,485 8.014,486 0.223,487 0.095,489 0.383,493 0.669,494 1.185,495 0.702,496 0.911,497 0.529,498 0.858,499 0.812,500 1.021,501 0.822,502 0.833,503 0.524,504 0.787,505 1.001,506 1.104,507 0.914,508 0.98,509 0.896,510 0.944,511 0.785,512 0.853,513 0.756,514 0.764,515 0.587,516 0.766,517 0.852,518 0.981,519 0.817,520 0.925,521 0.954,522 0.916,523 1.147,524 1.008,525 0.887,526 0.932,527 1.216,528 0.885,529 1.531,530 1.078,531 1.023,532 1.029,533 1.684,534 1.017,535 1.544,536 1.107,537 1.051,538 1.054,539 1.755,540 1.08,541 5.5,542 0.204,543 4,544 3.625,545 1.959,546 1.64,547 1.274,548 0.856,549 0.535,550 0.348,551 18089,552 45417,553 2.168,554 41,556 20,557 2,559 1,562 2,564 1.782,565 2.038,566 3.476,567 -0.383,574 97.463,575 1.598,576 3.746,577 4.673,578 5.25,579 5.48,580 5.545,581 2.926,582 4.837,583 5.136,584 3.637,585 2291.38,586 9.08,587 34347.8,592 361.775,593 1.382,594 5.107,595 0.134,596 0.006,597 0.067,598 0.059,599 0.029,600 0.023,601 0.018,602 0.013,603 0.01,604 0.008,605 0.368,606 0.17,607 0.75,608 1.07,609 191.699,610 0.031,611 -0.093,612 0.074,614 -0.033,615 0.015,616 0.047,617 0.079,618 0.071,619 0.1,620 0.061,621 0.111,622 -0.079,623 -0.086,624 -0.017,625 -0.036,626 -0.033,627 -0.002,628 0.158,629 0.17,630 0.162,631 0.171,632 0.24,633 0.191,634 0.177,635 0.038,636 0.068,637 0.003,638 0.073,639 0.016,640 0.033,641 0.002,642 0.056,643 0.019,644 0.042,645 0.053,646 -0.164,647 -0.064,648 -0.077,649 -0.087,650 -0.123,651 -0.1,652 -0.195,653 -0.135,654 -0.111,655 -0.113,656 -0.169,657 -0.135,658 2.077,659 6.262,660 0.778,661 37.241,662 1.001,663 1.114,664 3.46,665 11.972,666 0.708,667 3.738,668 4.111,669 4.477,670 4.868,671 5.124,672 5.357,673 5.609,674 5.805,675 5.916,676 6.026,677 6.827,678 0.672,679 495.65,680 3.738,681 5.313,682 6.209,683 7.133,684 8.056,685 8.994,686 9.929,687 10.873,688 11.816,689 12.763,690 8.2,693 1,697 1,698 2,700 1,705 4,706 12,707 1,710 1,711 3,712 2,713 25,732 61,734 28,735 2,736 41,738 66,739 28,740 19,741 4,742 8,743 4,745 6,746 8,757 1,759 23,760 5,763 3,768 2,772 4,778 25,779 5,780 1,781 8,782 1,787 5,789 1,792 0.667,793 2,800 1,804 1,808 4,809 2,812 2,828 2,831 1,835 4,837 1,839 2,843 36,851 3,853 1,857 1,862 1,867 3.3,870 2,874 17.667,875 11.8,876 7.75,877 3.664,878 4.919,879 1.552,880 1.051,881 5.922,882 13.827,883 4.052,884 4.725,885 5.439,886 6.157,887 6.723,888 7.236,889 7.797,890 8.305,891 8.663,892 9.102,893 0.875,894 61,895 13.383,897 5.905,898 7.671,899 25.695,901 21.833,903 2.171,904 78.167,908 282.506,909 198.362,910 41.474,912 50.29,914 31.278,915 167.084,916 332.796,917 41.474,918 16.793,919 24.757,920 111.459,921 76.362,922 25.189,923 27.83,924 290.242,926 282.506,927 208.558,928 50.29,929 31.278,931 258.964,932 73.832,935 35.243,936 156.652,937 16.663,938 31.278,939 282.506,940 91.764,941 198.362,944 282.506,945 70.11,946 135.052,947 18.011,948 66.953,949 282.506,950 91.764,951 198.362,953 0.585,954 0.348,955 0.209,956 0.115,957 32,958 14,959 0.106,960 7,961 2,962 1.143,963 4.458,964 386.608,965 0.143,966 28,967 184.117,969 1,973 23.048,974 9.25,975 3.973,976 3.707,977 88.088,978 23.872,979 4.888,982 1.62,983 2.31,984 4.026,985 18.011,986 572.632,987 56.5,992 26.508,996 -0.103,998 61.076,999 67.982,1000 0.269,1001 0.632,1002 0.788,1003 0.885,1004 0.924,1005 0.935,1006 5.31,1007 1.918,1008 6.213,1009 5.626,1010 4.796,1011 5.414,1012 1.812,1013 7.112,1014 4.728,1015 6.549,1016 1.726,1017 7.818,1018 5.148,1019 4.443,1020 5.316,1021 0.325,1022 8.182,1023 4.351,1024 7.887,1025 1.648,1026 9.53,1027 4.811,1028 6.457,1029 7.734,1030 1.861,1031 11.381,1032 6.334,1033 9.271,1034 1.332,1035 11.307,1036 4.43,1037 6.986,1038 8.551,1039 0.268,1040 13.333,1041 6.843,1042 10.694,1043 1.266,1044 13.127,1045 3.613,1046 8.463,1047 10.412,1048 2.05,1049 16.052,1050 8.3,1051 12.146,1052 1.2,1053 14.976,1054 2.863,1055 9.382,1056 11.64,1057 0.188,1058 18.341,1059 9.204,1060 13.622,1061 1.069,1062 16.847,1063 2.794,1064 10.67,1065 13.292,1066 2.313,1067 20.911,1068 10.477,1069 3.436,1070 0.922,1071 18.734,1072 2.597,1073 11.756,1074 14.699,1075 0.125,1076 23.33,1077 11.551,1078 3.226,1079 12.689,1080 20.633,1081 2.297,1082 12.981,1083 16.275,1084 2.618,1085 25.855,1086 12.763,1087 2.978,1088 11.499,1089 22.542,1090 4.731,1091 14.136,1092 17.757,1093 0.082,1094 28.328,1095 13.907,1096 2.548,1097 10.468,1098 24.459,1099 4.62,1100 15.344,1101 19.306,1102 2.946,1103 30.842,1104 15.103,1105 2.267,1106 8.514,1107 26.382,1108 3.966,1109 16.529,1110 20.82,1111 0.054,1112 33.339,1113 16.277,1114 2.184,1115 7.349,1116 28.31,1117 3.54,1118 17.734,1119 22.362,1120 3.289,1121 35.853,1122 17.471,1123 2.024,1124 6.304,1125 30.242,1126 2.89,1127 18.933,1128 23.89,1129 0.035,1130 38.362,1131 18.66,1132 16826,1133 26924,1134 27.857,1135 43.199,1136 64.162,1137 64.825,1138 64.945,1139 63.066,1140 63.173,1141 85.772,1142 5.6,1143 190.93,1144 60.973,1145 5.759,1146 5.839,1147 6.873,1148 5.538,1149 5.436,1150 7.731,1151 2.4,1152 20.549,1153 5.398,1154 16.181,1155 1.565,1156 1.581,1157 1.584,1158 1.538,1159 1.541,1160 2.092,1161 0.137,1162 4.657,1163 1.487,1164 4.205,1165 4.233,1166 4.288,1167 4.128,1168 7.45,1169 4.13,1170 4.096,1171 4.132,1172 4.122,1173 4.003,1174 7.408,1175 4.009,1176 3.803,1177 3.818,1178 3.989,1179 3.822,1180 5.023,1181 3.747,1182 3.745,1183 3.777,1184 3.733,1185 3.626,1186 4.934,1187 3.643,1188 3.695,1189 3.759,1190 3.549,1191 3.512,1192 4.621,1193 3.509,1194 3.43,1195 3.514,1196 3.306,1197 3.223,1198 4.406,1199 3.23,1200 3.332,1201 3.382,1202 3.257,1203 3.187,1204 4.324,1205 3.197,1206 3.188,1207 3.261,1208 3.044,1209 3.007,1210 4.245,1211 3.009,1212 0.118,1213 0.094,1214 0.175,1215 0.108,1216 0.084,1217 4.833,1218 0.115,1219 3.839,1220 0.029,1221 7.194,1222 0.309,1223 4.424,1224 0.083,1225 3.436,1226 4.731,1227 1.2,1228 12.689,1229 3.398,1230 1.962,1231 1.944,1232 2.046,1233 2.04,1234 1.27,1235 2.043,1236 1.931,1237 1.906,1238 2.024,1239 2.016,1240 1.188,1241 2.02,1242 1.728,1243 1.689,1244 1.932,1245 1.918,1246 1.132,1247 1.926,1248 1.665,1249 1.606,1250 1.754,1251 1.818,1252 0.928,1253 1.804,1254 1.503,1255 1.463,1256 1.701,1257 1.718,1258 0.829,1259 1.709,1260 1.425,1261 1.387,1262 1.622,1263 1.606,1264 0.705,1265 1.594,1266 1.359,1267 1.303,1268 1.453,1269 1.574,1270 0.618,1271 1.552,1272 1.281,1273 1.252,1274 1.417,1275 1.469,1276 0.493,1277 1.488,1278 4.419,1280 5.778,1281 3.714,1282 7.324,1283 6.138,1284 8.966,1285 8.289,1286 10.666,1288 4.093,1294 2.566,1296 2.54,1300 2.139,1305 40.992,1306 97.463,1307 228.517,1308 285.046,1309 320.265,1310 334.265,1311 338.265,1312 61.587,1313 8.908,1314 75.92,1315 104.16,1316 32,1317 13.255,1318 4.858,1319 4.044,1320 48.652,1321 143,1322 178,1323 0.164,1324 250.034,1325 421.07,1326 601.844,1327 100457,1329 24.811,1330 0.689,1331 0.58,1332 25.164,1333 20.88,1334 17.525,1335 0.427,1336 0.311,1337 11.806,1338 16.488,1339 11.411,1340 9.459,1341 17.979,1342 12.756,1343 16.162,1344 0.269,1345 0.168,1346 16.745,1347 10.086,1348 13.977,1349 0.161,1350 0.085,1351 14.643,1352 7.394,1353 12.927,1354 0.1,1355 0.044,1356 13.589,1357 5.644,1358 10.366,1359 0.062,1360 0.022,1361 10.761,1362 3.635,1363 0.251,1364 113.556,1365 0.189,1366 32.125,1367 0.474,1368 202,1369 545.245,1370 239.953,1371 555.958,1372 778.51,1373 522,1374 248,1375 578.374,1376 283.46,1377 602.891,1378 896.92,1379 568,1380 6.553}
{0 CHEMBL1794808,1 1.592,2 14.846,3 1.971,4 3.886,5 132.327,6 8.67,7 0.429,8 4.261,9 4.327,10 3.901,11 3.763,12 5.614,13 3.799,14 4.734,15 4.821,16 4.312,17 4.164,18 6.163,19 4.185,20 5.09,21 5.227,22 4.442,23 4.295,24 6.447,25 4.317,26 5.171,27 5.317,28 4.5,29 4.239,30 6.751,31 4.29,32 5.11,33 5.223,34 4.479,35 4.213,36 6.824,37 4.265,38 5.07,39 5.194,40 4.407,41 4.255,42 6.651,43 4.27,44 5.147,45 5.295,46 4.357,47 4.248,48 6.73,49 4.238,50 5.095,51 5.293,52 4.128,53 4.089,54 6.384,55 4.066,56 0.428,57 0.798,58 9.908,59 5.879,60 74.793,61 5.515,62 0.723,63 1.275,64 16.369,65 9.582,66 113.533,67 9.988,68 1.22,69 1.69,70 30.153,71 12.757,72 193.43,73 13.729,74 1.865,75 1.717,76 36.965,77 12.879,78 296.062,79 13.95,80 2.087,81 1.586,82 33.028,83 11.968,84 365.712,85 11.944,86 1.589,87 1.592,88 30.15,89 12.556,90 284.509,91 13.275,92 1.819,93 1.701,94 34.597,95 13.413,96 307.371,97 14.998,98 1.58,99 1.561,100 38.7,101 12.839,102 259.42,103 15.249,104 102,105 61,106 0.253,107 0.595,108 0.751,109 0.847,110 0.877,111 0.891,112 3.693,113 0.829,114 -1.75,115 -1.81,116 -1.83,119 43.5,121 2,127 3,142 9,143 5,144 4,157 1,158 3,167 1,170 1,172 10,173 1,174 1,175 7,178 2,180 13,183 13,184 2,188 10,191 1,193 11,196 6,197 1,200 9,201 1,203 4,204 2,205 10,206 1,208 6,209 2,212 2,213 9,216 7,217 1,218 5,221 10,225 2,228 3,229 3,230 10,231 2,233 11,234 2,237 3,238 8,241 2,242 2,243 11,246 8,247 1,250 7,254 2,255 7,258 6,263 7,264 2,266 3,267 2,268 2,271 7,275 3003,276 25.292,277 25.292,278 25.292,279 25.292,280 25.292,281 22.526,282 25.524,283 14.435,284 25.575,285 20.636,286 20.636,287 20.636,288 20.636,289 20.636,290 16.346,291 27.692,292 6.791,293 21.122,294 4.363,295 2.217,296 1.232,297 0.629,298 0.444,299 0.355,300 4.376,306 1226,307 4.472,310 128.406,311 429.703,318 2.363,319 95.487,322 0.25,323 0.5,324 0.5,325 0.3,327 0.33,328 0.5,329 0.34,330 89.5,331 579,332 4.632,333 3.755,334 6.99,335 4.281,336 3.282,337 4.32,338 1.674,339 11.775,340 3.278,341 4.36,342 3.694,343 6.504,344 4.005,345 3.037,346 4.03,347 1.437,348 10.032,349 2.943,350 4.203,351 3.574,352 6.299,353 3.932,354 2.951,355 3.759,356 1.058,357 9.618,358 2.89,359 4.027,360 3.516,361 6.026,362 3.761,363 2.767,364 3.35,366 8.573,367 2.731,368 3.855,369 3.062,370 5.932,371 3.579,372 2.58,373 3.062,375 8.273,376 2.566,377 3.637,378 2.919,379 5.525,380 3.246,381 2.275,382 2.931,384 6.686,385 2.2,386 3.618,387 2.639,388 5.026,389 3.236,390 2.259,391 2.859,393 6.035,394 2.183,395 3.247,396 2.63,397 4.879,398 2.87,399 1.923,400 2.481,402 5.362,403 1.819,404 3.232,405 2.269,406 4.858,407 2.816,408 1.879,409 2.444,411 5.225,412 1.749,413 2.958,414 2.232,415 4.796,416 2.785,417 1.799,418 1.997,420 4.987,421 1.746,422 2.857,423 1.913,424 4.539,425 2.498,426 1.546,427 1.941,429 4.478,430 1.46,431 2.792,432 1.848,433 4.129,434 2.308,435 1.318,436 1.833,438 3.28,439 1.292,440 2.671,441 1.806,442 3.928,443 2.211,444 1.205,445 1.636,447 2.968,448 1.194,449 2.5,450 1.72,451 3.827,452 2.057,453 1.048,454 1.5,456 2.843,457 1.045,458 2.482,459 1.336,460 3.692,461 2,462 1,463 1.359,465 2.275,466 1,467 17.567,468 0.45,469 1.303,470 0.033,471 50.5,472 1.295,473 26,474 0.667,475 24.5,476 0.628,477 34.106,478 0.875,479 43.033,480 0.694,481 51.721,482 1.326,483 10.341,484 0.265,485 8.114,486 0.208,487 0.19,489 0.455,493 0.921,494 0.957,495 0.755,496 0.88,497 0.857,498 0.779,499 0.635,500 1.191,501 0.732,502 1.151,503 0.572,504 1.023,505 0.996,506 1.187,507 0.941,508 1.142,509 0.892,510 1.047,511 1.082,512 0.992,513 0.91,514 0.952,515 1.023,516 0.878,517 1.118,518 0.917,519 1.038,520 0.909,521 1.26,522 0.931,523 0.95,524 1.075,525 1.008,526 1.086,527 0.981,528 1.078,529 0.88,530 1.124,531 1.09,532 1.156,533 0.791,534 1.193,535 1.072,536 0.934,537 1.04,538 0.957,539 1.03,540 0.983,541 9.5,542 0.284,543 5.333,544 4.104,545 3.08,546 2.063,547 1.078,548 0.821,549 0.669,550 0.392,551 24061,552 88484,553 1.977,554 37.1,556 12,559 7,562 4,564 1.793,565 1.786,566 3.804,567 3.835,574 98.683,575 1.592,576 3.737,577 4.722,578 5.325,579 5.51,580 5.599,581 3.277,582 4.875,583 5.257,584 4.025,585 2982.31,586 9.265,587 50948.7,592 369.16,593 1.559,594 5.177,595 0.226,596 0.007,597 0.087,598 0.062,599 0.046,600 0.032,601 0.017,602 0.015,603 0.015,604 0.009,605 0.517,606 0.17,607 0.63,608 0.775,609 219.271,610 -0.178,611 0.168,612 -0.061,613 0.19,614 -0.163,615 0.134,616 0.064,617 -0.086,618 0.002,619 -0.089,620 0.073,621 -0.075,622 -0.129,623 -0.156,624 -0.033,625 -0.142,626 -0.094,627 -0.071,628 -0.022,629 -0.001,630 0.101,631 0.004,632 0.011,633 0.081,634 0.048,635 0.076,636 -0.061,637 0.05,638 -0.007,639 -0.022,640 0.015,641 -0.077,642 -0.081,643 -0.083,644 0.015,645 -0.114,646 0.074,647 -0.141,648 -0.112,649 -0.17,650 0.115,651 -0.203,652 -0.118,653 -0.005,654 0.047,655 0.016,656 -0.13,657 0.074,658 3.195,659 5.97,660 0.59,661 48.154,662 1.039,663 1.119,664 0.52,665 0.271,666 0.667,667 3.761,668 4.127,669 4.394,670 4.663,671 4.836,672 4.883,673 4.949,674 4.97,675 5.13,676 5.22,677 8.656,678 0.672,679 537.51,680 3.761,681 5.333,682 6.192,683 7.089,684 7.966,685 8.864,686 9.747,687 10.645,688 11.532,689 12.431,690 1.6,697 1,706 9,711 9,713 18,718 1,720 1,722 1,723 1,729 4,732 62,734 22,735 3,736 42,738 65,739 27,740 18,741 9,742 9,743 4,745 4,746 4,754 5,757 5,759 22,760 5,763 4,768 4,772 4,778 23,779 12,780 7,781 12,787 1,792 1,793 11,795 1,808 1,809 3,833 2,835 4,843 39,850 6,851 2,853 1,854 1,856 3,867 17.7,868 1,869 5,870 4,872 1,874 21.833,875 10.533,876 8.444,877 3.344,878 3.165,879 1.387,880 0.872,881 8.226,882 11.347,883 4.025,884 4.62,885 5.166,886 5.697,887 6.166,888 6.338,889 6.595,890 6.693,891 7.08,892 7.337,893 0.9,894 66,895 14.802,897 6.985,898 8.491,899 25.793,901 21.476,903 2.991,904 116.667,908 188.338,909 124.222,910 18.011,912 367.68,915 124.222,916 556.017,917 18.011,919 23.08,920 127.97,921 331.936,922 26.928,924 188.338,926 188.338,927 142.233,928 367.68,931 141.253,932 372.081,933 42.683,935 23.08,936 119.153,939 188.338,940 385.69,941 124.222,944 188.338,945 38.936,946 85.286,947 18.011,948 367.68,949 188.338,950 385.69,951 124.222,953 0.597,954 0.353,955 0.191,956 0.102,957 28,958 16,959 0.123,960 8,962 1,963 4.647,964 385.579,966 23,967 196.131,973 28.07,974 11.429,975 6.048,977 385.69,978 10.398,983 -4.608,985 274.111,986 698.251,987 55,992 49.845,996 -4.301,998 64.422,999 69.369,1000 0.267,1001 0.628,1002 0.793,1003 0.894,1004 0.925,1005 0.94,1006 5.296,1007 1.923,1008 6.217,1009 6.035,1010 4.812,1011 5.308,1012 2.563,1013 7.067,1014 4.768,1015 6.523,1016 1.879,1017 7.812,1018 5.362,1019 4.575,1020 5.239,1022 8.054,1023 4.504,1024 7.845,1025 1.799,1026 9.503,1027 5.225,1028 6.454,1029 7.474,1030 3.323,1031 11.166,1032 6.379,1033 9.198,1034 1.546,1035 11.25,1036 4.987,1037 6.976,1038 8.167,1040 12.965,1041 6.887,1042 10.58,1043 1.318,1044 13.032,1045 4.478,1046 8.384,1047 9.943,1048 4.182,1049 15.62,1050 8.288,1051 11.983,1052 1.205,1053 14.839,1054 3.28,1055 9.246,1056 10.994,1058 17.768,1059 9.142,1060 13.403,1061 1.048,1062 16.665,1063 2.968,1064 10.48,1065 12.584,1066 5.1,1067 20.268,1068 10.368,1069 3.282,1070 1,1071 18.506,1072 2.843,1073 11.495,1074 13.815,1076 22.573,1077 11.379,1078 3.037,1079 11.775,1080 20.36,1081 2.275,1082 12.666,1083 15.322,1084 6.054,1085 25.023,1086 12.543,1087 2.951,1088 10.032,1089 22.223,1090 4.32,1091 13.753,1092 16.648,1094 27.401,1095 13.626,1096 2.767,1097 9.618,1098 24.096,1099 4.03,1100 14.904,1101 18.117,1102 7.031,1103 29.84,1104 14.773,1105 2.58,1106 8.573,1107 25.975,1108 3.759,1109 16.024,1110 19.494,1112 32.255,1113 15.891,1114 2.275,1115 8.273,1116 27.861,1117 3.35,1118 17.173,1119 20.946,1120 8.022,1121 34.696,1122 17.038,1123 2.259,1124 6.686,1125 29.752,1126 3.062,1127 18.312,1128 22.353,1130 37.13,1131 18.175,1132 23269,1133 44786,1134 26.589,1135 41.381,1136 64.737,1137 67.635,1138 67.962,1139 63.753,1140 63.517,1141 81.314,1142 8.339,1143 189.35,1144 61.982,1145 5.591,1146 5.755,1147 6.519,1148 5.365,1149 5.282,1150 7.32,1151 3.349,1152 19.322,1153 5.278,1154 26.977,1155 1.541,1156 1.61,1157 1.618,1158 1.518,1159 1.512,1160 1.936,1161 0.199,1162 4.508,1163 1.476,1164 4.038,1165 4.046,1166 4.006,1167 3.953,1168 7.476,1169 3.964,1170 3.946,1171 3.969,1172 3.891,1173 3.854,1174 7.434,1175 3.858,1176 3.877,1177 3.892,1178 3.833,1179 3.791,1180 7.428,1181 3.798,1182 3.829,1183 3.853,1184 3.744,1185 3.719,1186 7.426,1187 3.719,1188 3.361,1189 3.367,1190 3.339,1191 3.162,1192 6.491,1193 3.199,1194 3.331,1195 3.335,1196 3.271,1197 3.084,1198 6.471,1199 3.126,1200 3.29,1201 3.272,1202 3.245,1203 3.02,1204 6.467,1205 3.071,1206 3.081,1207 3.083,1208 3.02,1209 2.828,1210 6.448,1211 2.871,1212 0.11,1213 0.089,1214 0.166,1215 0.102,1216 0.078,1217 4.632,1218 0.103,1219 3.755,1220 0.04,1221 6.99,1222 0.28,1223 4.281,1224 0.078,1225 3.282,1226 4.32,1227 1.674,1228 11.775,1229 3.278,1230 1.96,1231 1.955,1232 2.016,1233 2.052,1234 1.186,1235 2.037,1236 1.896,1237 1.876,1238 1.996,1239 2.002,1240 1.148,1241 1.999,1242 1.835,1243 1.825,1244 1.914,1245 1.939,1246 1.134,1247 1.928,1248 1.594,1249 1.548,1250 1.801,1251 1.796,1252 1.052,1253 1.794,1254 1.555,1255 1.51,1256 1.772,1257 1.763,1258 1.016,1259 1.767,1260 1.211,1261 1.211,1262 1.295,1263 1.445,1264 0.338,1265 1.383,1266 1.115,1267 1.121,1268 1.237,1269 1.436,1270 0.233,1271 1.358,1272 1.093,1273 1.083,1274 1.211,1275 1.338,1276 0.218,1277 1.303,1278 4.443,1280 5.796,1281 2.398,1282 7.33,1283 4.727,1284 8.95,1285 6.783,1286 10.617,1293 59.813,1294 0.074,1296 2.664,1297 5.422,1299 -2.64,1305 41.679,1306 98.683,1307 231.721,1308 292.757,1309 330.141,1310 341.65,1311 347.16,1312 168.922,1313 8.181,1314 210.92,1315 210.92,1316 23,1317 12.956,1318 4.524,1319 3.807,1320 70.553,1321 205,1322 221,1323 0.167,1324 252.887,1325 466.89,1326 608.804,1327 47031,1329 28.43,1330 0.729,1331 0.515,1332 28.43,1333 20.067,1334 18.455,1335 0.439,1336 0.276,1337 11.41,1338 17.593,1339 11.277,1340 9.22,1341 18.455,1342 11.608,1343 17.559,1344 0.288,1345 0.146,1346 17.559,1347 8.919,1348 14.178,1349 0.177,1350 0.078,1351 14.178,1352 6.243,1353 12.139,1354 0.116,1355 0.042,1356 12.139,1357 4.37,1358 9.126,1359 0.073,1360 0.021,1361 9.126,1362 2.665,1363 0.267,1364 117.73,1365 0.194,1366 35.3,1367 0.446,1368 206,1369 779.909,1370 233.85,1371 731.814,1372 946.59,1373 670,1374 244,1375 654.305,1376 269.476,1377 653.75,1378 959.32,1379 614,1380 7.699}
{0 CHEMBL1807163,1 1.357,2 8.313,3 5.635,4 31.757,5 130.598,6 6.314,7 0.286,8 4.289,9 4.429,10 3.713,11 3.83,12 5.261,13 3.769,14 4.898,15 5.103,16 4.175,17 4.312,18 5.769,19 4.234,20 5.253,21 5.445,22 4.431,23 4.638,24 6.18,25 4.542,26 5.581,27 5.816,28 4.601,29 4.843,30 6.534,31 4.723,32 5.707,33 5.965,34 4.544,35 4.866,36 6.623,37 4.726,38 5.634,39 5.899,40 4.411,41 4.795,42 6.482,43 4.636,44 5.576,45 5.839,46 4.199,47 4.705,48 6.421,49 4.519,50 5.569,51 5.873,52 4.046,53 4.604,54 6.314,55 4.381,56 0.071,57 0.984,58 16.637,59 6.866,60 13.707,61 9.842,62 0.279,63 1.668,64 30.76,65 12.068,66 30.739,67 17.58,68 0.359,69 2.347,70 44.087,71 17.434,72 46.211,73 24.979,74 0.516,75 3.082,76 61.108,77 22.859,78 91.636,79 33.675,80 0.792,81 3.289,82 70.089,83 24.396,84 110.196,85 36.187,86 0.497,87 3.073,88 64.207,89 23.265,90 78.649,91 34.719,92 0.602,93 2.814,94 60.816,95 22.167,96 92.972,97 32.609,98 0.402,99 2.642,100 59.304,101 22.394,102 74.565,103 33.158,104 110,105 56,106 0.215,107 0.533,108 0.728,109 0.807,110 0.835,111 0.835,112 3.504,113 1.013,114 -4.85,115 -4.76,116 -4.47,119 39.1,120 6,121 3,122 2,123 2,124 1,127 1,134 1,135 1,142 1,143 4,144 1,151 1,152 1,158 2,172 18,175 4,178 2,180 4,183 26,187 1,188 6,191 1,193 5,196 28,199 1,200 7,203 1,205 8,208 25,212 1,213 8,216 1,217 1,218 5,221 25,225 10,230 5,233 24,238 5,241 1,243 4,246 16,250 8,255 6,258 15,263 9,268 3,271 11,275 1328,276 20.479,277 20.479,278 20.479,279 20.479,280 20.479,281 19.1,282 27.186,283 11.013,284 20.625,285 17.039,286 17.039,287 17.039,288 17.039,289 17.039,290 14.591,291 39.606,292 4.975,293 17.252,294 4.752,295 2.74,296 1.505,297 1.004,298 0.83,299 0.83,300 4.184,305 1,306 558,307 4.243,310 37.492,311 96.499,314 145.472,315 82.338,317 102.939,318 1.168,319 31.841,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 67.5,331 266,332 4.943,333 3.985,334 7.952,335 4.733,336 3.735,337 4.781,338 2.056,339 15.059,340 3.726,341 4.519,342 3.864,343 7.482,344 4.299,345 3.307,346 3.907,347 1.875,348 13.119,349 3.288,350 4.305,351 3.54,352 6.978,353 4.193,354 3.214,355 3.451,356 0.811,357 11.761,358 3.144,359 4.116,360 3.519,361 6.602,362 3.919,363 2.932,364 3.269,365 0.68,366 10.312,367 2.891,368 3.766,369 3.254,370 5.837,371 3.487,372 2.493,373 3.009,374 0.243,375 7.534,376 2.467,377 3.465,378 2.75,379 5.698,380 3.118,381 2.143,382 2.719,384 7.426,385 2.085,386 3.366,387 2.282,388 5.293,389 3.05,390 2.052,391 2.555,393 6.132,394 2.04,395 2.972,396 2.16,397 4.927,398 2.737,399 1.724,400 2.016,402 4.987,403 1.741,404 2.885,405 1.786,406 4.613,407 2.535,408 1.518,409 1.941,411 4.067,412 1.535,413 2.527,414 1.449,415 4.395,416 2.292,417 1.295,418 1.53,420 3.507,421 1.289,422 2.389,423 1.362,424 4.322,425 2.216,426 1.258,427 1.377,429 3.293,430 1.2,431 2.289,432 0.948,433 3.859,434 1.756,435 0.807,436 1.104,438 2.11,439 0.763,440 2.134,441 0.846,442 3.664,443 1.643,444 0.643,445 0.84,447 1.31,448 0.643,449 1.419,450 0.77,451 3.447,452 1.212,453 0.218,454 0.264,456 0.401,457 0.216,458 1.228,459 0.637,460 3.113,461 0.983,462 0.002,463 0.002,465 0.004,466 0.002,467 15.367,468 0.48,469 1.317,470 0.041,471 32.25,472 1.008,473 12.5,474 0.391,475 19.75,476 0.617,477 45.805,478 1.431,479 36.233,480 0.525,481 27.403,482 0.856,483 5.296,484 0.165,485 9.645,486 0.301,487 0.304,488 0.065,489 0.384,493 0.714,494 1.352,495 0.959,496 1.179,497 0.634,498 1.101,499 0.568,500 0.985,501 0.756,502 0.874,503 0.467,504 0.835,505 0.896,506 1.177,507 1.025,508 1.122,509 0.904,510 1.094,511 0.734,512 1.186,513 0.951,514 1.109,515 0.614,516 1.056,517 1.212,518 0.995,519 1.068,520 0.979,521 1.194,522 1.003,523 0.894,524 1.089,525 1.051,526 1.085,527 0.697,528 1.076,529 1.125,530 1.08,531 1.226,532 1.15,533 1.105,534 1.19,535 0.61,536 1.047,537 0.946,538 1.094,539 0.646,540 1.059,541 9.5,543 6,544 4.438,545 3.367,546 3.102,547 1.576,548 1.076,549 0.632,550 0.237,551 9971,552 20216,553 1.958,554 53.6,555 23,556 8,557 1,559 2,560 2,561 1,564 1.758,565 1.73,566 3.012,567 0.115,574 93.602,575 1.357,576 3.368,577 4.604,578 5.104,579 5.278,580 5.278,581 2.25,582 4.688,583 4.977,584 3.142,585 1558.54,586 8.781,587 20722.2,592 421.488,593 1.805,594 4.857,595 0.271,597 0.107,598 0.063,599 0.042,600 0.042,601 0.025,602 0.022,603 0.016,604 0.009,605 0.599,606 0.33,607 1,608 1.001,609 159.283,610 -0.009,611 -0.069,612 0.051,613 0.007,614 -0.066,615 0.03,616 0.178,617 0.174,618 0.239,619 0.222,620 0.101,621 0.234,622 0.015,623 -0.024,624 -0.019,625 -0.016,626 -0.042,627 -0.024,628 0.111,629 -0.105,630 0.038,631 -0.066,632 0.131,633 -0.027,634 -0.042,635 0.036,636 -0.055,637 0.004,638 -0.069,639 -0.023,640 -0.048,641 -0.061,642 -0.071,643 -0.088,644 0.028,645 -0.08,646 -0.12,647 -0.073,648 -0.238,649 -0.155,650 -0.105,651 -0.2,652 0.052,653 -0.129,654 -0.006,655 -0.119,656 0.025,657 -0.074,658 1.918,659 6.053,660 0.594,661 22,662 0.985,663 1.13,664 3.618,665 13.087,666 0.636,667 3.584,668 4.043,669 4.407,670 4.745,671 5.056,672 5.357,673 5.587,674 5.781,675 5.948,676 6.016,677 5.271,678 0.586,679 435.67,680 3.584,681 5.209,682 6.125,683 7.083,684 8.024,685 8.988,686 9.939,687 10.906,688 11.864,689 12.832,690 4.3,696 1,697 1,698 1,705 2,706 2,708 1,711 4,713 10,727 1,732 69,734 13,735 1,736 35,738 72,739 27,740 8,741 5,742 1,745 4,746 12,751 6,752 2,753 2,754 4,757 4,759 12,760 15,761 2,763 3,764 1,768 2,770 1,772 2,778 37,779 4,780 2,781 5,787 3,789 1,792 0.25,793 2,804 1,808 1,809 2,812 2,813 1,815 1,826 1,827 1,835 1,839 7,843 32,851 3,853 1,856 3,857 1,858 2,867 2.9,870 2,874 18.5,875 14.533,876 6.792,877 4.469,878 2.312,879 1.272,880 0.934,881 5.605,882 10.801,883 3.784,884 4.41,885 5.035,886 5.692,887 6.261,888 6.804,889 7.31,890 7.714,891 8.008,892 8.251,893 0.667,894 70,895 11.988,897 5.278,898 7.635,899 23.41,901 20.534,903 2.135,904 68.333,908 411.989,909 139.158,910 37.921,912 50.29,915 139.158,916 462.278,917 37.921,918 61.348,919 41.381,920 28,921 59.699,922 34.796,923 13.915,924 400.217,926 411.989,927 177.079,928 50.29,931 400.217,932 62.061,935 95.351,936 72.251,937 9.476,939 411.989,940 88.21,941 139.158,944 411.989,945 34.043,946 92.472,947 34.796,948 66.057,949 411.989,950 88.21,951 139.158,953 0.617,954 0.385,955 0.205,956 0.111,957 30,958 16,959 0.042,960 3,961 4,962 1.368,963 3.648,964 341.096,965 0.421,966 18,967 156,973 23.105,974 7.762,975 3.373,976 2.14,977 71.425,978 4.265,980 3.547,983 4.583,985 34.796,986 639.357,987 43,988 4.205,992 25.759,994 2.084,996 -0.478,998 67.981,999 77.972,1000 0.222,1001 0.551,1002 0.754,1003 0.836,1004 0.864,1005 0.864,1006 5.133,1007 1.724,1008 6.229,1009 6.132,1010 4.727,1011 5.097,1012 2.781,1013 7.239,1014 4.704,1015 6.402,1016 1.518,1017 7.933,1018 4.987,1019 4.796,1020 5.255,1021 2.221,1022 8.751,1023 4.775,1024 7.783,1025 1.295,1026 9.75,1027 4.067,1028 6.586,1029 7.357,1030 3.758,1031 11.878,1032 6.545,1033 9.202,1034 1.258,1035 11.631,1036 3.507,1037 7.409,1038 8.299,1039 3.823,1040 14.148,1041 7.37,1042 10.653,1043 0.807,1044 13.555,1045 3.293,1046 8.805,1047 10.004,1048 4.966,1049 16.921,1050 8.752,1051 12.128,1052 0.643,1053 15.507,1054 2.11,1055 9.907,1056 11.282,1057 5.32,1058 19.448,1059 9.855,1060 13.621,1061 0.218,1062 17.481,1063 1.31,1064 11.198,1065 12.868,1066 6.262,1067 22.138,1068 11.139,1069 3.735,1070 0.002,1071 19.47,1072 0.401,1073 12.404,1074 14.298,1075 6.769,1076 24.758,1077 12.345,1078 3.307,1079 15.059,1080 21.471,1081 0.004,1082 13.674,1083 15.851,1084 7.602,1085 27.434,1086 13.611,1087 3.214,1088 13.119,1089 23.481,1090 4.781,1091 14.922,1092 17.349,1093 8.195,1094 30.092,1095 14.859,1096 2.932,1097 11.761,1098 25.499,1099 3.907,1100 16.194,1101 18.898,1102 8.97,1103 32.772,1104 16.13,1105 2.493,1106 10.312,1107 27.523,1108 3.451,1109 17.464,1110 20.429,1111 9.611,1112 35.449,1113 17.398,1114 2.143,1115 7.534,1116 29.553,1117 3.269,1118 18.743,1119 21.98,1120 10.354,1121 38.135,1122 18.677,1123 2.052,1124 7.426,1125 31.586,1126 3.009,1127 20.024,1128 23.526,1129 11.024,1130 40.823,1131 19.958,1132 9964,1133 14357,1134 21.501,1135 43.87,1136 55.792,1137 57.083,1138 60.539,1139 54.619,1140 54.68,1141 65.525,1142 11.332,1143 182.046,1144 54.058,1145 5.897,1146 5.985,1147 7.32,1148 5.789,1149 5.735,1150 7.781,1151 3.581,1152 23.676,1153 5.726,1154 22.474,1155 1.594,1156 1.631,1157 1.73,1158 1.561,1159 1.562,1160 1.872,1161 0.324,1162 5.201,1163 1.545,1164 4.206,1165 4.235,1166 4.171,1167 4.137,1168 7.446,1169 4.142,1170 3.867,1171 3.91,1172 3.782,1173 3.768,1174 7.411,1175 3.765,1176 3.78,1177 3.834,1178 3.688,1179 3.632,1180 4.95,1181 3.635,1182 3.633,1183 3.69,1184 3.496,1185 3.535,1186 4.698,1187 3.519,1188 3.541,1189 3.583,1190 3.462,1191 3.35,1192 4.405,1193 3.366,1194 3.403,1195 3.485,1196 3.247,1197 3.198,1198 4.296,1199 3.207,1200 3.299,1201 3.386,1202 3.088,1203 3.133,1204 4.122,1205 3.111,1206 3.128,1207 3.212,1208 3.005,1209 2.95,1210 4.026,1211 2.937,1212 0.141,1213 0.114,1214 0.227,1215 0.135,1216 0.107,1217 4.943,1218 0.137,1219 3.985,1220 0.059,1221 7.952,1222 0.43,1223 4.733,1224 0.106,1225 3.735,1226 4.781,1227 2.056,1228 15.059,1229 3.726,1230 2.08,1231 2.059,1232 2.179,1233 2.152,1234 1.539,1235 2.161,1236 1.791,1237 1.745,1238 1.987,1239 1.965,1240 1.273,1241 1.971,1242 1.73,1243 1.694,1244 1.92,1245 1.869,1246 1.173,1247 1.877,1248 1.673,1249 1.621,1250 1.86,1251 1.829,1252 1.103,1253 1.846,1254 1.548,1255 1.493,1256 1.739,1257 1.737,1258 0.893,1259 1.749,1260 1.357,1261 1.285,1262 1.664,1263 1.632,1264 0.805,1265 1.627,1266 1.334,1267 1.253,1268 1.606,1269 1.541,1270 0.709,1271 1.588,1272 1.164,1273 1.078,1274 1.516,1275 1.44,1276 0.576,1277 1.456,1278 4.263,1280 5.687,1281 2.398,1282 7.309,1283 4.727,1284 9.027,1285 6.88,1286 10.804,1288 15.282,1294 2.293,1296 2.633,1299 0.081,1300 2.082,1301 -0.143,1305 40.449,1306 93.602,1307 232.407,1308 317.675,1309 352.204,1310 364.204,1311 364.204,1312 80.665,1313 8.489,1314 65.2,1315 65.2,1316 26,1317 13.312,1318 3.807,1319 3.17,1320 51.093,1321 106,1322 86,1323 0.257,1324 248.074,1325 436.52,1326 597.06,1327 53961,1329 23.585,1330 0.737,1331 0.642,1332 23.585,1333 20.556,1334 14.941,1335 0.427,1336 0.338,1337 11.73,1338 14.579,1339 11.093,1340 9.334,1341 14.941,1342 11.823,1343 15.013,1344 0.268,1345 0.196,1346 15.013,1347 10.965,1348 13.027,1349 0.161,1350 0.104,1351 13.027,1352 8.404,1353 11.153,1354 0.098,1355 0.052,1356 11.153,1357 5.918,1358 8.763,1359 0.056,1360 0.028,1361 8.763,1362 4.312,1363 0.377,1364 92.286,1365 0.216,1366 28.076,1367 0.805,1368 182,1369 397.782,1370 192.618,1371 393.338,1372 548.27,1373 366,1374 228,1375 417.315,1376 239.065,1377 430.176,1378 640.24,1379 403,1380 6.18}
{0 CHEMBL1825138,1 1.778,2 11.767,3 3.694,4 13.646,5 118.112,6 8.661,7 0.515,8 4.068,9 4.188,10 3.755,11 3.612,12 5.194,13 3.597,14 4.613,15 4.779,16 4.164,17 4.02,18 5.709,19 3.988,20 4.9,21 5.103,22 4.332,23 4.171,24 6.028,25 4.108,26 4.921,27 5.125,28 4.366,29 4.168,30 6.033,31 4.081,32 4.893,33 5.122,34 4.105,35 4.074,36 6.038,37 3.981,38 4.725,39 4.942,40 4.013,41 3.993,42 5.803,43 3.908,44 4.692,45 4.901,46 4.129,47 3.992,48 5.855,49 3.904,50 4.731,51 4.963,52 3.976,53 3.926,54 5.886,55 3.828,56 0.124,57 0.843,58 8.72,59 4.5,60 12.631,61 5.562,62 0.295,63 1.327,64 18.794,65 7.839,66 27.206,67 9.848,68 0.724,69 1.546,70 32.857,71 10.809,72 68.014,73 13.474,74 0.761,75 1.529,76 41.123,77 11.496,78 68.091,79 14.309,80 0.89,81 1.468,82 39.648,83 11.066,84 85.139,85 14.164,86 0.537,87 1.357,88 25.281,89 9.144,90 52.019,91 11.785,92 0.463,93 1.286,94 27.552,95 9.058,96 51.292,97 12.149,98 0.596,99 1.34,100 30.777,101 9.101,102 68.553,103 11.935,104 26,105 47,106 0.297,107 0.679,108 0.838,109 0.866,110 0.866,111 0.866,112 3.44,113 0.955,114 -4.9,115 -4.8,116 -4.51,119 40.4,120 1,121 2,125 2,127 2,142 3,143 3,144 4,145 2,147 1,151 1,163 1,164 1,165 1,166 1,172 3,175 8,177 1,178 1,180 2,183 7,187 1,188 7,190 1,191 1,193 1,196 3,198 1,200 6,203 1,205 1,208 9,210 1,212 2,213 3,216 1,218 3,221 5,223 3,224 2,230 1,233 7,238 5,240 2,241 2,243 4,246 4,248 3,250 7,255 2,258 4,260 1,266 1,268 2,271 1,273 2,275 1486,276 20.068,277 20.068,278 20.068,279 20.068,280 20.068,281 17.901,282 23.489,283 11.629,284 20.687,285 16.228,286 16.228,287 16.228,288 16.228,289 16.228,290 13.008,291 28.517,292 5.49,293 17.389,294 3.922,295 1.637,296 0.683,297 0.515,298 0.515,299 0.515,300 4.132,301 2,304 1,305 1,306 762,307 3,310 82.892,311 310.356,318 1.916,319 36.219,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65.667,331 353,332 4.492,333 3.623,334 6.78,335 4.095,336 3.167,337 4.165,338 1.151,339 10.939,340 2.952,341 4.382,342 3.179,343 6.323,344 3.994,345 3.027,346 4.065,347 0.4,348 9.687,349 2.88,350 4.13,351 3.043,352 6.112,353 3.767,354 2.822,355 3.69,357 8.943,358 2.668,359 3.736,360 2.892,361 5.875,362 3.479,363 2.518,364 3.005,366 8.103,367 2.407,368 3.581,369 2.654,370 5.572,371 3.2,372 2.29,373 2.894,375 6.876,376 2.059,377 3.222,378 2.472,379 4.891,380 2.845,381 1.948,382 2.416,384 5.281,385 1.798,386 3.117,387 2.103,388 4.634,389 2.796,390 1.869,391 2.251,393 4.921,394 1.589,395 2.889,396 2.021,397 4.349,398 2.425,399 1.518,400 2.029,402 4.026,403 1.354,404 2.657,405 1.627,406 4.116,407 2.364,408 1.414,409 1.69,411 3.494,412 1.34,413 2.538,414 1.564,415 4.032,416 2.151,417 1.24,418 1.546,420 3.212,421 1.09,422 2.225,423 1.077,424 3.466,425 1.984,426 1,427 1.145,429 2.429,430 0.983,431 2.076,432 1,433 3.263,434 1.902,435 0.934,436 1,438 2.136,439 0.902,440 2,441 0.881,442 3.247,443 1.598,444 0.666,445 0.949,447 1.634,448 0.619,449 1.459,450 0.775,451 3.046,452 1.08,453 0.219,454 0.257,456 0.504,457 0.165,458 1.427,459 0.676,460 2.718,461 0.986,462 0.188,463 0.224,465 0.427,466 0.141,467 14.548,468 0.485,469 0.822,470 0.027,471 36.75,472 1.225,473 17,474 0.567,475 19.75,476 0.658,477 28.716,478 0.957,479 32.852,480 0.632,481 28.006,482 0.934,483 7.035,484 0.234,485 7.401,486 0.247,487 0.18,489 0.371,491 1,493 0.701,494 1.135,495 0.571,496 0.917,497 0.649,498 0.868,499 0.853,500 1.106,501 0.64,502 0.903,503 0.585,504 0.877,505 1.005,506 0.976,507 0.807,508 0.867,509 0.766,510 0.881,511 0.945,512 0.998,513 0.985,514 1.072,515 0.813,516 1.043,517 0.921,518 0.856,519 1.083,520 1.014,521 0.836,522 1.005,523 0.936,524 1.017,525 0.727,526 0.859,527 1.02,528 0.946,529 0.555,530 1.045,531 0.845,532 1.106,533 0.625,534 1.05,535 0.977,536 0.996,537 1.025,538 1.007,539 0.917,540 1.025,541 6,542 0.18,543 4.222,544 2.25,545 1.829,546 1.039,547 0.652,548 0.438,549 0.396,550 0.221,551 12062,552 37175,553 2.067,554 42.3,556 9,557 1,558 2,559 3,561 3,562 4,564 1.728,565 1.915,566 3.52,567 0.933,569 1,574 92.467,575 1.778,576 4.063,577 5.018,578 5.186,579 5.186,580 5.186,581 2.94,582 4.707,583 4.88,584 3.698,585 1608.53,586 8.51,587 22407.8,589 1,592 296.423,593 1.475,594 4.828,595 0.182,596 0.007,597 0.09,598 0.046,599 0.041,600 0.026,601 0.017,602 0.011,603 0.012,604 0.008,605 0.44,606 0.17,607 1,608 0.594,609 154.477,610 -0.04,611 -0.029,612 0.011,613 0.004,614 -0.063,615 0.028,616 -0.065,617 -0.082,618 0.05,619 0.021,620 0.049,621 0.044,622 0.001,623 -0.002,624 0.076,625 0.088,626 0.091,627 0.07,628 0.03,629 -0.094,630 0.057,631 -0.084,632 -0.004,633 -0.068,634 0.062,635 0.078,636 -0.087,637 -0.045,638 0.073,639 -0.029,640 -0.048,641 -0.008,642 0.019,643 0.079,644 -0.097,645 0.015,646 0.159,647 -0.124,648 0.086,649 -0.128,650 0.121,651 -0.058,652 -0.027,653 -0.018,654 -0.059,655 -0.047,656 0.044,657 -0.054,658 2.225,659 5.882,660 0.767,661 28.804,662 1.016,663 1.136,664 3.666,665 13.438,666 0.688,667 3.526,668 3.871,669 4.159,670 4.394,671 4.575,672 4.615,673 4.71,674 4.804,675 4.927,676 5.011,677 7.009,678 0.656,679 450.38,680 3.526,681 5.081,682 5.943,683 6.825,684 7.7,685 8.585,686 9.465,687 10.35,688 11.232,689 12.119,690 9.6,692 1,694 1,698 1,700 2,706 6,707 2,711 8,712 1,713 17,724 1,730 1,731 3,732 52,734 17,735 1,736 33,738 55,739 21,740 14,741 4,742 2,745 4,746 4,747 2,751 1,754 3,757 4,759 14,760 7,775 1,776 1,778 22,779 6,780 3,781 9,782 2,787 5,792 1,793 1,800 1,802 1,808 1,809 3,830 1,835 4,839 1,840 2,841 1,843 30,844 1,851 4,853 1,854 1,856 2,866 3,867 1.9,872 1,874 15.667,875 9.445,876 6.528,877 3.151,878 3.154,879 1.409,880 0.991,881 6.487,882 10.871,883 3.75,884 4.36,885 4.934,886 5.467,887 5.916,888 6.163,889 6.458,890 6.804,891 7.172,892 7.457,893 0.875,894 49,895 11.117,897 4.833,898 7.841,899 21.013,901 17.484,903 2.341,904 70.222,907 1,908 223.651,909 106.927,910 86.133,911 78.297,912 11,913 14.96,915 106.927,916 312.948,917 101.093,918 8.825,919 9.28,920 88.384,921 56.991,922 61.794,923 29.059,924 188.338,925 78.297,926 223.651,927 193.06,928 25.96,929 78.297,931 156.213,932 93.398,935 55.988,936 103.624,937 111.746,939 238.611,940 97.133,941 185.224,944 223.651,945 42.531,946 66.173,947 18.011,948 170.603,949 223.651,950 112.093,951 185.224,953 0.591,954 0.355,955 0.186,956 0.097,957 23,958 11,959 0.091,960 5,962 1,963 4.095,964 269.596,966 23,967 143.207,973 21.378,974 9.103,975 4.597,977 110.316,978 9.963,979 8.774,983 2.383,984 2.002,985 50.908,986 520.968,987 41.5,998 52.832,999 59.081,1000 0.312,1001 0.713,1002 0.88,1003 0.91,1004 0.91,1005 0.91,1006 5.006,1007 1.518,1008 5.943,1009 4.921,1010 4.554,1011 5.047,1012 1.378,1013 6.772,1014 4.416,1015 6.215,1016 1.414,1017 7.521,1018 4.026,1019 4.205,1020 4.902,1022 7.711,1023 3.965,1024 7.529,1025 1.24,1026 9.2,1027 3.494,1028 6.172,1029 7.234,1030 1.517,1031 10.815,1032 5.925,1033 8.879,1034 1,1035 10.935,1036 3.212,1037 6.635,1038 7.908,1040 12.566,1041 6.288,1042 10.262,1043 0.934,1044 12.707,1045 2.429,1046 8.079,1047 9.719,1048 1.732,1049 15.186,1050 7.721,1051 11.666,1052 0.666,1053 14.503,1054 2.136,1055 8.901,1056 10.762,1058 17.27,1059 8.451,1060 13.086,1061 0.219,1062 16.317,1063 1.634,1064 10.146,1065 12.359,1066 1.968,1067 19.721,1068 9.669,1069 3.167,1070 0.188,1071 18.144,1072 0.504,1073 11.131,1074 13.581,1076 21.955,1077 10.571,1078 3.027,1079 10.939,1080 19.981,1081 0.427,1082 12.298,1083 15.081,1084 2.214,1085 24.345,1086 11.697,1087 2.822,1088 9.687,1089 21.827,1090 4.165,1091 13.358,1092 16.392,1094 26.648,1095 12.681,1096 2.518,1097 8.943,1098 23.679,1099 4.065,1100 14.496,1101 17.846,1102 2.468,1103 29.02,1104 13.767,1105 2.29,1106 8.103,1107 25.537,1108 3.69,1109 15.591,1110 19.203,1112 31.358,1113 14.791,1114 1.948,1115 6.876,1116 27.4,1117 3.005,1118 16.72,1119 20.635,1120 2.727,1121 33.727,1122 15.862,1123 1.869,1124 5.281,1125 29.267,1126 2.894,1127 17.833,1128 22.017,1130 36.084,1131 16.905,1132 11474,1133 20405,1134 21.789,1135 35.75,1136 50.135,1137 51.399,1138 51.655,1139 49.79,1140 49.642,1141 62.656,1142 3.102,1143 145.223,1144 45.89,1145 5.492,1146 5.623,1147 6.582,1148 5.171,1149 5.167,1150 7.165,1151 2.302,1152 18.081,1153 4.952,1154 15.841,1155 1.519,1156 1.558,1157 1.565,1158 1.509,1159 1.504,1160 1.899,1161 0.094,1162 4.401,1163 1.391,1164 4.05,1165 4.098,1166 4.126,1167 3.928,1168 8.201,1169 3.938,1170 3.938,1171 3.957,1172 3.987,1173 3.861,1174 5.192,1175 3.864,1176 3.827,1177 3.875,1178 3.763,1179 3.681,1180 4.961,1181 3.689,1182 3.634,1183 3.702,1184 3.592,1185 3.445,1186 4.932,1187 3.463,1188 3.395,1189 3.458,1190 3.538,1191 3.223,1192 4.616,1193 3.218,1194 3.111,1195 3.206,1196 3.258,1197 2.941,1198 4.59,1199 2.91,1200 3.057,1201 3.157,1202 3.11,1203 2.847,1204 4.375,1205 2.83,1206 2.939,1207 3.019,1208 2.927,1209 2.811,1210 4.324,1211 2.829,1212 0.136,1213 0.11,1214 0.205,1215 0.124,1216 0.096,1217 4.492,1218 0.126,1219 3.623,1220 0.035,1221 6.78,1222 0.331,1223 4.095,1224 0.089,1225 3.167,1226 4.165,1227 1.151,1228 10.939,1229 2.952,1230 1.91,1231 1.897,1232 2.039,1233 2.04,1234 1.392,1235 2.043,1236 1.856,1237 1.825,1238 1.967,1239 2.012,1240 1.171,1241 2.004,1242 1.815,1243 1.758,1244 1.903,1245 1.934,1246 1.02,1247 1.932,1248 1.424,1249 1.38,1250 1.675,1251 1.62,1252 0.825,1253 1.637,1254 1.333,1255 1.272,1256 1.513,1257 1.594,1258 0.787,1259 1.566,1260 1.236,1261 1.142,1262 1.505,1263 1.503,1264 0.639,1265 1.494,1266 1.153,1267 1.064,1268 1.416,1269 1.376,1270 0.494,1271 1.429,1272 0.85,1273 0.811,1274 1.17,1275 1.191,1276 0.185,1277 1.198,1278 4.205,1280 5.541,1281 2.398,1282 7.071,1283 4.595,1284 8.686,1285 6.605,1286 10.345,1288 1.73,1289 12.314,1290 13.882,1292 6.018,1294 4.068,1296 3.356,1297 5.975,1299 -0.243,1305 34.128,1306 92.467,1307 211.298,1308 260.913,1309 269.668,1310 269.668,1311 269.668,1312 62.812,1313 7.717,1314 77.99,1315 77.99,1316 23,1317 12.651,1318 4.17,1319 3.248,1320 47.079,1321 126,1322 128,1323 0.181,1324 215.049,1325 368.88,1326 516.478,1327 25301,1328 5.8,1329 21.25,1330 0.708,1331 0.597,1332 21.38,1333 17.92,1334 14.436,1335 0.437,1336 0.318,1337 9.662,1338 13.292,1339 9.412,1340 7.725,1341 14.602,1342 10.501,1343 13.223,1344 0.281,1345 0.172,1346 13.459,1347 8.1,1348 11.471,1349 0.182,1350 0.095,1351 11.538,1352 6.003,1353 9.315,1354 0.116,1355 0.054,1356 10.096,1357 4.308,1358 7.149,1359 0.074,1360 0.027,1361 7.001,1362 2.566,1363 0.285,1364 96.919,1365 0.214,1366 28.367,1367 0.491,1368 160,1369 520.834,1370 207.403,1371 537.371,1372 710.32,1373 500,1374 190,1375 479.673,1376 233.7,1377 495.485,1378 729.49,1379 467,1380 5.1}
{0 CHEMBL183844,1 1.471,2 11.75,3 3.975,4 15.803,5 109.742,6 7.581,7 0.581,8 3.986,9 4.104,10 3.569,11 3.59,12 5.123,13 3.564,14 4.485,15 4.641,16 3.941,17 3.987,18 5.634,19 3.938,20 4.714,21 4.888,22 3.976,23 4.111,24 5.816,25 4.041,26 4.803,27 5.015,28 3.917,29 4.077,30 5.887,31 3.99,32 4.781,33 5.006,34 3.832,35 3.995,36 5.891,37 3.906,38 4.703,39 4.939,40 3.708,41 3.886,42 5.797,43 3.795,44 4.554,45 4.777,46 3.571,47 3.792,48 5.607,49 3.692,50 4.486,51 4.726,52 3.48,53 3.708,54 5.499,55 3.594,56 0.032,57 0.689,58 9.34,59 4.271,60 6.847,61 5.485,62 0.232,63 1.105,64 16.884,65 7.393,66 22.817,67 9.872,68 0.134,69 1.345,70 22.149,71 9.313,72 29.852,73 12.155,74 0.189,75 1.443,76 26.071,77 10.107,78 40.179,79 13.567,80 0.235,81 1.387,82 26.385,83 9.769,84 47.925,85 13.06,86 0.288,87 1.261,88 25.273,89 9.031,90 56.249,91 12.015,92 0.224,93 1.096,94 21.059,95 7.894,96 42.929,97 10.478,98 0.164,99 1.042,100 19.684,101 7.566,102 27.44,103 10.422,104 17,105 44,106 0.246,107 0.555,108 0.716,109 0.843,110 0.9,111 0.9,112 3.374,113 0.887,114 -4.67,115 -4.58,116 -4.31,119 46.9,120 2,125 1,142 10,143 6,144 2,158 1,159 1,172 17,175 1,178 3,179 1,180 6,183 21,188 2,193 7,196 18,200 6,205 10,208 12,213 7,218 8,221 8,225 5,230 7,233 8,238 3,243 4,246 11,250 3,254 1,255 3,258 12,263 2,266 1,268 2,271 10,275 1156,276 18.809,277 18.809,278 18.809,279 18.809,280 18.809,281 16.321,282 22.487,283 10.973,284 18.934,285 15.303,286 15.303,287 15.303,288 15.303,289 15.303,290 11.48,291 31.302,292 5.213,293 15.475,294 4.144,295 2.3,296 1.336,297 0.577,298 0.235,299 0.235,300 4.07,303 1,304 1,305 1,306 720,307 3.082,310 65.181,311 273.033,314 122.249,318 2,319 22.768,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 59.5,331 329,332 4.553,333 3.65,334 6.795,335 4.206,336 3.207,337 4.243,338 1.656,339 11.18,340 3.201,341 4.238,342 3.569,343 6.159,344 3.869,345 2.884,346 3.843,347 1.081,348 9.041,349 2.841,350 4.065,351 3.076,352 5.936,353 3.674,354 2.692,355 3.66,356 0.473,357 8.25,358 2.641,359 3.838,360 2.842,361 5.573,362 3.505,363 2.51,364 3.196,365 0.247,366 7.63,367 2.492,368 3.57,369 2.727,370 5.047,371 3.203,372 2.209,373 2.815,375 6.003,376 2.181,377 3.214,378 2.224,379 4.94,380 2.818,381 1.824,382 2.442,384 5.327,385 1.806,386 3.134,387 2.138,388 4.594,389 2.707,390 1.697,391 2.325,393 4.782,394 1.705,395 2.92,396 1.729,397 4.183,398 2.533,399 1.544,400 2.078,402 3.703,403 1.525,404 2.816,405 1.655,406 4.102,407 2.392,408 1.395,409 1.936,411 3.592,412 1.388,413 2.66,414 1.37,415 4.009,416 2.187,417 1.19,418 1.729,420 3.202,421 1.184,422 2.641,423 1.24,424 3.479,425 2.168,426 1.171,427 1.651,429 2.586,430 1.164,431 1.964,432 1.09,433 3.316,434 1.726,435 0.749,436 0.877,438 1.781,439 0.729,440 1.517,441 0.717,442 3.014,443 1.218,444 0.249,445 0.299,447 0.63,448 0.24,449 1.186,450 0.442,451 2.642,452 0.806,453 -0.181,454 -0.229,456 -0.457,457 -0.177,458 0.988,459 0.316,460 2.426,461 0.596,462 -0.419,463 -0.528,465 -0.998,466 -0.42,467 13.367,468 0.477,469 0.75,470 0.027,471 39.5,472 1.411,473 22,474 0.786,475 17.5,476 0.625,477 20.505,478 0.732,479 28.633,480 0.584,481 29.666,482 1.06,483 7.982,484 0.285,485 5.526,486 0.197,487 0.125,489 0.374,493 0.729,494 1.08,495 0.779,496 0.906,497 0.571,498 0.848,499 0.423,500 0.951,501 0.765,502 0.914,503 0.471,504 0.891,505 0.978,506 1.179,507 1.049,508 1.137,509 0.951,510 1.108,511 1.018,512 1.148,513 1.027,514 1.094,515 0.923,516 1.064,517 1.202,518 1.065,519 1.049,520 1.039,521 1.131,522 1.021,523 1.377,524 0.927,525 1.035,526 0.89,527 1.361,528 0.911,529 1.256,530 0.995,531 1.106,532 0.982,533 1.253,534 1.018,535 0.817,536 1.014,537 1.003,538 1.06,539 0.736,540 1.052,541 6,542 0.143,543 3.333,544 2.319,545 1.444,546 0.959,547 0.642,548 0.365,549 0.286,550 0.172,551 10620,552 27319,553 2.094,554 42.9,555 6,556 12,559 3,564 1.706,565 1.953,566 3.502,567 0.847,569 1,574 72.085,575 1.471,576 3.315,577 4.278,578 5.038,579 5.38,580 5.38,581 2.942,582 4.352,583 4.779,584 3.707,585 1401.38,586 8.288,587 18829.6,589 1,591 1,592 275.121,593 1.432,594 4.736,595 0.194,596 0.008,597 0.076,598 0.053,599 0.036,600 0.027,601 0.02,602 0.013,603 0.011,604 0.008,605 0.445,606 0.33,607 1,608 0.573,609 141.958,610 -0.068,611 0.031,612 0.027,613 0.062,614 -0.073,615 0.061,616 0.294,617 0.111,618 0.1,619 0.063,620 0.123,621 0.05,622 -0.097,623 -0.16,624 -0.145,625 -0.16,626 -0.091,627 -0.159,628 -0.068,629 -0.15,630 -0.062,631 -0.124,632 -0.017,633 -0.096,634 -0.101,635 -0.077,636 -0.049,637 -0.074,638 -0.033,639 -0.055,640 -0.156,641 0.046,642 -0.005,643 0.076,644 -0.097,645 0.061,646 -0.166,647 -0.018,648 -0.111,649 -0.008,650 -0.138,651 -0.045,652 0.015,653 -0.034,654 -0.016,655 -0.083,656 0.014,657 -0.057,658 1.947,659 5.322,660 0.75,661 27.378,662 0.998,663 1.115,664 3.436,665 11.804,666 0.689,667 3.466,668 3.807,669 4.078,670 4.357,671 4.543,672 4.585,673 4.71,674 4.828,675 4.844,676 4.913,677 7.041,678 0.658,679 371.47,680 3.466,681 5.017,682 5.872,683 6.758,684 7.628,685 8.517,686 9.394,687 10.285,688 11.166,689 12.058,690 6.1,697 3,706 10,711 8,713 18,720 1,732 49,734 20,735 3,736 31,738 52,739 23,740 18,741 8,742 10,743 1,745 4,746 5,750 1,751 2,759 20,760 3,763 2,768 2,772 2,775 1,778 21,779 5,780 3,781 5,787 3,792 0.75,793 2,808 1,809 3,812 1,835 3,839 2,843 28,851 1,853 3,867 4.1,870 2,874 14.333,875 9.417,876 6.056,877 2.847,878 3.388,879 1.444,880 1.023,881 4.887,882 11.01,883 3.761,884 4.376,885 4.936,886 5.515,887 6.041,888 6.244,889 6.625,890 7.003,891 7.263,892 7.572,893 0.875,894 44,895 10.344,897 4.433,898 7.774,899 19.701,901 16.257,903 2.274,904 63.667,906 1,907 1,908 211.88,909 148.126,910 54.032,912 50.29,915 148.126,916 262.17,917 54.032,918 17.65,919 56.138,920 94.762,921 54.995,922 24.627,923 4.276,924 211.88,926 211.88,927 202.158,928 50.29,931 211.88,932 50.29,935 73.788,936 128.37,939 211.88,940 104.322,941 148.126,944 211.88,945 35.713,946 112.413,947 54.032,948 50.29,949 211.88,950 104.322,951 148.126,953 0.588,954 0.343,955 0.189,956 0.099,957 22,958 10,959 0.058,960 3,961 1,962 1.095,963 4.008,964 242.717,965 0.095,966 21,967 132.606,973 18.268,974 7.49,975 3.809,977 104.322,978 19.312,983 7.345,985 54.032,986 464.328,987 42,992 24.219,996 -0.309,998 48.912,999 54.651,1000 0.262,1001 0.59,1002 0.762,1003 0.897,1004 0.958,1005 0.958,1006 5.001,1007 1.544,1008 5.866,1009 4.782,1010 4.489,1011 5.063,1012 2.15,1013 6.683,1014 4.468,1015 6.22,1016 1.395,1017 7.43,1018 3.703,1019 4.111,1020 4.89,1021 1.195,1022 7.582,1023 4.096,1024 7.533,1025 1.19,1026 9.09,1027 3.592,1028 6.089,1029 7.249,1030 2.64,1031 10.692,1032 6.047,1033 8.879,1034 1.171,1035 10.809,1036 3.202,1037 6.509,1038 7.849,1039 2.324,1040 12.436,1041 6.473,1042 10.255,1043 0.749,1044 12.565,1045 2.586,1046 7.973,1047 9.71,1048 3.362,1049 15.067,1050 7.918,1051 11.651,1052 0.249,1053 14.349,1054 1.781,1055 8.768,1056 10.688,1057 3.407,1058 17.176,1059 8.717,1060 13.064,1061 -0.181,1062 16.153,1063 0.63,1064 10.025,1065 12.327,1066 4.212,1067 19.647,1068 9.962,1069 3.207,1070 -0.419,1071 17.973,1072 -0.457,1073 10.999,1074 13.503,1075 4.464,1076 21.917,1077 10.938,1078 2.884,1079 11.18,1080 19.807,1081 -0.998,1082 12.174,1083 15.033,1084 5.137,1085 24.337,1086 12.107,1087 2.692,1088 9.041,1089 21.651,1090 4.243,1091 13.233,1092 16.318,1093 5.504,1094 26.68,1095 13.167,1096 2.51,1097 8.25,1098 23.504,1099 3.843,1100 14.379,1101 17.793,1102 6.102,1103 29.087,1104 14.31,1105 2.209,1106 7.63,1107 25.365,1108 3.66,1109 15.48,1110 19.139,1111 6.531,1112 31.464,1113 15.412,1114 1.824,1115 6.003,1116 27.232,1117 3.196,1118 16.619,1119 20.587,1120 7.088,1121 33.869,1122 16.55,1123 1.697,1124 5.327,1125 29.105,1126 2.815,1127 17.742,1128 21.969,1129 7.551,1130 36.263,1131 17.673,1132 10012,1133 16183,1134 20.69,1135 33.779,1136 47.031,1137 48.63,1138 48.49,1139 46.577,1140 46.645,1141 62.187,1142 6.914,1143 135.411,1144 46.194,1145 5.425,1146 5.65,1147 6.352,1148 5.247,1149 5.207,1150 7.243,1151 2.912,1152 18.555,1153 5.201,1154 13.766,1155 1.517,1156 1.569,1157 1.564,1158 1.502,1159 1.505,1160 2.006,1161 0.223,1162 4.368,1163 1.49,1164 4.072,1165 4.095,1166 4.029,1167 4.014,1168 7.432,1169 4.014,1170 3.93,1171 3.963,1172 3.869,1173 3.857,1174 7.428,1175 3.854,1176 3.849,1177 3.88,1178 3.792,1179 3.769,1180 4.821,1181 3.771,1182 3.449,1183 3.496,1184 3.394,1185 3.214,1186 4.749,1187 3.244,1188 3.369,1189 3.427,1190 3.277,1191 3.15,1192 4.593,1193 3.178,1194 3.172,1195 3.251,1196 3.005,1197 3.042,1198 4.056,1199 3.023,1200 3.15,1201 3.233,1202 2.954,1203 2.984,1204 4.032,1205 2.97,1206 2.988,1207 3.037,1208 2.861,1209 2.855,1210 3.897,1211 2.851,1212 0.147,1213 0.118,1214 0.219,1215 0.136,1216 0.103,1217 4.553,1218 0.137,1219 3.65,1220 0.053,1221 6.795,1222 0.361,1223 4.206,1224 0.103,1225 3.207,1226 4.243,1227 1.656,1228 11.18,1229 3.201,1230 2.004,1231 1.986,1232 2.088,1233 2.07,1234 1.261,1235 2.076,1236 1.914,1237 1.884,1238 2.036,1239 2.008,1240 1.132,1241 2.018,1242 1.79,1243 1.765,1244 1.906,1245 1.881,1246 1.053,1247 1.889,1248 1.367,1249 1.312,1250 1.577,1251 1.658,1252 0.715,1253 1.63,1254 1.301,1255 1.242,1256 1.562,1257 1.595,1258 0.616,1259 1.568,1260 1.197,1261 1.119,1262 1.53,1263 1.404,1264 0.601,1265 1.453,1266 1.157,1267 1.085,1268 1.373,1269 1.385,1270 0.348,1271 1.415,1272 1.03,1273 0.998,1274 1.197,1275 1.213,1276 0.253,1277 1.212,1278 4.143,1280 5.476,1281 2.398,1282 6.999,1283 4.727,1284 8.609,1285 6.823,1286 10.265,1288 3.938,1294 0.544,1296 8.618,1305 32.235,1306 72.085,1307 162.418,1308 209.637,1309 246.856,1310 263.611,1311 263.611,1312 44.698,1313 7.622,1314 70.23,1315 70.23,1316 23,1317 12.588,1318 4.392,1319 3.585,1320 42.677,1321 121,1322 106,1323 0.174,1324 197.995,1325 345.86,1326 474.867,1327 22447,1329 19.673,1330 0.703,1331 0.564,1332 19.673,1333 15.797,1334 13.508,1335 0.436,1336 0.296,1337 9.087,1338 13.179,1339 8.785,1340 7.339,1341 13.508,1342 9.169,1343 12.502,1344 0.284,1345 0.159,1346 12.502,1347 6.993,1348 10.34,1349 0.178,1350 0.085,1351 10.34,1352 4.908,1353 8.92,1354 0.116,1355 0.045,1356 8.92,1357 3.503,1358 6.961,1359 0.075,1360 0.024,1361 6.961,1362 2.242,1363 0.278,1364 83.474,1365 0.22,1366 27.006,1367 0.466,1368 150,1369 406.47,1370 160.423,1371 402.954,1372 554.34,1373 376,1374 177,1375 410.47,1376 186.316,1377 422.135,1378 615.05,1379 397,1380 5.1}
{0 CHEMBL184847,1 1.471,2 12.536,3 3.975,4 15.803,5 109.742,6 7.581,7 0.581,8 3.986,9 4.104,10 3.569,11 3.59,12 5.123,13 3.564,14 4.485,15 4.641,16 3.941,17 3.987,18 5.634,19 3.938,20 4.714,21 4.888,22 3.974,23 4.115,24 5.816,25 4.044,26 4.799,27 5.006,28 3.884,29 4.075,30 5.894,31 3.977,32 4.798,33 5.05,34 3.752,35 3.943,36 5.859,37 3.841,38 4.585,39 4.825,40 3.613,41 3.77,42 5.668,43 3.682,44 4.425,45 4.652,46 3.469,47 3.627,48 5.537,49 3.543,50 4.29,51 4.509,52 3.38,53 3.521,54 5.402,55 3.444,56 0.032,57 0.689,58 9.34,59 4.271,60 6.847,61 5.485,62 0.232,63 1.105,64 16.884,65 7.393,66 22.878,67 9.872,68 0.143,69 1.343,70 22.179,71 9.314,72 29.594,73 12.142,74 0.153,75 1.428,76 25.637,77 10.335,78 40.04,79 13.827,80 0.284,81 1.39,82 28.223,83 10.049,84 55.125,85 13.71,86 0.226,87 1.135,88 22.309,89 7.95,90 42.54,91 10.745,92 0.206,93 0.96,94 18.776,95 6.742,96 40.737,97 8.927,98 0.217,99 0.852,100 16.203,101 5.772,102 35.944,103 7.552,104 17,105 44,106 0.246,107 0.555,108 0.688,109 0.802,110 0.845,111 0.873,112 3.374,113 0.887,114 -4.67,115 -4.58,116 -4.31,119 46.9,120 2,125 1,142 10,143 6,144 2,158 1,159 1,172 17,175 1,178 3,179 1,180 6,183 22,188 2,193 6,196 19,200 6,205 10,208 10,213 6,218 8,221 6,225 5,230 7,233 6,238 4,243 4,246 8,250 2,254 1,255 3,258 10,263 2,266 1,268 2,271 10,275 1176,276 18.809,277 18.809,278 18.809,279 18.809,280 18.809,281 16.321,282 22.751,283 10.91,284 18.937,285 15.276,286 15.276,287 15.276,288 15.276,289 15.276,290 11.47,291 32.701,292 5.17,293 15.453,294 4.144,295 2.3,296 1.5,297 0.822,298 0.561,299 0.398,300 4.07,303 1,304 1,305 1,306 768,307 3.082,310 66.529,311 276.438,314 124.748,318 2.031,319 22.429,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 59.5,331 351,332 4.543,333 3.65,334 6.792,335 4.198,336 3.198,337 4.224,338 1.656,339 11.163,340 3.194,341 4.226,342 3.563,343 6.045,344 3.839,345 2.85,346 3.875,347 1.081,348 8.586,349 2.82,350 4.079,351 3.028,352 5.958,353 3.71,354 2.717,355 3.634,356 0.473,357 8.382,358 2.697,359 3.824,360 2.984,361 5.531,362 3.503,363 2.521,364 3.144,365 0.247,366 7.447,367 2.46,368 3.601,369 2.571,370 5.265,371 3.232,372 2.252,373 2.919,375 6.615,376 2.202,377 3.3,378 2.311,379 4.979,380 2.876,381 1.873,382 2.533,384 5.403,385 1.868,386 3.118,387 2.187,388 4.597,389 2.675,390 1.666,391 2.3,393 4.762,394 1.672,395 2.919,396 1.729,397 4.161,398 2.532,399 1.544,400 2.074,402 3.703,403 1.525,404 2.82,405 1.634,406 4.041,407 2.414,408 1.414,409 1.948,411 3.522,412 1.414,413 2.643,414 1.383,415 4.027,416 2.177,417 1.182,418 1.652,420 3.212,421 1.171,422 2.5,423 1.091,424 3.414,425 2,426 1,427 1.5,429 2.275,430 1,431 1.961,432 1,433 3.31,434 1.724,435 0.747,436 0.874,438 1.771,439 0.726,440 1.536,441 0.753,442 3.007,443 1.269,444 0.293,445 0.346,447 0.688,448 0.285,449 1.336,450 0.546,451 2.6,452 0.991,453 0.009,454 0.011,456 0.021,457 0.009,458 0.972,459 0.361,460 2.394,461 0.655,462 -0.337,463 -0.411,465 -0.858,466 -0.332,467 13.367,468 0.477,469 0.75,470 0.027,471 39.5,472 1.411,473 22,474 0.786,475 17.5,476 0.625,477 20.123,478 0.719,479 28.633,480 0.584,481 29.401,482 1.05,483 7.982,484 0.285,485 5.526,486 0.197,487 0.125,489 0.374,493 0.729,494 1.08,495 0.779,496 0.906,497 0.571,498 0.848,499 0.423,500 0.951,501 0.765,502 0.914,503 0.471,504 0.891,505 0.989,506 1.134,507 1.055,508 1.113,509 0.946,510 1.095,511 0.954,512 1.256,513 1.083,514 1.226,515 0.922,516 1.183,517 1.186,518 0.952,519 0.974,520 0.912,521 1.125,522 0.91,523 1.234,524 0.97,525 0.986,526 0.912,527 1.148,528 0.909,529 1.384,530 0.993,531 1.055,532 0.938,533 1.362,534 0.949,535 1.435,536 0.903,537 1.088,538 0.89,539 1.444,540 0.932,541 6,542 0.151,543 3.556,544 2.194,545 1.284,546 0.903,547 0.594,548 0.258,549 0.29,550 0.197,551 11068,552 28055,553 2.094,554 42.9,555 6,556 12,559 3,564 1.704,565 1.953,566 3.585,567 0.847,569 1,574 72.085,575 1.471,576 3.315,577 4.115,578 4.793,579 5.053,580 5.217,581 3.04,582 4.423,583 4.781,584 3.776,585 1427.29,586 8.274,587 19576.9,589 1,591 1,592 275.121,593 1.432,594 4.736,595 0.194,596 0.008,597 0.081,598 0.05,599 0.034,600 0.027,601 0.02,602 0.01,603 0.013,604 0.009,605 0.445,606 0.33,607 1,608 0.573,609 143.126,610 -0.068,611 0.031,612 0.027,613 0.062,614 -0.073,615 0.061,616 0.294,617 0.111,618 0.1,619 0.063,620 0.123,621 0.05,622 -0.108,623 -0.115,624 -0.151,625 -0.136,626 -0.087,627 -0.146,628 -0.049,629 -0.276,630 -0.13,631 -0.246,632 -0.02,633 -0.209,634 -0.084,635 0.014,636 0.063,637 0.057,638 -0.031,639 0.079,640 -0.106,641 0.017,642 0.037,643 0.049,644 -0.044,645 0.064,646 -0.158,647 -0.008,648 -0.036,649 0.023,650 -0.105,651 0.013,652 -0.158,653 0.108,654 -0.076,655 0.06,656 -0.164,657 0.012,658 1.952,659 5.254,660 0.75,661 27.857,662 0.998,663 1.115,664 3.436,665 11.804,666 0.689,667 3.466,668 3.807,669 4.078,670 4.331,671 4.522,672 4.554,673 4.673,674 4.754,675 4.754,676 4.852,677 7.377,678 0.658,679 371.47,680 3.466,681 5.017,682 5.872,683 6.753,684 7.622,685 8.506,686 9.38,687 10.265,688 11.143,689 12.029,690 6.1,697 3,706 10,711 8,713 18,720 1,732 49,734 20,735 3,736 31,738 52,739 23,740 18,741 8,742 10,743 1,745 4,746 5,750 1,751 2,759 20,760 3,763 2,768 2,772 2,775 1,778 21,779 5,780 3,781 5,787 3,792 0.75,793 2,808 1,809 3,812 1,835 3,839 2,843 28,851 1,853 3,867 4.1,870 2,874 14.333,875 9.417,876 6.056,877 2.847,878 3.44,879 1.45,880 1.023,881 4.887,882 11.092,883 3.761,884 4.376,885 4.936,886 5.5,887 6.031,888 6.218,889 6.593,890 6.929,891 7.168,892 7.497,893 1,894 44,895 10.341,897 4.429,898 7.774,899 19.701,901 16.257,903 2.274,904 63.667,906 1,907 1,908 211.88,909 148.126,910 54.032,912 50.29,915 148.126,916 262.17,917 54.032,918 17.65,919 56.138,920 94.762,921 54.995,922 24.627,923 4.276,924 211.88,926 211.88,927 202.158,928 50.29,931 211.88,932 50.29,935 73.788,936 128.37,939 211.88,940 104.322,941 148.126,944 211.88,945 35.713,946 112.413,947 54.032,948 50.29,949 211.88,950 104.322,951 148.126,953 0.59,954 0.347,955 0.183,956 0.096,957 22,958 10,959 0.058,960 3,961 1,962 1.095,963 4.048,964 239.583,965 0.095,966 21,967 127.851,973 18.268,974 7.49,975 3.809,977 104.322,978 19.174,983 7.557,985 54.032,986 464.328,987 42,992 24.103,996 -0.315,998 48.912,999 54.651,1000 0.262,1001 0.59,1002 0.733,1003 0.854,1004 0.9,1005 0.929,1006 5.001,1007 1.544,1008 5.866,1009 4.762,1010 4.489,1011 5.063,1012 2.15,1013 6.678,1014 4.468,1015 6.22,1016 1.414,1017 7.43,1018 3.703,1019 4.111,1020 4.89,1021 1.195,1022 7.573,1023 4.096,1024 7.533,1025 1.182,1026 9.089,1027 3.522,1028 6.089,1029 7.249,1030 2.64,1031 10.669,1032 6.048,1033 8.879,1034 1,1035 10.806,1036 3.212,1037 6.509,1038 7.849,1039 2.324,1040 12.405,1041 6.476,1042 10.254,1043 0.747,1044 12.559,1045 2.275,1046 7.969,1047 9.708,1048 3.362,1049 15.028,1050 7.918,1051 11.649,1052 0.293,1053 14.339,1054 1.771,1055 8.76,1056 10.681,1057 3.407,1058 17.132,1059 8.715,1060 13.061,1061 0.009,1062 16.139,1063 0.688,1064 10.013,1065 12.318,1066 4.212,1067 19.599,1068 9.957,1069 3.198,1070 -0.337,1071 17.956,1072 0.021,1073 10.981,1074 13.489,1075 4.464,1076 21.87,1077 10.93,1078 2.85,1079 11.163,1080 19.785,1081 -0.858,1082 12.152,1083 15.017,1084 5.137,1085 24.289,1086 12.096,1087 2.717,1088 8.586,1089 21.626,1090 4.224,1091 13.205,1092 16.296,1093 5.504,1094 26.634,1095 13.152,1096 2.521,1097 8.382,1098 23.475,1099 3.875,1100 14.347,1101 17.769,1102 6.102,1103 29.041,1104 14.292,1105 2.252,1106 7.447,1107 25.333,1108 3.634,1109 15.443,1110 19.11,1111 6.531,1112 31.421,1113 15.39,1114 1.873,1115 6.615,1116 27.198,1117 3.144,1118 16.579,1119 20.556,1120 7.088,1121 33.827,1122 16.525,1123 1.666,1124 5.403,1125 29.069,1126 2.919,1127 17.697,1128 21.932,1129 7.551,1130 36.223,1131 17.645,1132 10424,1133 16739,1134 20.69,1135 33.779,1136 46.916,1137 48.64,1138 48.447,1139 46.466,1140 46.531,1141 62.068,1142 6.914,1143 135.098,1144 46.084,1145 5.413,1146 5.65,1147 6.303,1148 5.24,1149 5.198,1150 7.224,1151 2.912,1152 18.516,1153 5.194,1154 14.139,1155 1.513,1156 1.569,1157 1.563,1158 1.499,1159 1.501,1160 2.002,1161 0.223,1162 4.358,1163 1.487,1164 4.066,1165 4.09,1166 4.022,1167 4.007,1168 7.432,1169 4.007,1170 3.951,1171 3.982,1172 3.892,1173 3.886,1174 7.428,1175 3.883,1176 3.83,1177 3.863,1178 3.772,1179 3.743,1180 4.827,1181 3.745,1182 3.465,1183 3.514,1184 3.408,1185 3.222,1186 4.74,1187 3.257,1188 3.366,1189 3.424,1190 3.272,1191 3.172,1192 4.597,1193 3.189,1194 3.154,1195 3.245,1196 3,1197 3,1198 4.071,1199 2.988,1200 3.133,1201 3.206,1202 2.925,1203 2.974,1204 4.051,1205 2.956,1206 2.98,1207 3.015,1208 2.869,1209 2.812,1210 3.876,1211 2.825,1212 0.147,1213 0.118,1214 0.219,1215 0.135,1216 0.103,1217 4.543,1218 0.136,1219 3.65,1220 0.053,1221 6.792,1222 0.36,1223 4.198,1224 0.103,1225 3.198,1226 4.224,1227 1.656,1228 11.163,1229 3.194,1230 1.994,1231 1.976,1232 2.078,1233 2.062,1234 1.243,1235 2.068,1236 1.938,1237 1.911,1238 2.057,1239 2.023,1240 1.192,1241 2.036,1242 1.769,1243 1.743,1244 1.881,1245 1.868,1246 0.995,1247 1.872,1248 1.369,1249 1.314,1250 1.575,1251 1.659,1252 0.715,1253 1.631,1254 1.329,1255 1.268,1256 1.567,1257 1.606,1258 0.63,1259 1.585,1260 1.191,1261 1.105,1262 1.557,1263 1.42,1264 0.611,1265 1.476,1266 1.105,1267 1.042,1268 1.32,1269 1.344,1270 0.335,1271 1.359,1272 1.028,1273 0.995,1274 1.194,1275 1.213,1276 0.218,1277 1.212,1278 4.143,1280 5.476,1281 2.398,1282 6.999,1283 4.727,1284 8.606,1285 6.823,1286 10.257,1288 4.051,1294 0.544,1296 8.553,1305 32.235,1306 72.085,1307 162.418,1308 201.637,1309 234.856,1310 247.611,1311 255.611,1312 44.343,1313 7.652,1314 70.23,1315 70.23,1316 23,1317 12.563,1318 4.392,1319 3.585,1320 42.813,1321 127,1322 114,1323 0.165,1324 197.995,1325 345.86,1326 474.867,1327 23921,1329 19.673,1330 0.703,1331 0.564,1332 19.673,1333 15.797,1334 13.508,1335 0.436,1336 0.296,1337 9.087,1338 13.177,1339 8.786,1340 7.335,1341 13.508,1342 9.169,1343 12.468,1344 0.283,1345 0.158,1346 12.468,1347 6.97,1348 10.536,1349 0.182,1350 0.087,1351 10.536,1352 5.065,1353 8.684,1354 0.116,1355 0.045,1356 8.684,1357 3.37,1358 6.863,1359 0.075,1360 0.024,1361 6.863,1362 2.206,1363 0.267,1364 83.474,1365 0.22,1366 27.2,1367 0.432,1368 150,1369 406.47,1370 160.423,1371 402.816,1372 554.26,1373 376,1374 177,1375 410.47,1376 186.15,1377 421.867,1378 614.15,1379 397,1380 5.1}
{0 CHEMBL185569,1 1.489,2 11.852,3 3.489,4 12.174,5 104.701,6 7.77,7 0.6,8 3.931,9 4.046,10 3.535,11 3.54,12 5.086,13 3.52,14 4.42,15 4.565,16 3.899,17 3.933,18 5.6,19 3.888,20 4.66,21 4.839,22 3.909,23 4.041,24 5.768,25 3.972,26 4.7,27 4.909,28 3.84,29 3.974,30 5.817,31 3.893,32 4.655,33 4.874,34 3.718,35 3.869,36 5.795,37 3.788,38 4.55,39 4.79,40 3.578,41 3.733,42 5.643,43 3.642,44 4.355,45 4.578,46 3.386,47 3.565,48 5.47,49 3.48,50 4.187,51 4.409,52 3.323,53 3.457,54 5.257,55 3.375,56 0.03,57 0.648,58 8.382,59 3.91,60 6.81,61 4.902,62 0.216,63 1.036,64 14.952,65 6.729,66 21.658,67 8.803,68 0.145,69 1.266,70 20.753,71 8.694,72 31.872,73 11.177,74 0.158,75 1.294,76 23.153,77 9.206,78 39.192,79 12.145,80 0.249,81 1.231,82 22.973,83 8.377,84 48.572,85 10.853,86 0.206,87 1.087,88 21.535,89 7.959,90 43.694,91 10.642,92 0.228,93 0.9,94 17.357,95 6.209,96 43.273,97 7.977,98 0.139,99 0.775,100 14.209,101 5.514,102 24.314,103 7.353,104 10,105 42,106 0.252,107 0.548,108 0.694,109 0.827,110 0.873,111 0.881,112 3.339,113 0.875,114 -4.45,115 -4.38,116 -4.13,119 47.8,120 1,125 1,142 11,143 5,144 2,158 1,159 1,172 16,175 1,178 3,179 1,180 6,183 20,188 2,193 6,196 16,200 6,205 10,208 10,213 6,218 7,221 6,225 5,230 7,233 6,238 3,243 3,246 8,250 2,254 1,255 3,258 10,263 2,266 1,268 2,271 8,275 1037,276 18.309,277 18.309,278 18.309,279 18.309,280 18.309,281 15.874,282 21.893,283 10.777,284 18.437,285 14.825,286 14.825,287 14.825,288 14.825,289 14.825,290 11.09,291 32.092,292 5.132,293 15.002,294 4.034,295 2.288,296 1.425,297 0.642,298 0.364,299 0.321,300 4.038,303 1,304 1,305 1,306 703,307 3,310 62.779,311 262.827,314 117.778,318 1.953,319 22.026,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 57.5,331 320,332 4.543,333 3.65,334 6.792,335 4.198,336 3.198,337 4.224,338 1.656,339 11.163,340 3.194,341 4.105,342 3.563,343 6.045,344 3.737,345 2.757,346 3.67,347 1.081,348 8.585,349 2.707,350 4.047,351 3.027,352 5.623,353 3.661,354 2.67,355 3.625,356 0.473,357 7.798,358 2.638,359 3.791,360 2.741,361 5.414,362 3.444,363 2.46,364 3.129,365 0.247,366 7.161,367 2.412,368 3.51,369 2.563,370 5.013,371 3.12,372 2.128,373 2.777,375 5.789,376 2.102,377 3.214,378 2.199,379 4.864,380 2.811,381 1.813,382 2.441,384 5.281,385 1.803,386 3.098,387 2.132,388 4.499,389 2.658,390 1.649,391 2.274,393 4.574,394 1.654,395 2.919,396 1.729,397 4.16,398 2.532,399 1.543,400 2.074,402 3.703,403 1.525,404 2.661,405 1.383,406 4.028,407 2.188,408 1.192,409 1.73,411 3.211,412 1.185,413 2.641,414 1.24,415 3.479,416 2.168,417 1.171,418 1.651,420 2.587,421 1.164,422 2.5,423 1.09,424 3.414,425 2,426 1,427 1.5,429 2.275,430 1,431 1.961,432 1,433 3.31,434 1.723,435 0.746,436 0.873,438 1.769,439 0.726,440 1.349,441 0.663,442 2.947,443 1.042,444 0.086,445 0.103,447 0.23,448 0.082,449 1.184,450 0.417,451 2.553,452 0.782,453 -0.218,454 -0.285,456 -0.533,457 -0.216,458 0.972,459 0.235,460 2.314,461 0.573,462 -0.426,463 -0.528,465 -0.996,466 -0.425,467 12.867,468 0.477,469 0.661,470 0.024,471 39,472 1.444,473 22,474 0.815,475 17,476 0.63,477 17.913,478 0.663,479 27.333,480 0.594,481 28.605,482 1.059,483 7.926,484 0.294,485 5.172,486 0.192,487 0.091,489 0.35,493 0.73,494 1.062,495 0.757,496 0.878,497 0.563,498 0.819,499 0.431,500 0.988,501 0.803,502 0.96,503 0.483,504 0.94,505 0.991,506 1.119,507 1.051,508 1.101,509 0.955,510 1.085,511 0.986,512 1.172,513 0.993,514 1.113,515 0.932,516 1.065,517 1.338,518 1.025,519 1.121,520 1.01,521 1.263,522 1.023,523 1.12,524 0.98,525 0.942,526 0.935,527 1.089,528 0.916,529 1.471,530 0.927,531 1.145,532 0.906,533 1.453,534 0.964,535 0.924,536 0.962,537 0.924,538 0.959,539 0.918,540 0.945,541 5.5,542 0.143,543 2.889,544 2.132,545 1.093,546 0.847,547 0.512,548 0.233,549 0.24,550 0.157,551 10045,552 26382,553 2.12,554 41.3,555 3,556 13,559 3,564 1.694,565 2,566 3.515,567 0.872,569 1,574 68.511,575 1.489,576 3.236,577 4.098,578 4.882,579 5.159,580 5.203,581 2.94,582 4.533,583 4.728,584 3.719,585 1305.2,586 8.171,587 17363.5,589 1,591 1,592 254.084,593 1.352,594 4.694,595 0.183,596 0.008,597 0.069,598 0.052,599 0.03,600 0.026,601 0.018,602 0.01,603 0.011,604 0.008,605 0.415,606 0.33,607 1,608 0.528,609 136.085,610 -0.075,611 0.036,612 0.024,613 0.067,614 -0.072,615 0.065,616 0.283,617 0.068,618 0.036,620 0.109,621 -0.021,622 -0.107,623 -0.115,624 -0.141,625 -0.131,626 -0.095,627 -0.138,628 -0.044,629 -0.198,630 -0.023,631 -0.136,632 0.004,633 -0.088,634 -0.17,635 -0.028,636 -0.112,637 -0.052,638 -0.098,639 -0.066,640 -0.061,641 -0.026,642 0.094,643 0.049,644 -0.011,645 0.087,646 -0.232,647 0.061,648 -0.121,649 0.056,650 -0.183,651 -0.002,652 0.007,653 0.018,654 0.066,655 0.019,656 -0.023,657 0.043,658 1.955,659 5.17,660 0.778,661 26.052,662 1.001,663 1.114,664 3.221,665 10.374,666 0.696,667 3.434,668 3.761,669 4.025,670 4.304,671 4.477,672 4.511,673 4.625,674 4.736,675 4.718,676 4.82,677 7.123,678 0.668,679 357.44,680 3.434,681 4.977,682 5.826,683 6.706,684 7.569,685 8.453,686 9.322,687 10.208,688 11.083,689 11.97,690 6.5,697 3,706 11,711 7,713 18,720 1,732 46,734 20,735 3,736 30,738 49,739 22,740 18,741 7,742 11,743 1,745 4,746 5,750 1,751 1,759 20,760 2,763 2,768 2,772 2,774 1,775 1,778 19,779 5,780 3,781 5,787 3,792 0.75,793 2,808 1,809 3,812 1,835 3,839 1,843 27,851 1,853 3,867 4.3,870 2,874 13.5,875 8.5,876 5.861,877 2.646,878 3.417,879 1.452,880 1.03,881 4.654,882 10.984,883 3.738,884 4.337,885 4.892,886 5.472,887 5.989,888 6.173,889 6.555,890 6.922,891 7.152,892 7.48,893 0.875,894 41,895 9.964,897 4.279,898 7.796,899 18.926,901 15.609,903 2.296,904 62,907 1,908 188.338,909 145.591,910 54.032,912 50.29,915 145.591,916 238.627,917 54.032,918 8.825,919 56.138,920 104.239,921 54.995,922 21.441,923 4.276,924 188.338,926 188.338,927 199.624,928 50.29,931 188.338,932 50.29,935 64.963,936 134.661,939 188.338,940 104.322,941 145.591,944 188.338,945 32.528,946 113.064,947 54.032,948 50.29,949 188.338,950 104.322,951 145.591,953 0.583,954 0.337,955 0.187,956 0.097,957 21,958 9,959 0.061,960 3,961 1,962 1.095,963 3.994,964 227.76,965 0.095,966 21,967 122.382,973 17.317,974 7.256,975 3.712,977 104.322,978 20.974,983 6.314,985 54.032,986 438.251,987 41,992 24,996 -0.318,998 46.029,999 51.235,1000 0.27,1001 0.586,1002 0.742,1003 0.884,1004 0.934,1005 0.942,1006 4.966,1007 1.543,1008 5.808,1009 4.574,1010 4.443,1011 5.024,1012 2.15,1013 6.608,1014 4.421,1015 6.175,1016 1.192,1017 7.357,1018 3.703,1019 4.007,1020 4.783,1021 1.195,1022 7.476,1023 3.991,1024 7.479,1025 1.171,1026 9.004,1027 3.211,1028 6.023,1029 7.19,1030 2.64,1031 10.584,1032 5.98,1033 8.816,1034 1,1035 10.71,1036 2.587,1037 6.399,1038 7.73,1039 2.324,1040 12.323,1041 6.362,1042 10.182,1043 0.746,1044 12.456,1045 2.275,1046 7.886,1047 9.626,1048 3.362,1049 14.952,1050 7.83,1051 11.569,1052 0.086,1053 14.231,1054 1.769,1055 8.65,1056 10.556,1057 3.407,1058 17.071,1059 8.601,1060 12.975,1061 -0.218,1062 16.029,1063 0.23,1064 9.918,1065 12.218,1066 4.212,1067 19.545,1068 9.857,1069 3.198,1070 -0.426,1071 17.846,1072 -0.533,1073 10.875,1074 13.361,1075 4.464,1076 21.828,1077 10.82,1078 2.757,1079 11.163,1080 19.677,1081 -0.996,1082 12.055,1083 14.903,1084 5.137,1085 24.253,1086 11.994,1087 2.67,1088 8.585,1089 21.521,1090 4.224,1091 13.106,1092 16.167,1093 5.504,1094 26.607,1095 13.048,1096 2.46,1097 7.798,1098 23.376,1099 3.67,1100 14.254,1101 17.649,1102 6.102,1103 29.019,1104 14.195,1105 2.128,1106 7.161,1107 25.239,1108 3.625,1109 15.352,1110 18.982,1111 6.531,1112 31.404,1113 15.296,1114 1.813,1115 5.789,1116 27.11,1117 3.129,1118 16.493,1119 20.435,1120 7.088,1121 33.814,1122 16.437,1123 1.649,1124 5.281,1125 28.988,1126 2.777,1127 17.616,1128 21.809,1129 7.551,1130 36.213,1131 17.562,1132 9419,1133 15388,1134 20.285,1135 32.017,1136 45.177,1137 46.801,1138 46.373,1139 44.738,1140 44.826,1141 60.143,1142 6.914,1143 128.249,1144 44.381,1145 5.412,1146 5.65,1147 6.348,1148 5.238,1149 5.198,1150 7.224,1151 2.912,1152 18.516,1153 5.194,1154 11.867,1155 1.506,1156 1.56,1157 1.546,1158 1.491,1159 1.494,1160 2.005,1161 0.23,1162 4.275,1163 1.479,1164 4.065,1165 4.089,1166 4.021,1167 4.006,1168 7.432,1169 4.006,1170 3.929,1171 3.963,1172 3.868,1173 3.856,1174 7.428,1175 3.853,1176 3.827,1177 3.86,1178 3.769,1179 3.742,1180 4.827,1181 3.744,1182 3.449,1183 3.496,1184 3.393,1185 3.21,1186 4.75,1187 3.242,1188 3.36,1189 3.417,1190 3.268,1191 3.149,1192 4.597,1193 3.174,1194 3.153,1195 3.233,1196 2.976,1197 2.999,1198 4.056,1199 2.985,1200 3.007,1201 3.05,1202 2.9,1203 2.877,1204 4.032,1205 2.879,1206 2.854,1207 2.925,1208 2.72,1209 2.735,1210 3.875,1211 2.715,1212 0.151,1213 0.122,1214 0.226,1215 0.14,1216 0.107,1217 4.543,1218 0.141,1219 3.65,1220 0.055,1221 6.792,1222 0.372,1223 4.198,1224 0.106,1225 3.198,1226 4.224,1227 1.656,1228 11.163,1229 3.194,1230 1.994,1231 1.976,1232 2.078,1233 2.061,1234 1.243,1235 2.066,1236 1.914,1237 1.884,1238 2.036,1239 2.007,1240 1.131,1241 2.018,1242 1.768,1243 1.742,1244 1.881,1245 1.865,1246 0.995,1247 1.871,1248 1.365,1249 1.309,1250 1.575,1251 1.658,1252 0.715,1253 1.63,1254 1.298,1255 1.239,1256 1.559,1257 1.585,1258 0.615,1259 1.56,1260 1.157,1261 1.087,1262 1.373,1263 1.387,1264 0.356,1265 1.417,1266 1.032,1267 0.999,1268 1.197,1269 1.214,1270 0.255,1271 1.213,1272 0.908,1273 0.854,1274 1.181,1275 1.102,1276 0.218,1277 1.115,1278 4.111,1280 5.434,1281 2.398,1282 6.946,1283 4.727,1284 8.545,1285 6.823,1286 10.19,1288 1.977,1294 0.545,1296 8.507,1305 30.708,1306 68.511,1307 148.857,1308 188.52,1309 224.574,1310 237.329,1311 239.329,1312 41.171,1313 7.567,1314 70.23,1315 70.23,1316 23,1317 12.504,1318 4.392,1319 3.585,1320 40.545,1321 119,1322 99,1323 0.169,1324 188.402,1325 328.56,1326 451.462,1327 21456,1329 18.803,1330 0.696,1331 0.551,1332 18.803,1333 14.874,1334 13.097,1335 0.437,1336 0.292,1337 8.671,1338 12.766,1339 8.439,1340 7.028,1341 13.097,1342 8.752,1343 11.972,1344 0.285,1345 0.156,1346 11.972,1347 6.54,1348 9.874,1349 0.18,1350 0.083,1351 9.874,1352 4.576,1353 8.584,1354 0.118,1355 0.045,1356 8.584,1357 3.274,1358 6.607,1359 0.076,1360 0.024,1361 6.607,1362 2.079,1363 0.271,1364 81.009,1365 0.222,1366 26.358,1367 0.443,1368 144,1369 398.47,1370 154.423,1371 394.284,1372 541.27,1373 368,1374 169,1375 399.47,1376 178.15,1377 409.678,1378 596.45,1379 386,1380 5.1}
{0 CHEMBL1890036,1 1.784,2 9.821,3 2.193,4 4.807,5 102.512,6 9.009,7 0.677,8 3.912,9 4.026,10 3.631,11 3.367,12 5.248,13 3.418,14 4.332,15 4.47,16 3.964,17 3.703,18 5.617,19 3.748,20 4.46,21 4.63,22 3.96,23 3.707,24 5.796,25 3.736,26 4.526,27 4.7,28 4.029,29 3.735,30 5.865,31 3.787,32 4.563,33 4.748,34 4.027,35 3.765,36 5.88,37 3.809,38 4.553,39 4.728,40 3.975,41 3.704,42 5.972,43 3.756,44 4.515,45 4.692,46 3.915,47 3.597,48 6.006,49 3.656,50 4.401,51 4.612,52 3.593,53 3.486,54 5.642,55 3.487,56 0.274,57 0.715,58 5.872,59 3.014,60 14.125,61 3.225,62 0.389,63 1.042,64 10.406,65 4.828,66 22.309,67 5.523,68 0.629,69 1.095,70 13.967,71 5.136,72 46.449,73 6.26,74 0.723,75 1.169,76 15.249,77 4.813,78 40.821,79 5.541,80 0.594,81 1.199,82 16.028,83 5.299,84 36.983,85 6.426,86 0.728,87 1.113,88 16.6,89 5.153,90 65.055,91 5.839,92 0.829,93 1.032,94 16.031,95 4.526,96 72.67,97 5.026,98 0.745,99 0.894,100 16.308,101 4.322,102 62.506,103 4.967,104 10,105 43,106 0.305,107 0.69,108 0.779,109 0.851,110 0.862,111 0.862,112 3.375,113 0.787,114 -3.98,115 -3.93,116 -3.73,119 40.5,120 1,142 7,143 1,146 1,147 2,151 1,152 2,157 1,158 1,163 1,164 1,165 1,166 4,168 1,172 7,174 3,175 4,177 1,178 2,183 6,187 6,188 6,190 3,191 4,193 1,196 4,199 6,200 9,202 1,203 4,205 2,208 1,212 4,213 13,215 1,216 1,218 4,223 1,224 2,225 14,228 1,230 4,235 2,237 4,238 12,240 1,241 3,242 1,243 3,245 1,246 1,248 2,249 4,250 7,252 1,253 1,255 1,258 3,260 1,263 5,271 5,275 1330,276 19.173,277 19.173,278 19.173,279 19.173,280 19.173,281 16.265,282 14.206,283 11.406,284 19.415,285 15.287,286 15.287,287 15.287,288 15.287,289 15.287,290 11.066,291 13.098,292 5.373,293 15.658,294 3.608,295 1.361,296 0.837,297 0.417,298 0.351,299 0.351,300 4.067,303 1,304 1,305 1,306 600,307 3.391,310 251.488,311 85.894,318 1.503,319 29.288,321 1,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 0.5,329 0.55,330 63,331 275,332 4.652,333 3.618,334 7.009,335 4.26,336 3.297,337 4.386,338 0.98,339 11.974,340 3.178,341 4.196,342 3.228,343 6.284,344 3.798,345 2.822,346 3.778,347 0.782,348 9.301,349 2.764,350 4.155,351 3.057,352 6.023,353 3.745,354 2.774,355 3.73,357 8.555,358 2.671,359 3.82,360 2.737,361 5.689,362 3.436,363 2.435,364 3.305,366 7.422,367 2.43,368 3.483,369 2.18,370 5.1,371 3.023,372 2.048,373 2.812,375 5.76,376 1.99,377 3.283,378 2.041,379 4.451,380 2.756,381 1.779,382 2.537,384 4.381,385 1.736,386 2.929,387 1.702,388 4.245,389 2.49,390 1.501,391 2.105,393 3.698,394 1.483,395 2.737,396 1.451,397 3.859,398 2.283,399 1.319,400 1.784,402 3.134,403 1.265,404 2.561,405 1.202,406 3.736,407 2.103,408 1.133,409 1.585,411 2.582,412 1.096,413 2.5,414 1.11,415 3.437,416 2,417 1,418 1.5,420 2.147,421 1,422 2.385,423 1,424 3.396,425 1.9,426 0.911,427 1.296,429 2.136,430 0.898,431 2.284,432 0.858,433 3.256,434 1.774,435 0.781,436 1.162,438 2.015,439 0.773,440 2.185,441 0.759,442 3.247,443 1.645,444 0.688,445 1.011,447 1.809,448 0.656,449 2.118,450 0.723,451 3,452 1.618,453 0.618,454 0.927,456 1.372,457 0.618,458 1.459,459 0.618,460 2.757,461 1.236,462 0.207,463 0.244,465 0.453,466 0.211,467 12.7,468 0.454,469 0.61,470 0.022,471 40.25,472 1.438,473 21.5,474 0.768,475 18.75,476 0.67,477 18.829,478 0.672,479 29.3,480 0.698,481 31.753,482 1.134,483 8.547,484 0.305,485 5.101,486 0.182,487 0.097,489 0.346,493 0.663,494 1.01,495 0.629,496 0.93,497 0.688,498 0.801,499 0.754,500 1.251,501 0.65,502 1.125,503 0.642,504 0.921,505 0.732,506 1.038,507 0.842,508 1.001,509 0.834,510 0.974,511 1.024,512 0.983,513 0.936,514 0.845,515 0.908,516 0.858,517 0.985,518 1.178,519 0.883,520 1.05,521 1.021,522 0.943,523 1.287,524 1.205,525 1.017,526 1.029,527 1.814,528 0.953,529 1.296,530 1.025,531 1.141,532 0.969,533 1.635,534 0.993,535 1.398,536 0.709,537 1.346,538 0.73,539 1.579,540 0.953,541 4,542 0.103,543 3.556,544 1.743,545 1.546,546 0.945,547 0.557,548 0.416,549 0.255,550 0.175,551 9566,552 31760,553 2.115,554 33.3,556 7,557 1,559 3,560 3,564 1.716,565 2,566 3.266,567 1.059,568 1,569 1,574 74.933,575 1.784,576 4.031,577 4.555,578 4.975,579 5.041,580 5.041,581 2.66,582 4.522,583 4.777,584 3.472,585 1312.59,586 8.337,587 17216.3,588 1,589 1,591 1,592 226.477,593 1.333,594 4.748,595 0.129,596 0.005,597 0.083,598 0.043,599 0.035,600 0.021,601 0.014,602 0.011,603 0.009,604 0.007,605 0.357,606 0.33,607 1,608 0.517,609 139.23,610 0.132,611 0.173,612 0.053,613 0.052,614 -0.062,615 0.029,616 0.059,617 -0.15,618 0.129,619 -0.124,620 0.035,621 -0.018,622 0.191,623 0.009,624 0.048,625 -0.045,626 0.119,627 -0.058,628 -0.003,629 0.08,630 -0.038,631 0.054,632 0.021,633 0.001,634 -0.08,635 -0.142,636 0.036,637 -0.117,638 -0.006,639 -0.022,640 -0.168,641 -0.22,642 -0.058,643 -0.089,644 -0.122,645 -0.04,646 -0.057,647 -0.032,648 -0.163,649 -0.082,650 0.008,651 -0.132,652 -0.261,653 0.24,654 -0.299,655 0.189,656 -0.342,657 -0.007,658 2.231,659 5.725,660 0.75,661 26,662 1.034,663 1.14,664 2.749,665 7.556,666 0.683,667 3.466,668 3.784,669 4.094,670 4.369,671 4.477,672 4.595,673 4.7,674 4.787,675 4.828,676 4.796,677 6.22,678 0.688,679 378.39,680 3.466,681 5.004,682 5.866,683 6.749,684 7.632,685 8.524,686 9.416,687 10.314,688 11.212,689 12.114,690 19,694 1,697 1,698 1,699 1,700 4,706 8,707 4,709 2,711 6,712 1,713 21,724 1,732 42,734 23,735 1,736 31,738 45,739 17,740 14,741 1,742 5,743 2,745 4,746 4,748 1,751 1,759 16,760 1,763 2,768 1,771 1,772 2,774 1,775 1,777 1,778 14,779 10,780 3,781 11,787 8,792 1,793 3,808 3,809 1,835 4,839 1,843 28,844 1,853 1,864 1,867 7.1,870 1,872 2,874 14,875 7.95,876 6.194,877 2.261,878 3.309,879 1.455,880 0.996,881 4.91,882 10.576,883 3.795,884 4.41,885 5.03,886 5.632,887 5.97,888 6.355,889 6.747,890 7.132,891 7.456,892 7.667,893 1,894 41,895 10.221,897 4.36,898 7.958,899 18.734,901 14.761,903 2.458,904 68.833,908 129.482,909 113.164,910 141.622,912 44.613,915 113.164,916 174.095,917 141.622,918 8.825,919 17.888,920 110.97,921 105.003,922 43.85,923 24.633,924 117.711,926 129.482,927 254.785,928 44.613,931 129.482,932 44.613,935 47.91,936 134.479,937 72.397,939 129.482,940 186.235,941 113.164,944 129.482,945 26.265,946 88.675,947 17.888,948 166.57,949 129.482,950 186.235,951 113.164,953 0.578,954 0.349,955 0.193,956 0.094,957 21,958 9,959 0.111,960 5,962 1,963 3.954,964 247.902,966 21,967 130.606,973 17.947,974 7.661,975 3.554,977 184.458,978 14.06,979 15.234,981 9.873,983 1.748,984 1.291,985 50.785,986 428.881,987 43.5,992 12.725,995 4.042,996 -0.067,998 43.447,999 47.86,1000 0.331,1001 0.748,1002 0.845,1003 0.923,1004 0.935,1005 0.935,1006 5.012,1007 1.319,1008 5.844,1009 3.698,1010 4.466,1011 5.097,1012 1.422,1013 6.676,1014 4.417,1015 6.228,1016 1.133,1017 7.414,1018 3.134,1019 4.007,1020 4.783,1022 7.656,1023 3.917,1024 7.536,1025 1,1026 9.093,1027 2.582,1028 6.066,1029 7.297,1030 1.279,1031 10.808,1032 5.958,1033 8.888,1034 0.911,1035 10.841,1036 2.147,1037 6.524,1038 7.92,1040 12.687,1041 6.369,1042 10.275,1043 0.781,1044 12.632,1045 2.136,1046 7.995,1047 9.792,1048 1.172,1049 15.354,1050 7.819,1051 11.688,1052 0.688,1053 14.454,1054 2.015,1055 8.846,1056 10.841,1058 17.579,1059 8.623,1060 13.121,1061 0.618,1062 16.297,1063 1.809,1064 10.109,1065 12.458,1066 1.092,1067 20.105,1068 9.858,1069 3.297,1070 0.207,1071 18.157,1072 1.372,1073 11.133,1074 13.714,1076 22.474,1077 10.837,1078 2.822,1079 11.974,1080 20.028,1081 0.453,1082 12.323,1083 15.227,1084 1.03,1085 24.959,1086 11.995,1087 2.774,1088 9.301,1089 21.91,1090 4.386,1091 13.425,1092 16.584,1094 27.389,1095 13.054,1096 2.435,1097 8.555,1098 23.8,1099 3.778,1100 14.595,1101 18.058,1102 0.982,1103 29.865,1104 14.188,1105 2.048,1106 7.422,1107 25.697,1108 3.73,1109 15.735,1110 19.465,1112 32.323,1113 15.286,1114 1.779,1115 5.76,1116 27.6,1117 3.305,1118 16.902,1119 20.927,1120 0.943,1121 34.799,1122 16.417,1123 1.501,1124 4.381,1125 29.508,1126 2.812,1127 18.061,1128 22.361,1130 37.269,1131 17.535,1132 9074,1133 16761,1134 20.978,1135 28.693,1136 47.399,1137 47.557,1138 47.782,1139 46.712,1140 46.628,1141 64.326,1142 3.524,1143 133.475,1144 45.541,1145 5.454,1146 5.618,1147 6.811,1148 5.322,1149 5.297,1150 7.386,1151 1.96,1152 19.472,1153 5.178,1154 11.515,1155 1.529,1156 1.534,1157 1.541,1158 1.507,1159 1.504,1160 2.075,1161 0.114,1162 4.306,1163 1.469,1164 4.058,1165 4.104,1166 4.042,1167 3.916,1168 7.43,1169 3.931,1170 3.912,1171 3.927,1172 3.865,1173 3.756,1174 5.444,1175 3.777,1176 3.808,1177 3.847,1178 3.762,1179 3.611,1180 5.105,1181 3.65,1182 3.641,1183 3.685,1184 3.612,1185 3.373,1186 5.024,1187 3.43,1188 3.417,1189 3.493,1190 3.339,1191 3.199,1192 4.848,1193 3.211,1194 3.138,1195 3.206,1196 3.044,1197 2.832,1198 4.705,1199 2.878,1200 2.854,1201 2.94,1202 2.687,1203 2.735,1204 4.574,1205 2.715,1206 2.807,1207 2.925,1208 2.672,1209 2.584,1210 3.736,1211 2.609,1212 0.15,1213 0.117,1214 0.226,1215 0.137,1216 0.106,1217 4.652,1218 0.141,1219 3.618,1220 0.032,1221 7.009,1222 0.386,1223 4.26,1224 0.103,1225 3.297,1226 4.386,1227 0.98,1228 11.974,1229 3.178,1230 1.919,1231 1.893,1232 2.025,1233 2.006,1234 1.118,1235 2.011,1236 1.642,1237 1.603,1238 1.795,1239 1.851,1240 0.864,1241 1.825,1242 1.525,1243 1.484,1244 1.615,1245 1.755,1246 0.683,1247 1.709,1248 1.421,1249 1.378,1250 1.586,1251 1.625,1252 0.629,1253 1.602,1254 1.363,1255 1.328,1256 1.455,1257 1.586,1258 0.38,1259 1.57,1260 1.051,1261 0.991,1262 1.28,1263 1.526,1264 0.244,1265 1.415,1266 1.021,1267 0.958,1268 1.199,1269 1.324,1270 0.218,1271 1.319,1272 0.886,1273 0.821,1274 1.181,1275 1.228,1276 0.125,1277 1.146,1278 4.143,1280 5.46,1281 3.434,1282 6.959,1283 5.687,1284 8.546,1285 7.695,1286 10.185,1288 1.704,1292 5.769,1296 2.453,1305 28.896,1306 74.933,1307 169.316,1308 191.316,1309 208.968,1310 211.722,1311 211.722,1312 45.752,1313 7.267,1314 150.25,1315 150.25,1316 21,1317 12.636,1318 4.585,1319 3.755,1320 42.192,1321 100,1322 107,1323 0.199,1324 178.408,1325 294.95,1326 427.076,1327 12737,1329 19.51,1330 0.697,1331 0.522,1332 19.51,1333 14.604,1334 13.648,1335 0.44,1336 0.262,1337 7.945,1338 12.81,1339 7.816,1340 6.522,1341 13.648,1342 8.129,1343 12.029,1344 0.28,1345 0.131,1346 12.029,1347 5.653,1348 10.507,1349 0.178,1350 0.065,1351 10.507,1352 3.832,1353 8.781,1354 0.113,1355 0.032,1356 8.781,1357 2.503,1358 6.221,1359 0.072,1360 0.016,1361 6.221,1362 1.433,1363 0.307,1364 87.924,1365 0.218,1366 26.515,1367 0.563,1368 148,1369 544.722,1370 170.957,1371 520.489,1372 716.27,1373 484,1374 176,1375 562.585,1376 202.37,1377 553.22,1378 798.56,1379 518,1380 5.1}
{0 CHEMBL1929238,1 1.747,2 13.083,3 4.215,4 17.768,5 145.678,6 8.038,7 0.289,8 4.306,9 4.432,10 3.955,11 3.84,12 5.368,13 3.787,14 4.878,15 5.079,16 4.388,17 4.26,18 5.91,19 4.181,20 5.157,21 5.342,22 4.612,23 4.5,24 6.242,25 4.383,26 5.366,27 5.607,28 4.497,29 4.495,30 6.402,31 4.349,32 5.216,33 5.454,34 4.408,35 4.347,36 6.321,37 4.252,38 5.117,39 5.31,40 4.47,41 4.368,42 6.411,43 4.278,44 5.258,45 5.476,46 4.478,47 4.446,48 6.359,49 4.327,50 5.245,51 5.465,52 4.45,53 4.444,54 6.325,55 4.315,56 0.059,57 1.013,58 14.18,59 6.381,60 9.28,61 8.399,62 0.519,63 1.615,64 31.551,65 10.671,66 36.135,67 14.564,68 0.545,69 2.022,70 48.31,71 15.67,72 57.618,73 19.791,74 0.93,75 2.186,76 70.352,77 19.818,78 109.104,79 25.137,80 0.875,81 1.915,82 51.753,83 14.837,84 102.195,85 19.716,86 0.895,87 1.922,88 44.427,89 13.781,90 125.689,91 17.56,92 0.875,93 2.059,94 57.972,95 16.549,96 116.708,97 20.308,98 0.856,99 1.988,100 52.55,101 16.046,102 108.245,103 20.557,104 107,105 55,106 0.277,107 0.56,108 0.732,109 0.802,110 0.823,111 0.823,112 3.616,113 1.051,114 -4.11,115 -4.05,116 -3.84,119 36.2,120 3,121 1,123 1,124 2,125 5,142 4,143 1,144 3,152 1,153 1,158 2,159 1,172 6,174 2,175 5,178 2,179 1,180 3,183 9,187 2,188 2,193 3,196 11,199 1,200 6,203 2,205 6,208 6,212 2,213 7,218 6,221 1,224 4,225 11,228 2,230 4,233 3,238 5,241 1,243 3,246 6,249 1,250 6,253 1,255 1,258 10,262 1,263 9,266 1,271 7,275 2752,276 22.902,277 22.902,278 22.902,279 22.902,280 22.902,281 21.138,282 34.116,283 13.125,284 23.659,285 18.675,286 18.675,287 18.675,288 18.675,289 18.675,290 15.816,291 44.007,292 6.217,293 20.017,294 4.361,295 2.572,296 1.489,297 1.048,298 0.91,299 0.91,300 4.287,301 2,305 1,306 971,307 4.848,310 114.604,311 134.951,312 142.79,318 1.991,319 45.523,322 0.75,323 0.83,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.88,330 78.167,331 471,332 4.583,333 3.767,334 7.14,335 4.336,336 3.37,337 4.174,338 1.94,339 11.845,340 3.263,341 4.328,342 3.696,343 6.599,344 4.004,345 3.031,346 3.985,347 1.656,348 10.374,349 2.945,350 4.198,351 3.577,352 6.347,353 3.868,354 2.961,355 3.386,356 1.2,357 9.465,358 2.677,359 3.958,360 3.522,361 6.031,362 3.748,363 2.79,364 3.117,365 0.8,366 8.593,367 2.645,368 3.728,369 3.357,370 5.749,371 3.416,372 2.488,373 2.926,374 0.555,375 7.765,376 2.284,377 3.51,378 2.647,379 5.218,380 3.164,381 2.229,382 2.698,383 0.293,384 6.378,385 2.06,386 3.21,387 2.605,388 4.831,389 3.094,390 2.173,391 2.374,392 0.247,393 5.205,394 1.997,395 3.177,396 2.394,397 4.663,398 2.733,399 1.809,400 2.213,402 5.15,403 1.597,404 2.866,405 2.317,406 4.58,407 2.564,408 1.583,409 2.028,411 4.455,412 1.54,413 2.781,414 2.169,415 4.37,416 2.426,417 1.496,418 1.8,420 3.967,421 1.362,422 2.707,423 1.825,424 4.218,425 2.359,426 1.414,427 1.694,429 3.852,430 1.283,431 2.658,432 1.492,433 3.866,434 2.243,435 1.301,436 1.682,438 3.179,439 1.203,440 2.204,441 1.191,442 3.61,443 1.745,444 0.784,445 0.968,447 1.91,448 0.747,449 1.825,450 1.174,451 3.14,452 1.635,453 0.656,454 0.768,456 1.599,457 0.624,458 1.54,459 1.168,460 3.038,461 1.126,462 0.361,463 0.403,465 0.847,466 0.225,467 17.762,468 0.493,469 1.31,470 0.036,471 39,472 1.083,473 15.5,474 0.431,475 23.5,476 0.653,477 44.047,478 1.224,479 41.038,480 0.595,481 33.657,482 0.935,483 7.355,484 0.204,485 9.507,486 0.264,487 0.277,488 0.028,489 0.321,493 0.684,494 1.553,495 0.652,496 1.038,497 0.544,498 1.014,499 0.672,500 0.93,501 0.644,502 0.704,503 0.48,504 0.739,505 0.938,506 1.215,507 0.916,508 1.113,509 0.898,510 1.122,511 0.977,512 1.124,513 1.029,514 1.199,515 1.175,516 0.994,517 1.117,518 0.981,519 0.762,520 0.827,521 1.253,522 0.827,523 0.926,524 1.119,525 0.914,526 1.098,527 0.865,528 1.04,529 1.435,530 0.995,531 0.927,532 0.942,533 1.628,534 0.923,535 1.25,536 0.977,537 0.808,538 0.876,539 1.446,540 1.002,541 10,542 0.33,543 5.333,544 2.938,545 2.608,546 1.678,547 1.098,548 0.76,549 0.631,550 0.667,551 17684,552 53119,553 1.925,554 47.8,555 9,556 20,559 2,560 2,564 1.779,565 1.735,566 3.628,567 0.231,574 120.562,575 1.747,576 3.536,577 4.619,578 5.061,579 5.198,580 5.198,581 3.093,582 4.927,583 5.137,584 3.851,585 2425.87,586 9.06,587 38885.2,592 421.488,593 1.716,594 5.05,595 0.263,596 0.007,597 0.097,598 0.05,599 0.048,600 0.031,601 0.02,602 0.014,603 0.013,604 0.013,605 0.556,606 0.33,607 0.88,608 1.176,609 196.258,610 -0.041,611 -0.262,612 0.032,613 -0.046,614 -0.039,615 -0.022,616 0.118,617 0.248,618 0.152,619 0.25,620 0.107,621 0.22,622 -0.031,623 -0.079,624 0.011,625 -0.078,626 -0.04,627 -0.136,628 0.04,629 -0.142,630 0.005,631 -0.104,632 -0.036,633 0.008,634 0.006,635 0.005,636 0.079,637 0.08,638 -0.012,639 0.113,640 0.158,641 0.029,642 -0.048,643 -0.093,644 0.271,645 -0.101,646 -0.225,647 0.053,648 -0.026,649 0.082,650 -0.182,651 0.025,652 -0.145,653 0.049,654 -0.002,655 0.059,656 -0.159,657 -0.055,658 2.198,659 6.616,660 0.5,661 43.327,662 1.007,663 1.133,664 2.877,665 8.275,666 0.669,667 3.664,668 4.025,669 4.22,670 4.407,671 4.615,672 4.779,673 4.771,674 4.844,675 4.942,676 5.088,677 7.815,678 0.623,679 554.6,680 3.664,681 5.231,682 6.066,683 6.95,684 7.809,685 8.695,686 9.565,687 10.453,688 11.329,689 12.219,690 7.2,693 1,697 4,706 4,710 1,711 6,713 11,721 1,731 2,732 69,734 14,735 1,736 38,738 71,739 25,740 10,741 3,742 3,743 1,745 3,746 3,747 2,750 1,751 3,752 1,754 1,757 1,759 13,760 12,763 3,768 3,772 3,778 33,779 8,780 2,781 11,782 3,787 5,792 1,793 3,808 1,809 1,810 1,823 1,831 1,835 3,837 1,839 5,840 2,843 36,851 6,853 2,857 3,858 1,862 1,866 2,867 4.3,870 3,874 20.75,875 13.886,876 7.75,877 4.023,878 2.069,879 1.269,880 0.935,881 9.94,882 9.773,883 3.861,884 4.404,885 4.849,886 5.305,887 5.674,888 5.919,889 5.941,890 6.089,891 6.314,892 6.642,893 0.889,894 59,895 13.44,897 5.697,898 7.87,899 25.374,901 20.542,903 2.37,904 85.306,908 364.904,909 154.431,910 45.394,911 78.297,912 75.435,914 31.278,915 123.153,916 518.636,917 45.394,918 43.268,919 55.333,920 37.905,921 84.844,922 16.997,923 5.634,924 396.182,925 78.297,926 364.904,927 168.547,928 75.435,929 109.575,931 364.904,932 75.435,935 85.863,936 82.685,937 78.297,938 31.278,939 364.904,940 120.829,941 232.728,944 364.904,945 73.257,946 90.546,947 36.022,948 153.732,949 364.904,950 120.829,951 232.728,953 0.598,954 0.33,955 0.157,956 0.089,957 24,958 14,959 0.099,960 7,962 1,963 4.371,964 336.313,966 18,967 179.362,969 1,973 29.017,974 12.332,975 7.733,977 120.829,978 6.799,982 1.361,983 2.741,985 36.022,986 718.461,987 46.5,992 39.032,996 -0.694,998 69.469,999 78.156,1000 0.286,1001 0.579,1002 0.756,1003 0.828,1004 0.851,1005 0.851,1006 5.146,1007 1.809,1008 6.111,1009 5.205,1010 4.71,1011 5.091,1012 2.793,1013 6.956,1014 4.58,1015 6.365,1016 1.583,1017 7.712,1018 5.15,1019 4.575,1020 5.075,1021 2.125,1022 8.085,1023 4.396,1024 7.689,1025 1.496,1026 9.418,1027 4.455,1028 6.389,1029 7.193,1030 3.515,1031 11.095,1032 6.161,1033 9.043,1034 1.414,1035 11.186,1036 3.967,1037 7.004,1038 7.939,1039 3.506,1040 13.002,1041 6.738,1042 10.428,1043 1.301,1044 12.992,1045 3.852,1046 8.379,1047 9.624,1048 4.52,1049 15.608,1050 8.074,1051 11.833,1052 0.784,1053 14.826,1054 3.179,1055 9.306,1056 10.709,1057 4.826,1058 17.819,1059 8.97,1060 13.255,1061 0.656,1062 16.68,1063 1.91,1064 10.535,1065 12.234,1066 5.658,1067 20.302,1068 10.165,1069 3.37,1070 0.361,1071 18.549,1072 1.599,1073 11.598,1074 13.481,1075 6.127,1076 22.642,1077 11.199,1078 3.031,1079 11.845,1080 20.432,1081 0.847,1082 12.78,1083 14.94,1084 6.869,1085 25.09,1086 12.353,1087 2.961,1088 10.374,1089 22.324,1090 4.174,1091 13.903,1092 16.266,1093 7.424,1094 27.488,1095 13.449,1096 2.79,1097 9.465,1098 24.224,1099 3.985,1100 15.075,1101 17.698,1102 8.121,1103 29.93,1104 14.594,1105 2.488,1106 8.593,1107 26.132,1108 3.386,1109 16.228,1110 19.064,1111 8.722,1112 32.356,1113 15.721,1114 2.229,1115 7.765,1116 28.045,1117 3.117,1118 17.402,1119 20.485,1120 9.397,1121 34.802,1122 16.869,1123 2.173,1124 6.378,1125 29.964,1126 2.926,1127 18.572,1128 21.873,1129 10.024,1130 37.244,1131 18.012,1132 17665,1133 30974,1134 23.581,1135 46.176,1136 58.151,1137 61.332,1138 59.962,1139 57.263,1140 57.101,1141 68.675,1142 13.384,1143 169.647,1144 53.113,1145 5.541,1146 5.767,1147 6.677,1148 5.478,1149 5.37,1150 7.174,1151 3.348,1152 19.122,1153 5.263,1154 25.793,1155 1.53,1156 1.614,1157 1.578,1158 1.507,1159 1.503,1160 1.807,1161 0.352,1162 4.464,1163 1.398,1164 4.013,1165 4.036,1166 4.275,1167 3.997,1168 7.434,1169 3.943,1170 3.902,1171 3.922,1172 4.117,1173 3.856,1174 7.427,1175 3.844,1176 3.839,1177 3.89,1178 3.776,1179 3.654,1180 7.425,1181 3.667,1182 3.649,1183 3.729,1184 3.522,1185 3.475,1186 5.042,1187 3.469,1188 3.576,1189 3.636,1190 3.494,1191 3.392,1192 4.636,1193 3.39,1194 3.401,1195 3.444,1196 3.423,1197 3.121,1198 4.493,1199 3.166,1200 3.292,1201 3.376,1202 3.346,1203 3.102,1204 4.353,1205 3.096,1206 3.266,1207 3.322,1208 3.297,1209 3.04,1210 4.301,1211 3.048,1212 0.121,1213 0.099,1214 0.188,1215 0.114,1216 0.089,1217 4.583,1218 0.11,1219 3.767,1220 0.051,1221 7.14,1222 0.312,1223 4.336,1224 0.086,1225 3.37,1226 4.174,1227 1.94,1228 11.845,1229 3.263,1230 1.875,1231 1.858,1232 1.984,1233 1.967,1234 1.227,1235 1.967,1236 1.791,1237 1.754,1238 1.934,1239 1.95,1240 1.205,1241 1.949,1242 1.706,1243 1.647,1244 1.926,1245 1.919,1246 1.152,1247 1.941,1248 1.684,1249 1.637,1250 1.86,1251 1.876,1252 1.056,1253 1.881,1254 1.514,1255 1.457,1256 1.766,1257 1.767,1258 0.984,1259 1.77,1260 1.467,1261 1.401,1262 1.589,1263 1.682,1264 0.748,1265 1.662,1266 1.244,1267 1.204,1268 1.51,1269 1.473,1270 0.697,1271 1.462,1272 1.132,1273 1.036,1274 1.417,1275 1.374,1276 0.469,1277 1.42,1278 4.344,1280 5.694,1281 2.398,1282 7.203,1283 4.844,1284 8.785,1285 7.034,1286 10.409,1288 10.084,1289 12.251,1294 2.901,1296 5.518,1300 5.53,1301 -0.218,1305 42.995,1306 120.562,1307 243.987,1308 318.72,1309 349.184,1310 358.694,1311 358.694,1312 116.769,1313 7.704,1314 84.99,1315 113.23,1316 18,1317 12.751,1318 3.907,1319 3.248,1320 73.444,1321 162,1322 186,1323 0.212,1324 278.737,1325 491.36,1326 671.877,1327 24100,1328 2.9,1329 26.621,1330 0.739,1331 0.656,1332 27.974,1333 23.611,1334 16.862,1335 0.444,1336 0.35,1337 11.705,1338 15.233,1339 11.065,1340 9.242,1341 17.848,1342 13.319,1343 16.545,1344 0.301,1345 0.215,1346 17.875,1347 11.848,1348 12.499,1349 0.187,1350 0.121,1351 14.428,1352 8.116,1353 9.356,1354 0.116,1355 0.063,1356 10.766,1357 5.117,1358 7.366,1359 0.074,1360 0.035,1361 8.532,1362 3.524,1363 0.333,1364 116.086,1365 0.206,1366 32.878,1367 0.583,1368 186,1369 564.075,1370 260.379,1371 622.013,1372 807.8,1373 574,1374 215,1375 512.927,1376 286.92,1377 557.899,1378 813.78,1379 518,1380 4.523}
{0 CHEMBL1958401,1 1.52,2 8.5,3 1.899,4 3.608,5 77.538,6 7.115,7 0.273,8 3.734,9 3.871,10 3.266,11 3.259,12 4.779,13 3.234,14 4.287,15 4.475,16 3.592,17 3.655,18 5.32,19 3.589,20 4.599,21 4.86,22 3.555,23 3.753,24 5.487,25 3.647,26 4.52,27 4.8,28 3.464,29 3.612,30 5.46,31 3.5,32 4.368,33 4.63,34 3.436,35 3.497,36 5.378,37 3.431,38 4.293,39 4.519,40 3.377,41 3.45,42 5.389,43 3.393,44 4.242,45 4.469,46 3.167,47 3.384,48 5.349,49 3.28,50 4.087,51 4.333,52 2.818,53 3.274,54 4.97,55 3.107,56 0.024,57 0.593,58 8.231,59 3.24,60 5.496,61 4.627,62 0.182,63 0.945,64 15.388,65 5.798,66 20.251,67 8.346,68 0.228,69 1.12,70 22.951,71 7.14,72 30.475,73 11.002,74 0.276,75 1.001,76 21.585,77 6.549,78 34.545,79 10.365,80 0.23,81 0.895,82 18.39,83 5.069,84 31.479,85 7.995,86 0.21,87 0.829,88 16.752,89 4.658,90 31.481,91 7.029,92 0.323,93 0.736,94 16.191,95 5.193,96 43.338,97 7.269,98 0.134,99 0.616,100 13.601,101 5.238,102 25.389,103 7.359,104 2,105 29,106 0.275,107 0.63,108 0.722,109 0.781,110 0.807,111 0.807,112 3.058,113 0.967,114 -3.6,115 -3.58,116 -3.41,119 39.5,121 5,127 1,135 1,138 1,142 2,143 1,145 2,158 1,159 1,172 6,175 5,178 3,179 1,180 3,183 6,188 3,193 2,196 4,199 1,200 3,203 1,205 6,212 1,213 5,218 6,225 3,230 1,233 4,237 1,238 2,241 2,246 8,250 1,258 6,263 2,271 2,275 474,276 13.792,277 13.792,278 13.792,279 13.792,280 13.792,281 12.534,282 14.183,283 8.532,284 14.015,285 10.938,286 10.938,287 10.938,288 10.938,289 10.938,290 9.004,291 21.147,292 4.149,293 11.291,294 3.728,295 1.77,296 1.262,297 0.934,298 0.789,299 0.789,300 3.743,303 1,304 1,305 1,306 368,307 1.871,311 189.175,318 1.3,319 16.759,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 43,331 170,332 4.328,333 3.549,334 6.203,335 3.921,336 2.952,337 3.85,338 1.305,339 9.332,340 2.865,341 3.843,342 3.025,343 5.592,344 3.565,345 2.603,346 3.216,347 0.964,348 7.686,349 2.502,350 3.557,351 2.753,352 5.199,353 3.331,354 2.342,355 2.693,356 0.268,357 6.533,358 2.312,359 3.279,360 2.391,361 4.717,362 2.881,363 1.902,364 2.38,366 5.203,367 1.841,368 3.16,369 1.823,370 4.343,371 2.673,372 1.724,373 2.293,375 4.22,376 1.631,377 2.581,378 1.485,379 3.587,380 2.381,381 1.399,382 1.544,384 3.021,385 1.371,386 2.5,387 1.151,388 3.489,389 2.015,390 1.068,391 1.5,393 2.605,394 1.008,395 2.43,396 1,397 3.247,398 2,399 1,400 1.412,402 2.136,403 1,404 2,405 1,406 3.247,407 1.984,408 1,409 1,411 2.136,412 0.983,413 1.284,414 0.718,415 2.87,416 0.94,422 1,423 0.267,424 2.557,425 0.629,426 -0.387,427 -0.542,429 -0.991,430 -0.381,431 0.836,432 -0.332,433 2.24,434 0.446,435 -0.537,436 -0.638,438 -1.322,439 -0.529,440 0.5,441 -0.549,442 1.851,443 0.179,444 -0.793,445 -0.947,447 -1.846,448 -0.77,449 0.377,450 -0.867,451 1.555,453 -1,454 -1,456 -2.347,457 -0.946,458 0.215,459 -1,460 1.555,461 -0.049,462 -1,463 -1.348,465 -2.347,466 -1,467 9.433,468 0.472,469 0.362,470 0.018,471 23.75,472 1.188,473 10.5,474 0.525,475 13.25,476 0.663,477 15.501,478 0.775,479 21.767,480 0.573,481 14.709,482 0.735,483 4.397,484 0.22,485 5.413,486 0.271,487 0.035,489 0.265,493 0.789,494 1.398,495 0.826,496 1.116,497 0.55,498 0.99,499 0.552,500 1.178,501 0.936,502 1.189,503 0.47,504 1.129,505 1.025,506 1.036,507 0.976,508 0.956,509 0.852,510 0.952,511 0.695,512 1.034,513 0.819,514 0.926,515 0.559,516 0.888,517 1.233,518 0.941,519 0.911,520 0.801,521 1.019,522 0.794,523 1.736,524 1.085,525 1.169,526 0.99,527 1.746,528 0.993,529 1.641,530 0.77,531 1.276,532 0.997,533 2.186,534 1.094,535 1.054,536 0.94,537 1.16,538 1.171,539 1.513,540 1.204,541 3.5,542 0.016,543 1.111,544 1.063,545 0.716,546 0.486,547 0.364,548 0.165,549 0.029,550 0.023,551 3904,552 9100,553 2.138,554 47.4,555 6,556 4,558 2,559 2,561 4,564 1.619,565 2.069,566 3.106,567 0.361,569 1,571 1,574 57.759,575 1.52,576 3.478,577 3.985,578 4.313,579 4.458,580 4.458,581 2.522,582 3.622,583 4.295,584 3.201,585 608.21,586 7.342,587 6218.64,588 1,589 1,591 1,592 199.421,593 1.076,594 4.283,595 0.159,596 0.004,597 0.038,598 0.039,599 0.03,600 0.02,601 0.017,602 0.01,603 0.002,604 0.003,605 0.322,606 0.67,607 1,608 0.432,609 88.403,610 -0.058,611 -0.157,612 0.046,613 -0.023,614 0.01,615 0.02,616 0.237,617 -0.043,618 -0.027,619 -0.151,620 0.165,621 -0.137,622 -0.103,623 -0.058,624 -0.003,625 0.005,626 -0.032,627 0.016,628 0.188,629 -0.097,630 0.168,631 0.02,632 0.179,633 0.082,634 -0.087,635 0.066,636 0.097,637 0.109,638 -0.007,639 0.132,640 -0.286,641 -0.047,642 -0.158,643 -0.067,644 -0.165,645 -0.083,646 -0.107,647 0.198,648 -0.263,649 -0.033,650 -0.21,651 -0.156,652 -0.133,653 -0.049,654 -0.211,655 -0.117,656 -0.22,657 -0.173,658 1.801,659 4.775,660 0.9,661 14.13,662 0.998,663 1.134,664 2.374,665 5.638,666 0.653,667 3.135,668 3.401,669 3.611,670 3.871,671 4.078,672 4.025,673 4.111,674 4.174,675 4.174,676 4.111,677 5.092,678 0.618,679 270.37,680 3.135,681 4.635,682 5.451,683 6.301,684 7.133,685 7.991,686 8.83,687 9.691,688 10.534,689 11.396,690 10.5,692 1,697 1,699 1,700 1,706 4,707 1,711 1,713 6,732 38,734 9,736 22,738 40,739 15,740 5,743 4,745 3,746 3,749 1,754 6,757 6,759 9,760 6,763 3,768 1,770 1,771 1,772 3,774 1,775 1,778 18,779 5,780 2,781 5,787 4,792 1,793 1,802 1,809 3,822 1,827 2,830 1,835 3,843 20,851 5,853 2,856 1,867 2.6,870 1,874 9.667,875 6.567,876 4.444,877 2.497,878 1.715,879 1.262,880 0.981,881 4.003,882 8.26,883 3.367,884 3.839,885 4.301,886 4.817,887 5.288,888 5.387,889 5.668,890 5.907,891 6.088,892 6.032,893 0.833,894 27,895 7.402,897 3.121,898 7.675,899 14.38,901 11.893,903 2.175,904 43.5,905 0.001,908 188.338,909 71.742,910 69.593,912 25.145,915 71.742,916 213.483,917 69.593,919 30.683,920 46.439,921 72.934,922 38.066,923 1.899,924 164.795,926 188.338,927 141.335,928 25.145,931 141.253,932 72.229,935 83.575,936 28.742,937 29.019,939 188.338,940 94.737,941 71.742,944 188.338,945 25.219,946 46.524,947 36.022,948 58.716,949 188.338,950 94.737,951 71.742,953 0.564,954 0.314,955 0.179,956 0.101,957 14,958 5,959 0.075,960 3,962 1,963 3.346,964 146.74,966 18,967 78.439,973 13.166,974 6.081,975 3.397,977 94.737,978 7.108,979 3.98,983 0.901,985 36.022,986 354.817,987 28,992 11.775,994 1.515,995 4.503,996 1.107,998 37.92,999 43.109,1000 0.29,1001 0.663,1002 0.759,1003 0.822,1004 0.85,1005 0.85,1006 4.58,1007 1,1008 5.389,1009 2.605,1010 4.078,1011 4.522,1012 1.798,1013 6.111,1014 4.016,1015 5.728,1016 1,1017 6.878,1018 2.136,1019 3.434,1020 4.034,1021 0.623,1022 6.763,1023 3.355,1024 6.991,1026 8.464,1027 2.136,1028 5.572,1029 6.518,1030 1.956,1031 9.867,1032 5.447,1033 8.283,1034 -0.387,1035 10.109,1037 5.74,1038 6.833,1039 1.178,1040 11.367,1041 5.596,1042 9.608,1043 -0.537,1044 11.793,1045 -0.991,1046 7.324,1047 8.796,1048 2.224,1049 13.942,1050 7.139,1051 10.956,1052 -0.793,1053 13.504,1054 -1.322,1055 7.912,1056 9.537,1057 1.72,1058 15.823,1059 7.704,1060 12.323,1061 -1,1062 15.235,1063 -1.846,1064 9.226,1065 11.234,1066 2.565,1067 18.188,1068 8.98,1069 2.952,1070 -1,1071 16.981,1072 -2.347,1073 10.041,1074 12.22,1075 2.269,1076 20.25,1077 9.768,1078 2.603,1079 9.332,1080 18.738,1081 -2.347,1082 11.221,1083 13.768,1084 2.962,1085 22.529,1086 10.915,1087 2.342,1088 7.686,1089 20.505,1090 3.85,1091 12.157,1092 14.899,1093 2.823,1094 24.677,1095 11.821,1096 1.902,1097 6.533,1098 22.28,1099 3.216,1100 13.274,1101 16.362,1102 3.401,1103 26.923,1104 12.907,1105 1.724,1106 5.203,1107 24.062,1108 2.693,1109 14.274,1110 17.58,1111 3.377,1112 29.112,1113 13.877,1114 1.399,1115 4.22,1116 25.848,1117 2.38,1118 15.363,1119 18.994,1120 3.87,1121 31.346,1122 14.935,1123 1.068,1124 3.021,1125 27.64,1126 2.293,1127 16.397,1128 20.263,1129 3.928,1130 33.556,1131 15.939,1132 3756,1133 5878,1134 15.197,1135 24.807,1136 32.473,1137 33.023,1138 32.259,1139 31.991,1140 31.979,1141 39.776,1142 5.075,1143 85.743,1144 31.027,1145 5.328,1146 5.549,1147 6.005,1148 4.992,1149 4.952,1150 6.85,1151 2.416,1152 15.602,1153 4.865,1154 5.259,1155 1.476,1156 1.501,1157 1.466,1158 1.454,1159 1.454,1160 1.808,1161 0.231,1162 3.897,1163 1.41,1164 3.968,1165 4.013,1166 3.918,1167 3.849,1168 7.43,1169 3.858,1170 3.851,1171 3.904,1172 3.729,1173 3.739,1174 4.938,1175 3.727,1176 3.661,1177 3.714,1178 3.595,1179 3.463,1180 4.716,1181 3.493,1182 3.233,1183 3.309,1184 3.104,1185 3.031,1186 4.276,1187 3.033,1188 3.111,1189 3.206,1190 2.866,1191 2.941,1192 3.94,1193 2.91,1194 2.904,1195 2.966,1196 2.863,1197 2.735,1198 3.674,1199 2.715,1200 2.867,1201 2.926,1202 2.722,1203 2.674,1204 3.625,1205 2.696,1206 2.854,1207 2.925,1208 2.687,1209 2.61,1210 3.474,1211 2.656,1212 0.197,1213 0.161,1214 0.282,1215 0.178,1216 0.134,1217 4.328,1218 0.175,1219 3.549,1220 0.059,1221 6.203,1222 0.424,1223 3.921,1224 0.13,1225 2.952,1226 3.85,1227 1.305,1228 9.332,1229 2.865,1230 1.902,1231 1.865,1232 2.095,1233 2.057,1234 1.476,1235 2.064,1236 1.856,1237 1.805,1238 1.976,1239 1.989,1240 1.036,1241 1.995,1242 1.573,1243 1.526,1244 1.684,1245 1.801,1246 0.827,1247 1.773,1248 1.205,1249 1.128,1250 1.513,1251 1.444,1252 0.825,1253 1.458,1254 1.153,1255 1.064,1256 1.485,1257 1.376,1258 0.614,1259 1.429,1260 0.886,1261 0.821,1262 1.181,1263 1.09,1264 0.218,1265 1.107,1266 0.837,1267 0.757,1268 1.085,1269 1.062,1270 0.144,1271 1.102,1272 0.738,1273 0.701,1274 0.905,1275 1.054,1277 1.004,1278 3.807,1280 5.081,1282 6.558,1284 8.122,1286 9.729,1294 6.073,1296 6.121,1299 0.416,1305 23.488,1306 57.759,1307 132.148,1308 151.447,1309 163.911,1310 169.421,1311 169.421,1312 27.301,1313 6.545,1314 70.67,1315 70.67,1316 18,1317 11.949,1318 3.322,1319 2.807,1320 29.892,1321 61,1322 56,1323 0.243,1324 146.084,1325 257.03,1326 348.206,1327 5390,1329 13.786,1330 0.689,1331 0.565,1332 13.786,1333 11.302,1334 9.81,1335 0.446,1336 0.322,1337 7.013,1338 9.474,1339 6.91,1340 5.742,1341 9.81,1342 7.094,1343 8.576,1344 0.296,1345 0.179,1346 8.576,1347 5.194,1348 6.785,1349 0.188,1350 0.102,1351 6.785,1352 3.664,1353 5.88,1354 0.125,1355 0.056,1356 5.88,1357 2.637,1358 4.71,1359 0.081,1360 0.032,1361 4.71,1362 1.844,1363 0.374,1364 61.16,1365 0.257,1366 19.924,1367 0.687,1368 102,1369 279.691,1370 111.93,1371 273.142,1372 374.23,1373 256,1374 116,1375 276.791,1376 124.988,1377 279.356,1378 404.57,1379 264,1380 5.1}
{0 CHEMBL196363,1 1.652,2 11.852,3 3.463,4 11.989,5 109.616,6 8.534,7 0.733,8 3.903,9 4.018,10 3.629,11 3.534,12 5.101,13 3.501,14 4.355,15 4.496,16 3.997,17 3.912,18 5.561,19 3.855,20 4.551,21 4.72,22 3.992,23 3.999,24 5.679,25 3.924,26 4.63,27 4.836,28 3.999,29 3.967,30 5.764,31 3.87,32 4.586,33 4.798,34 3.778,35 3.844,36 5.736,37 3.739,38 4.422,39 4.649,40 3.617,41 3.66,42 5.565,43 3.579,44 4.268,45 4.481,46 3.435,47 3.547,48 5.368,49 3.463,50 4.186,51 4.415,52 3.382,53 3.51,54 5.202,55 3.387,56 0.053,57 0.684,58 7.51,59 3.604,60 9.261,61 4.155,62 0.238,63 1.07,64 14.487,65 6.293,66 21.591,67 7.635,68 0.162,69 1.242,70 17.095,71 7.435,72 25.011,73 8.876,74 0.192,75 1.328,76 23.226,77 8.869,78 29.647,79 11.042,80 0.294,81 1.236,82 25.098,83 8.659,84 44.567,85 9.681,86 0.242,87 1.037,88 20.292,89 7.016,90 39.249,91 8.361,92 0.242,93 0.892,94 14.92,95 5.301,96 35.878,97 6.483,98 0.15,99 0.806,100 15.179,101 6.289,102 18.599,103 8.223,104 10,105 42,106 0.281,107 0.627,108 0.76,109 0.845,110 0.863,111 0.871,112 3.339,113 0.921,114 -4.46,115 -4.38,116 -4.13,119 45.5,120 1,142 8,143 4,144 2,147 1,148 1,151 1,159 1,161 1,163 1,164 1,165 1,172 11,174 1,175 3,177 1,178 3,179 1,180 5,183 15,185 1,188 2,193 5,196 10,198 1,200 7,202 1,203 1,205 9,208 5,210 2,213 8,218 7,221 2,223 2,225 7,230 6,233 4,235 2,238 1,243 2,246 8,250 1,253 2,254 1,255 1,257 1,258 10,263 1,268 1,271 8,275 1035,276 18.309,277 18.309,278 18.309,279 18.309,280 18.309,281 15.515,282 17.311,283 10.791,284 18.738,285 14.831,286 14.831,287 14.831,288 14.831,289 14.831,290 10.69,291 24.218,292 5.145,293 15.516,294 3.808,295 1.772,296 0.989,297 0.489,298 0.381,299 0.335,300 4.038,303 1,304 1,305 1,306 703,307 3,310 62.79,311 262.4,314 118.128,318 1.953,319 20.371,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 57.5,331 320,332 4.666,333 3.563,334 6.884,335 4.192,336 3.229,337 4.626,338 1.656,339 11.489,340 3.118,341 4.1,342 3.244,343 5.857,344 3.717,345 2.745,346 3.686,347 0.247,348 8.081,349 2.664,350 4.033,351 2.744,352 5.617,353 3.603,354 2.625,355 3.648,357 7.758,358 2.563,359 3.733,360 2.649,361 5.391,362 3.364,363 2.391,364 3.078,366 7.082,367 2.317,368 3.468,369 2.327,370 5.034,371 3.075,372 2.095,373 2.81,375 5.716,376 2.045,377 3.416,378 2.136,379 4.901,380 2.863,381 1.99,382 2.741,384 5.674,385 1.745,386 3.165,387 2.058,388 4.542,389 2.738,390 1.743,391 2.381,393 4.688,394 1.703,395 2.977,396 1.539,397 4.38,398 2.442,399 1.493,400 2.182,402 4.009,403 1.409,404 2.658,405 1.24,406 3.81,407 2.179,408 1.182,409 1.729,411 2.689,412 1.178,413 2.553,414 1.088,415 3.479,416 2,417 1.064,418 1.577,420 2.585,421 1,422 2.5,423 1,424 3.414,425 1.994,426 1,427 1.5,429 2.275,430 0.979,431 2.187,432 0.807,433 3.313,434 1.573,435 0.744,436 1.053,438 1.81,439 0.602,440 1.322,441 0.624,442 2.949,443 1.016,444 0.072,445 0.085,447 0.194,448 0.067,449 1.182,450 0.275,451 2.508,452 0.764,453 -0.233,454 -0.304,456 -0.562,457 -0.227,458 1.042,459 -0.131,460 2.365,461 0.582,462 -0.335,463 -0.442,465 -0.77,466 -0.307,467 13.167,468 0.488,469 0.661,470 0.024,471 40.5,472 1.5,473 23,474 0.852,475 17.5,476 0.648,477 18.212,478 0.675,479 27.033,480 0.614,481 28.353,482 1.05,483 7.929,484 0.294,485 5.168,486 0.191,487 0.094,489 0.342,493 0.897,494 1.051,495 0.724,496 0.775,497 0.765,498 0.754,499 0.439,500 0.924,501 0.82,502 0.931,503 0.48,504 0.874,505 1.095,506 1.124,507 0.901,508 0.961,509 1.022,510 1.04,511 0.827,512 1.17,513 0.904,514 1.108,515 0.783,516 1.039,517 1.571,518 1.061,519 1.32,520 1.138,521 1.576,522 1.071,523 1.425,524 0.992,525 1.001,526 0.911,527 1.447,528 0.9,529 1.537,530 0.917,531 0.956,532 0.836,533 1.658,534 1.011,535 0.421,536 0.827,537 0.795,538 0.987,539 0.551,540 1.008,541 5.5,542 0.091,543 2.667,544 2.063,545 1.468,546 0.722,547 0.406,548 0.305,549 0.193,550 0.208,551 10041,552 28348,553 2.12,554 38.6,555 3,556 8,557 1,558 1,559 4,564 1.694,565 2,566 3.514,567 1.698,569 1,574 72.68,575 1.652,576 3.687,577 4.471,578 4.971,579 5.079,580 5.124,581 2.94,582 4.607,583 4.728,584 3.718,585 1304.95,586 8.171,587 17354.7,589 1,591 1,592 240.215,593 1.352,594 4.694,595 0.183,596 0.005,597 0.063,598 0.05,599 0.039,600 0.023,601 0.015,602 0.013,603 0.009,604 0.01,605 0.411,606 0.17,607 1,608 0.528,609 136.072,610 -0.138,611 0.032,612 0.035,613 0.105,614 -0.15,615 0.081,616 0.351,617 0.124,618 0.063,619 0.023,620 0.165,621 0.021,622 -0.17,623 -0.121,624 -0.086,625 -0.068,626 -0.148,627 -0.134,628 0.078,629 -0.206,630 0.097,631 -0.11,632 0.116,633 -0.047,634 -0.265,635 -0.075,636 -0.202,637 -0.096,638 -0.142,639 -0.094,640 -0.183,641 -0.031,642 -0.017,643 0.043,644 -0.079,645 0.081,646 -0.318,647 0.051,648 -0.149,649 0.014,650 -0.349,651 -0.079,652 0.294,653 0.056,654 0.126,655 -0.01,656 0.16,657 0.046,658 1.952,659 5.173,660 0.778,661 26.123,662 1.005,663 1.116,664 3.225,665 10.401,666 0.72,667 3.434,668 3.761,669 4.025,670 4.317,671 4.489,672 4.522,673 4.605,674 4.762,675 4.762,676 4.828,677 7.122,678 0.686,679 375.49,680 3.434,681 4.977,682 5.826,683 6.708,684 7.572,685 8.459,686 9.33,687 10.22,688 11.096,689 11.989,690 11.4,694 1,697 2,700 2,705 2,706 10,707 2,710 1,711 6,713 22,724 1,732 44,734 23,735 2,736 30,738 47,739 20,740 18,741 4,742 8,745 4,746 5,750 1,751 1,759 19,760 1,763 1,768 1,772 1,775 1,778 17,779 6,780 4,781 7,782 1,787 5,792 0.75,793 1,803 1,808 1,809 3,812 1,835 3,837 1,839 1,843 27,844 1,853 2,862 1,867 2.3,870 1,874 13.5,875 8.15,876 5.861,877 2.4,878 4.106,879 1.541,880 1.041,881 4.84,882 11.695,883 3.761,884 4.41,885 5.02,886 5.664,887 6.181,888 6.463,889 6.868,890 7.339,891 7.561,892 7.903,893 0.875,894 41,895 9.912,897 4.215,898 7.753,899 18.786,901 15.322,903 2.253,904 60.833,907 1,908 153.024,909 156.744,910 102.49,912 25.145,914 31.278,915 125.467,916 178.169,917 102.49,918 8.825,919 36.022,920 116.356,921 70.804,922 26.262,923 18.375,924 160.76,926 153.024,927 227.956,928 25.145,929 31.278,931 153.024,932 25.145,935 53.782,936 140.603,937 33.571,938 31.278,939 153.024,940 127.635,941 156.744,944 153.024,945 55.842,946 100.903,947 36.022,948 91.613,949 153.024,950 127.635,951 156.744,953 0.583,954 0.336,955 0.189,956 0.098,957 21,958 9,959 0.064,960 3,961 1,962 1.095,963 3.994,964 227.926,965 0.095,966 21,967 122.382,969 1,973 17.588,974 7.43,975 3.82,976 1.72,977 127.635,978 18.727,979 8.33,982 1.529,983 4.993,985 68.919,986 437.403,987 42,992 12.173,996 -0.285,998 44.214,999 49.112,1000 0.303,1001 0.675,1002 0.819,1003 0.91,1004 0.93,1005 0.939,1006 4.98,1007 1.493,1008 5.808,1009 4.688,1010 4.443,1011 5.097,1012 1.758,1013 6.611,1014 4.361,1015 6.205,1016 1.182,1017 7.357,1018 4.009,1019 4.007,1020 4.902,1021 1.195,1022 7.489,1023 3.917,1024 7.517,1025 1.064,1026 9.004,1027 2.689,1028 6.023,1029 7.352,1030 2.415,1031 10.607,1032 5.876,1033 8.865,1034 1,1035 10.712,1036 2.585,1037 6.399,1038 7.999,1039 2.324,1040 12.381,1041 6.237,1042 10.244,1043 0.744,1044 12.461,1045 2.275,1046 7.888,1047 9.914,1048 3.244,1049 15.029,1050 7.682,1051 11.647,1052 0.072,1053 14.241,1054 1.81,1055 8.658,1056 10.992,1057 3.407,1058 17.197,1059 8.427,1060 13.07,1061 -0.233,1062 16.046,1063 0.194,1064 9.932,1065 12.675,1066 4.156,1067 19.697,1068 9.664,1069 3.229,1070 -0.335,1071 17.872,1072 -0.562,1073 10.899,1074 13.979,1075 4.464,1076 22.031,1077 10.6,1078 2.745,1079 11.489,1080 19.715,1081 -0.77,1082 12.088,1083 15.563,1084 5.111,1085 24.486,1086 11.754,1087 2.625,1088 8.081,1089 21.572,1090 4.626,1091 13.153,1092 16.981,1093 5.504,1094 26.885,1095 12.783,1096 2.391,1097 7.758,1098 23.442,1099 3.686,1100 14.313,1101 18.526,1102 6.091,1103 29.329,1104 13.908,1105 2.095,1106 7.082,1107 25.321,1108 3.648,1109 15.425,1110 20,1111 6.531,1112 31.753,1113 14.984,1114 1.99,1115 5.716,1116 27.209,1117 3.078,1118 16.579,1119 21.531,1120 7.083,1121 34.194,1122 16.103,1123 1.743,1124 5.674,1125 29.104,1126 2.81,1127 17.716,1128 23.033,1129 7.551,1130 36.628,1131 17.203,1132 9415,1133 15989,1134 20.285,1135 31.699,1136 45.308,1137 45.843,1138 46.346,1139 44.638,1140 44.744,1141 62.193,1142 3.806,1143 128.101,1144 42.782,1145 5.533,1146 5.563,1147 6.441,1148 5.299,1149 5.229,1150 7.626,1151 2.912,1152 18.662,1153 5.118,1154 11.774,1155 1.51,1156 1.528,1157 1.545,1158 1.488,1159 1.491,1160 2.073,1161 0.127,1162 4.27,1163 1.426,1164 4.093,1165 4.111,1166 4.324,1167 4.08,1168 7.431,1169 4.043,1170 3.932,1171 3.966,1172 3.884,1173 3.859,1174 5.222,1175 3.855,1176 3.829,1177 3.864,1178 3.802,1179 3.759,1180 4.803,1181 3.748,1182 3.442,1183 3.491,1184 3.443,1185 3.188,1186 4.754,1187 3.226,1188 3.267,1189 3.32,1190 3.38,1191 3.121,1192 4.697,1193 3.108,1194 3.144,1195 3.222,1196 3,1197 2.985,1198 4.268,1199 2.968,1200 3,1201 3.107,1202 2.929,1203 2.812,1204 4.018,1205 2.791,1206 2.866,1207 2.94,1208 2.751,1209 2.735,1210 3.859,1211 2.715,1212 0.156,1213 0.119,1214 0.229,1215 0.14,1216 0.108,1217 4.666,1218 0.154,1219 3.563,1220 0.055,1221 6.884,1222 0.383,1223 4.192,1224 0.104,1225 3.229,1226 4.626,1227 1.656,1228 11.489,1229 3.118,1230 1.948,1231 1.925,1232 2.042,1233 2.043,1234 1.157,1235 2.041,1236 1.911,1237 1.882,1238 2.022,1239 2.001,1240 1.13,1241 2.009,1242 1.748,1243 1.716,1244 1.789,1245 1.903,1246 0.872,1247 1.886,1248 1.389,1249 1.375,1250 1.56,1251 1.613,1252 0.617,1253 1.585,1254 1.266,1255 1.217,1256 1.414,1257 1.411,1258 0.583,1259 1.456,1260 1.139,1261 1.075,1262 1.294,1263 1.348,1264 0.301,1265 1.378,1266 0.893,1267 0.839,1268 1.181,1269 1.23,1270 0.218,1271 1.225,1272 0.886,1273 0.821,1274 1.162,1275 1.062,1276 0.144,1277 1.107,1278 4.111,1280 5.434,1281 2.398,1282 6.946,1283 4.727,1284 8.547,1285 6.862,1286 10.193,1288 1.98,1292 6.009,1296 5.658,1305 30.17,1306 72.68,1307 162.241,1308 196.705,1309 218.705,1310 223.46,1311 225.46,1312 37.104,1313 7.589,1314 92.93,1315 121.17,1316 23,1317 12.519,1318 4.585,1319 3.7,1320 40.549,1321 119,1322 99,1323 0.169,1324 189.941,1325 314.78,1326 455.216,1327 22050,1329 18.803,1330 0.696,1331 0.57,1332 19.156,1333 15.378,1334 13.097,1335 0.437,1336 0.307,1337 8.316,1338 12.275,1339 8.009,1340 6.688,1341 13.551,1342 9.207,1343 11.982,1344 0.285,1345 0.166,1346 12.533,1347 6.972,1348 9.814,1349 0.178,1350 0.091,1351 10.488,1352 5.016,1353 8.669,1354 0.117,1355 0.051,1356 9.53,1357 3.784,1358 6.625,1359 0.075,1360 0.027,1361 7.378,1362 2.402,1363 0.272,1364 85.716,1365 0.222,1366 26.359,1367 0.444,1368 144,1369 405.864,1370 177.906,1371 426.052,1372 588.56,1373 398,1374 169,1375 426.318,1376 198.864,1377 452.284,1378 657.73,1379 424,1380 5.1}
{0 CHEMBL1964290,1 1.557,2 7.957,3 2.942,4 8.656,5 90.446,6 7.685,7 0.68,8 3.793,9 3.928,10 3.373,11 3.34,12 5.01,13 3.33,14 4.249,15 4.42,16 3.747,17 3.715,18 5.482,19 3.685,20 4.427,21 4.596,22 3.795,23 3.846,24 5.589,25 3.801,26 4.566,27 4.757,28 3.791,29 3.895,30 5.706,31 3.822,32 4.674,33 4.924,34 3.73,35 3.883,36 5.708,37 3.787,38 4.566,39 4.799,40 3.691,41 3.76,42 5.77,43 3.691,44 4.482,45 4.714,46 3.483,47 3.606,48 5.697,49 3.524,50 4.338,51 4.595,52 3.244,53 3.386,54 5.621,55 3.284,56 0.056,57 0.631,58 7.707,59 3.105,60 11.975,61 4.125,62 0.175,63 0.949,64 13.314,65 5.549,66 29.426,67 7.541,68 0.159,69 1.105,70 15.995,71 6.3,72 25.722,73 8.421,74 0.2,75 1.219,76 19.066,77 7.358,78 30.328,79 10.143,80 0.268,81 1.255,82 24.021,83 8.479,84 39.566,85 12.175,86 0.283,87 1.132,88 21.142,89 7.01,90 45.527,91 9.954,92 0.248,93 0.992,94 19.846,95 6.434,96 52.522,97 8.9,98 0.403,99 0.845,100 18.055,101 5.324,102 73.297,103 7.642,104 27,105 36,106 0.274,107 0.645,108 0.773,109 0.85,110 0.876,111 0.876,112 3.19,113 0.858,114 -3.36,115 -3.34,116 -3.2,119 42.5,120 2,142 5,143 4,145 1,146 1,150 1,152 2,158 1,163 2,164 2,165 2,172 9,174 1,175 3,177 3,178 3,180 4,183 11,185 1,188 2,191 1,193 4,196 12,198 1,200 2,203 1,204 1,205 5,207 1,208 8,210 2,213 4,216 1,217 1,218 5,220 1,221 6,223 3,224 1,225 7,227 1,228 1,230 5,233 4,235 5,238 6,243 3,246 3,248 3,249 1,250 4,252 2,253 2,254 1,255 2,257 2,258 2,260 2,261 1,263 3,268 3,273 3,275 695,276 15.137,277 15.137,278 15.137,279 15.137,280 15.137,281 12.892,282 9.269,283 8.735,284 15.329,285 12.301,286 12.301,287 12.301,288 12.301,289 12.301,290 8.966,291 6.931,292 4.114,293 12.625,294 3.765,295 1.656,296 0.928,297 0.488,298 0.338,299 0.338,300 3.863,303 1,304 1,305 1,306 386,307 2.646,310 60.596,311 148.964,318 1.187,319 21.755,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49.5,331 183,332 4.601,333 3.561,334 6.831,335 4.225,336 3.239,337 4.333,338 0.98,339 11.287,340 3.196,341 4.25,342 3.157,343 6.256,344 3.855,345 2.873,346 3.899,348 9.296,349 2.828,350 4.03,351 2.901,352 6.009,353 3.626,354 2.648,355 3.592,357 8.397,358 2.583,359 3.565,360 2.543,361 5.315,362 3.132,363 2.192,364 2.896,366 6.142,367 2.08,368 3.41,369 2.23,370 5.038,371 3.052,372 2.058,373 2.668,375 6.019,376 2.008,377 2.972,378 1.787,379 4.455,380 2.493,381 1.513,382 2.143,384 4.116,385 1.476,386 2.866,387 1.518,388 4.12,389 2.414,390 1.414,391 2.028,393 3.225,394 1.414,395 2.69,396 1.318,397 3.837,398 2.189,399 1.222,400 1.763,402 3.035,403 1.178,404 2.433,405 1.046,406 3.548,407 1.919,408 0.965,409 1.395,411 2.475,412 0.918,413 2.273,414 1.009,415 3.467,416 1.74,417 0.761,418 1.109,420 2.02,421 0.739,422 1.34,423 0.419,424 2.73,425 1.101,426 0.108,427 0.127,429 0.243,430 0.107,431 0.949,432 0.101,433 2.509,434 0.537,435 -0.398,436 -0.505,438 -0.887,439 -0.368,440 0.908,441 -0.247,442 2.358,443 0.513,444 -0.47,445 -0.615,447 -1.143,448 -0.465,449 0.691,450 -0.337,451 2,452 0.234,453 -0.718,454 -0.947,456 -2,457 -0.682,458 0.498,459 -0.697,460 2,461 0.056,462 -1,463 -1.232,465 -2.029,466 -1.005,467 10.833,468 0.471,469 0.703,470 0.031,471 32.75,472 1.424,473 18,474 0.783,475 14.75,476 0.641,477 16.445,478 0.715,479 23.967,480 0.599,481 23.878,482 1.038,483 6.64,484 0.289,485 4.329,486 0.188,487 0.197,489 0.415,493 0.938,494 1.124,495 0.81,496 0.882,497 0.885,498 0.821,499 0.457,500 0.942,501 0.641,502 0.89,503 0.391,504 0.812,505 1.017,506 1.121,507 0.999,508 1.073,509 0.916,510 1.042,511 0.843,512 1.24,513 1.089,514 1.27,515 0.862,516 1.228,517 0.786,518 0.915,519 0.888,520 0.967,521 0.73,522 0.947,523 1.065,524 1.015,525 0.973,526 1.017,527 1.058,528 0.985,529 1.515,530 1.152,531 1.15,532 1.135,533 1.763,534 1.11,535 1.328,536 0.876,537 1.165,538 0.936,539 1.544,540 1.025,541 5,542 0.025,543 3.111,544 1.785,545 1.741,546 1.042,547 0.598,548 0.347,549 0.193,550 0.096,551 4908,552 13942,553 2.016,554 42.5,555 6,556 5,558 1,559 5,564 1.664,565 1.84,566 3.023,567 2.675,568 1,569 1,571 1,574 62.294,575 1.557,576 3.666,577 4.394,578 4.834,579 4.984,580 4.984,581 2.442,582 4.35,583 4.496,584 3.157,585 798.847,586 7.778,587 8874.43,588 1,589 1,590 1,591 1,592 212.877,593 1.538,594 4.428,595 0.2,596 0.006,597 0.086,598 0.048,599 0.05,600 0.032,601 0.019,602 0.014,603 0.011,604 0.01,605 0.476,606 0.33,607 1,608 0.872,609 105.287,610 -0.166,611 0.061,612 -0.002,613 0.114,614 -0.204,615 0.093,616 0.291,617 0.145,618 0.222,619 0.13,620 0.254,621 0.155,622 -0.123,623 -0.039,624 -0.13,625 -0.071,626 -0.087,627 -0.098,628 0.012,629 -0.205,630 -0.192,631 -0.272,632 -0.061,633 -0.267,634 0.048,635 0.021,636 0.095,637 0.032,638 0.044,639 0.065,640 0.016,641 -0.045,642 0.015,643 -0.052,644 0.067,645 -0.02,646 -0.202,647 -0.228,648 -0.134,649 -0.168,650 -0.184,651 -0.148,652 0.043,653 0.05,654 -0.108,655 -0.007,656 0.016,657 -0.077,658 2.162,659 4.848,660 0.739,661 16.817,662 1.003,663 1.13,664 2.13,665 4.538,666 0.676,667 3.258,668 3.611,669 3.892,670 4.159,671 4.382,672 4.477,673 4.554,674 4.625,675 4.654,676 4.595,677 5.085,678 0.65,679 307.39,680 3.258,681 4.812,682 5.673,683 6.567,684 7.452,685 8.352,686 9.246,687 10.149,688 11.049,689 11.954,690 12.5,694 1,697 1,698 1,700 2,706 6,707 2,708 1,711 8,713 17,719 1,724 1,732 40,734 18,735 1,736 25,738 42,739 17,740 14,741 3,742 3,743 1,745 3,746 3,751 2,759 15,760 2,763 1,768 1,772 1,774 1,775 1,778 17,779 5,780 5,781 6,787 5,792 1,793 1,803 1,804 1,808 1,809 2,835 3,839 2,843 23,844 2,867 2.5,870 1,874 12.5,875 7.733,876 5,877 2.175,878 3.072,879 1.446,880 1.015,881 3.886,882 9.959,883 3.57,884 4.223,885 4.835,886 5.443,887 5.97,888 6.312,889 6.704,890 7.116,891 7.481,892 7.768,893 1,894 37,895 8.433,897 3.571,898 7.87,899 15.793,901 12.731,903 2.37,904 54.5,907 1,908 141.253,909 101.695,910 116.151,912 25.145,915 101.695,916 166.398,917 116.151,918 17.65,919 32.897,920 80.278,921 75.192,922 41.332,923 7.413,924 129.482,926 141.253,927 217.846,928 25.145,931 141.253,932 25.145,935 81.036,936 103.239,937 33.571,939 141.253,940 141.296,941 101.695,944 141.253,945 27.616,946 74.079,947 16.786,948 124.51,949 141.253,950 141.296,951 101.695,953 0.592,954 0.349,955 0.185,956 0.104,957 18,958 9,959 0.071,960 3,962 1,963 3.362,964 188.824,966 17,967 102.042,973 15.254,974 5.859,975 2.832,977 124.51,978 10.92,979 8.049,980 3.244,983 5.723,985 82.58,986 384.244,987 34.5,992 11.848,996 -0.495,998 40.138,999 45.192,1000 0.293,1001 0.689,1002 0.826,1003 0.908,1004 0.937,1005 0.937,1006 4.806,1007 1.222,1008 5.687,1009 3.225,1010 4.29,1011 4.909,1012 1.072,1013 6.535,1014 4.244,1015 6.051,1016 0.965,1017 7.277,1018 3.035,1019 4.007,1020 4.796,1022 7.516,1023 3.952,1024 7.378,1025 0.761,1026 8.968,1027 2.475,1028 5.922,1029 7.153,1030 1.045,1031 10.637,1032 5.838,1033 8.743,1034 0.108,1035 10.716,1036 2.02,1037 6.431,1038 7.837,1040 12.435,1041 6.344,1042 10.137,1043 -0.398,1044 12.5,1045 0.243,1046 7.858,1047 9.68,1048 1.019,1049 15.089,1050 7.747,1051 11.553,1052 -0.47,1053 14.308,1054 -0.887,1055 8.717,1056 10.738,1058 17.225,1059 8.602,1060 12.987,1061 -0.718,1062 16.136,1063 -1.143,1064 9.962,1065 12.362,1066 0.993,1067 19.717,1068 9.829,1069 3.239,1070 -1,1071 17.977,1072 -2,1073 10.979,1074 13.607,1076 22.004,1077 10.839,1078 2.873,1079 11.287,1080 19.829,1081 -2.029,1082 12.158,1083 15.132,1084 0.967,1085 24.44,1086 12.002,1087 2.648,1088 9.296,1089 21.689,1090 4.333,1091 13.247,1092 16.473,1094 26.794,1095 13.083,1096 2.192,1097 8.397,1098 23.557,1099 3.899,1100 14.404,1101 17.953,1102 0.942,1103 29.212,1104 14.226,1105 2.058,1106 6.142,1107 25.431,1108 3.592,1109 15.528,1110 19.344,1112 31.599,1113 15.34,1114 1.513,1115 6.019,1116 27.31,1117 2.896,1118 16.681,1119 20.805,1120 0.917,1121 34.014,1122 16.48,1123 1.414,1124 4.116,1125 29.193,1126 2.668,1127 17.823,1128 22.224,1130 36.416,1131 17.61,1132 4889,1133 8360,1134 16.126,1135 27.051,1136 38.579,1137 38.967,1138 40.153,1139 38.021,1140 37.986,1141 51.91,1142 1.96,1143 112.508,1144 37.051,1145 5.292,1146 5.561,1147 6.383,1148 5.297,1149 5.239,1150 7.333,1151 1.96,1152 18.726,1153 5.196,1154 13.082,1155 1.543,1156 1.559,1157 1.606,1158 1.521,1159 1.519,1160 2.076,1161 0.078,1162 4.5,1163 1.482,1164 4.088,1165 4.121,1166 4.054,1167 4.002,1168 7.437,1169 4.009,1170 3.869,1171 3.909,1172 3.817,1173 3.774,1174 5.237,1175 3.781,1176 3.703,1177 3.754,1178 3.654,1179 3.535,1180 4.924,1181 3.559,1182 3.289,1183 3.357,1184 3.214,1185 3.048,1186 4.807,1187 3.03,1188 3.181,1189 3.262,1190 2.993,1191 2.986,1192 4.653,1193 3.01,1194 3.132,1195 3.227,1196 2.936,1197 2.939,1198 4.489,1199 2.948,1200 3.015,1201 3.127,1202 2.847,1203 2.74,1204 3.926,1205 2.762,1206 2.718,1207 2.789,1208 2.577,1209 2.559,1210 3.891,1211 2.545,1212 0.184,1213 0.142,1214 0.273,1215 0.169,1216 0.13,1217 4.601,1218 0.173,1219 3.561,1220 0.039,1221 6.831,1222 0.451,1223 4.225,1224 0.128,1225 3.239,1226 4.333,1227 0.98,1228 11.287,1229 3.196,1230 1.963,1231 1.94,1232 2.07,1233 2.04,1234 1.228,1235 2.05,1236 1.797,1237 1.755,1238 1.876,1239 1.972,1240 0.908,1241 1.947,1242 1.547,1243 1.523,1244 1.655,1245 1.733,1246 0.748,1247 1.706,1248 1.336,1249 1.269,1250 1.56,1251 1.593,1252 0.616,1253 1.569,1254 1.214,1255 1.139,1256 1.535,1257 1.418,1258 0.561,1259 1.471,1260 1.146,1261 1.058,1262 1.433,1263 1.401,1264 0.435,1265 1.436,1266 0.944,1267 0.844,1268 1.246,1269 1.285,1271 1.289,1272 0.899,1273 0.813,1274 1.195,1275 1.22,1277 1.228,1278 3.932,1280 5.273,1281 2.398,1282 6.806,1283 4.727,1284 8.426,1285 6.862,1286 10.091,1288 4.038,1292 11.173,1305 25.983,1306 62.294,1307 146.638,1308 175.758,1309 193.367,1310 199.367,1311 199.367,1312 36.154,1313 6.887,1314 110.68,1315 110.68,1316 17,1317 12.474,1318 4.248,1319 3.392,1320 36.528,1321 69,1322 65,1323 0.265,1324 163.281,1325 272.91,1326 390.166,1327 7503,1329 16.56,1330 0.72,1331 0.562,1332 16.56,1333 12.921,1334 10.969,1335 0.439,1336 0.286,1337 7.073,1338 10.627,1339 6.819,1340 5.718,1341 10.969,1342 7.154,1343 10.266,1344 0.285,1345 0.15,1346 10.266,1347 5.383,1348 8.519,1349 0.177,1350 0.081,1351 8.519,1352 3.907,1353 6.925,1354 0.11,1355 0.04,1356 6.925,1357 2.545,1358 5.518,1359 0.07,1360 0.021,1361 5.518,1362 1.648,1363 0.399,1364 68.241,1365 0.249,1366 22.015,1367 0.784,1368 122,1369 343.983,1370 132.263,1371 344.375,1372 475.42,1373 320,1374 145,1375 358.862,1376 154.349,1377 368.411,1378 536.18,1379 346,1380 5.8}
{0 CHEMBL1964307,1 1.458,2 11.37,3 4.09,4 16.731,5 109.069,6 7.584,7 0.733,8 3.95,9 4.076,10 3.534,11 3.556,12 5.107,13 3.529,14 4.421,15 4.574,16 3.886,17 3.945,18 5.538,19 3.895,20 4.658,21 4.84,22 3.903,23 4.058,24 5.74,25 3.981,26 4.741,27 4.968,28 3.856,29 4.022,30 5.79,31 3.928,32 4.686,33 4.91,34 3.74,35 3.921,36 5.805,37 3.83,38 4.605,39 4.852,40 3.576,41 3.808,42 5.648,43 3.698,44 4.426,45 4.667,46 3.338,47 3.666,48 5.395,49 3.535,50 4.293,51 4.547,52 3.305,53 3.556,54 5.194,55 3.431,56 0.071,57 0.692,58 9.052,59 3.97,60 9.569,61 5.169,62 0.121,63 1.07,64 15.417,65 6.879,66 16.611,67 9.214,68 0.18,69 1.316,70 20.994,71 8.536,72 29,73 11.321,74 0.14,75 1.385,76 24.522,77 9.586,78 30.615,79 13.297,80 0.238,81 1.292,82 23.747,83 8.58,84 46.643,85 11.517,86 0.216,87 1.169,88 22.643,89 8.265,90 42.001,91 11.37,92 0.184,93 0.965,94 18.703,95 7.196,96 35.305,97 9.809,98 0.078,99 0.837,100 16.384,101 6.782,102 17.47,103 9.578,104 10,105 42,106 0.245,107 0.577,108 0.724,109 0.846,110 0.873,111 0.873,112 3.339,113 0.878,114 -5.39,115 -5.27,116 -4.92,119 46.8,120 1,121 1,142 11,143 5,144 1,147 1,152 1,158 1,163 1,164 1,165 1,168 1,172 17,175 2,177 1,178 2,180 6,183 22,185 1,188 3,192 1,193 6,195 1,196 17,198 1,200 7,205 9,208 12,210 3,213 6,218 7,221 11,223 3,225 5,230 5,233 13,235 2,238 2,243 3,246 12,248 1,250 3,255 4,258 11,260 1,263 1,268 1,271 8,275 1030,276 18.309,277 18.309,278 18.309,279 18.309,280 18.309,281 15.515,282 16.003,283 10.791,284 18.434,285 14.831,286 14.831,287 14.831,288 14.831,289 14.831,290 10.69,291 20.616,292 5.143,293 15.015,294 4.097,295 2.122,296 1.241,297 0.516,298 0.356,299 0.356,300 4.038,303 1,304 1,305 1,306 675,307 3,310 62.779,311 262.472,314 117.778,318 1.959,319 18.589,321 1,322 0.75,323 1,324 1,325 0.6,327 1,328 1,329 0.76,330 57,331 307,332 4.661,333 3.629,334 6.879,335 4.21,336 3.223,337 4.621,338 1.987,339 11.471,340 3.18,341 4.105,342 3.24,343 5.887,344 3.738,345 2.748,346 3.701,347 0.324,348 8.171,349 2.718,350 4.044,351 2.758,352 5.618,353 3.627,354 2.639,355 3.654,357 7.772,358 2.605,359 3.755,360 2.688,361 5.395,362 3.412,363 2.413,364 3.118,366 7.102,367 2.405,368 3.476,369 2.401,370 4.956,371 3.093,372 2.101,373 2.758,375 5.724,376 2.08,377 3.344,378 2.137,379 4.9,380 2.872,381 1.913,382 2.702,384 5.401,385 1.832,386 3.168,387 1.984,388 4.558,389 2.757,390 1.749,391 2.384,393 4.71,394 1.756,395 2.953,396 1.552,397 4.41,398 2.467,399 1.474,400 2.144,402 4.114,403 1.462,404 2.658,405 1.24,406 3.817,407 2.18,408 1.181,409 1.729,411 2.803,412 1.179,413 2.631,414 1.187,415 3.479,416 2.138,417 1.156,418 1.692,420 2.587,421 1.132,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,429 2.275,430 1,431 2.174,432 0.818,433 3.326,434 1.704,435 0.721,436 1.031,438 1.751,439 0.707,440 1.35,441 0.669,442 2.947,443 1.072,444 0.088,445 0.104,447 0.234,448 0.086,449 1.184,450 0.331,451 2.555,452 0.781,453 -0.222,454 -0.292,456 -0.543,457 -0.221,458 0.889,459 -0.131,460 2.314,461 0.568,462 -0.43,463 -0.531,465 -1.005,466 -0.429,467 12.933,468 0.479,469 0.661,470 0.024,471 39,472 1.444,473 22.5,474 0.833,475 16.5,476 0.611,477 18.489,478 0.685,479 27.267,480 0.58,481 28.168,482 1.043,483 7.893,484 0.292,485 5.204,486 0.193,487 0.095,489 0.348,493 0.798,494 0.916,495 0.795,496 0.828,497 0.742,498 0.805,499 0.536,500 1.077,501 0.795,502 1.005,503 0.542,504 0.945,505 1.106,506 1.087,507 1.099,508 1.096,509 1.124,510 1.1,511 0.861,512 1.139,513 0.937,514 1.093,515 0.744,516 1.034,517 1.495,518 1.036,519 1.131,520 1.029,521 1.538,522 1.039,523 1.251,524 0.937,525 1.032,526 0.954,527 1.317,528 0.967,529 1.2,530 0.909,531 1.127,532 1.005,533 1.395,534 1.057,535 0.496,536 0.952,537 0.762,538 0.987,539 0.558,540 0.925,541 5.5,542 0.11,543 2.667,544 2.16,545 1.208,546 0.847,547 0.451,548 0.277,549 0.195,550 0.192,551 9969,552 24998,553 2.12,554 42.6,555 3,556 11,559 4,560 2,564 1.695,565 2,566 3.444,567 1.624,569 1,574 68.52,575 1.458,576 3.433,577 4.314,578 5.038,579 5.198,580 5.198,581 2.852,582 4.459,583 4.729,584 3.687,585 1294.26,586 8.174,587 17230.3,589 1,591 1,592 261.066,593 1.352,594 4.694,595 0.183,596 0.006,597 0.063,598 0.053,599 0.032,600 0.026,601 0.016,602 0.013,603 0.009,604 0.01,605 0.41,607 1,608 0.528,609 135.876,610 -0.023,611 0.203,612 0.023,613 0.125,614 -0.114,615 0.089,616 0.181,617 -0.036,618 0.06,619 -0.023,620 0.08,621 -0.003,622 -0.119,623 -0.068,624 -0.186,625 -0.126,626 -0.145,627 -0.16,628 0.016,629 -0.171,630 0.032,631 -0.108,632 0.104,633 -0.047,634 -0.191,635 -0.052,636 -0.129,637 -0.067,638 -0.109,639 -0.085,640 -0.117,641 0.012,642 -0.012,643 0.028,644 -0.069,645 0.024,646 -0.166,647 0.017,648 -0.127,649 -0.003,650 -0.204,651 -0.053,652 0.144,653 -0.069,654 0.229,655 0.051,656 0.123,657 0.133,658 1.7,659 5.293,660 0.778,661 25.783,662 0.996,663 1.118,664 4.157,665 17.279,666 0.693,667 3.434,668 3.761,669 4.025,670 4.317,671 4.489,672 4.5,673 4.605,674 4.745,675 4.727,676 4.812,677 7.056,678 0.66,679 356.46,680 3.434,681 4.977,682 5.826,683 6.708,684 7.572,685 8.458,686 9.329,687 10.217,688 11.092,689 11.983,690 8.5,694 1,697 1,698 1,700 1,705 2,706 11,707 1,708 1,711 6,713 22,724 1,732 47,734 23,735 3,736 30,738 50,739 22,740 19,741 7,742 11,745 4,746 5,751 1,757 1,759 20,760 2,763 1,768 1,772 1,775 1,778 20,779 4,780 4,781 5,787 4,792 0.75,793 1,800 1,808 1,809 3,812 1,822 1,835 3,839 1,843 27,844 1,851 1,853 1,867 2.1,870 1,874 13.5,875 8.617,876 5.861,877 2.663,878 4.099,879 1.542,880 1.04,881 4.654,882 11.666,883 3.761,884 4.41,885 5.02,886 5.664,887 6.181,888 6.439,889 6.868,890 7.317,891 7.515,892 7.881,893 1,894 41,895 9.936,897 4.233,898 7.704,899 18.993,901 15.652,903 2.204,904 59.5,907 1,908 188.338,909 142.847,910 84.234,912 25.145,915 142.847,916 213.483,917 84.234,918 8.825,919 20.545,920 137.136,921 46.513,922 34.735,923 4.472,924 188.338,926 188.338,927 227.081,928 25.145,931 188.338,932 25.145,935 46.033,936 164.385,937 16.663,939 188.338,940 109.379,941 142.847,944 188.338,945 29.783,946 113.064,947 34.674,948 74.705,949 188.338,950 109.379,951 142.847,953 0.583,954 0.337,955 0.19,956 0.099,957 21,958 9,959 0.08,960 4,961 1,962 1.095,963 3.984,964 228.412,965 0.095,966 21,967 122.382,973 17.317,974 7.256,975 3.712,976 1.828,977 92.716,978 21.691,979 4.085,980 2.935,983 5.438,985 67.571,986 440.564,987 42,992 12.293,996 -0.033,998 46.803,999 52.524,1000 0.262,1001 0.618,1002 0.777,1003 0.907,1004 0.936,1005 0.936,1006 4.98,1007 1.474,1008 5.808,1009 4.71,1010 4.443,1011 5.097,1012 2.076,1013 6.611,1014 4.419,1015 6.205,1016 1.181,1017 7.357,1018 4.114,1019 4.007,1020 4.902,1021 1.593,1022 7.489,1023 3.973,1024 7.517,1025 1.156,1026 9.004,1027 2.803,1028 6.023,1029 7.352,1030 3.1,1031 10.607,1032 5.976,1033 8.865,1034 1,1035 10.712,1036 2.587,1037 6.399,1038 7.999,1039 3.168,1040 12.381,1041 6.338,1042 10.244,1043 0.721,1044 12.461,1045 2.275,1046 7.888,1047 9.914,1048 4.312,1049 15.027,1050 7.816,1051 11.647,1052 0.088,1053 14.241,1054 1.751,1055 8.658,1056 10.992,1057 4.654,1058 17.194,1059 8.571,1060 13.07,1061 -0.222,1062 16.046,1063 0.234,1064 9.93,1065 12.674,1066 5.601,1067 19.691,1068 9.832,1069 3.223,1070 -0.43,1071 17.872,1072 -0.543,1073 10.896,1074 13.977,1075 6.091,1076 22.022,1077 10.783,1078 2.748,1079 11.471,1080 19.714,1081 -1.005,1082 12.083,1083 15.559,1084 6.927,1085 24.475,1086 11.958,1087 2.639,1088 8.171,1089 21.571,1090 4.621,1091 13.145,1092 16.976,1093 7.5,1094 26.871,1095 13.005,1096 2.413,1097 7.772,1098 23.44,1099 3.701,1100 14.303,1101 18.519,1102 8.273,1103 29.312,1104 14.149,1105 2.101,1106 7.102,1107 25.319,1108 3.654,1109 15.413,1110 19.991,1111 8.894,1112 31.734,1113 15.244,1114 1.913,1115 5.724,1116 27.206,1117 3.118,1118 16.564,1119 21.52,1120 9.631,1121 34.173,1122 16.382,1123 1.749,1124 5.401,1125 29.1,1126 2.758,1127 17.698,1128 23.02,1129 10.279,1130 36.605,1131 17.502,1132 9347,1133 14925,1134 20.285,1135 32.569,1136 45.339,1137 46,1138 46.374,1139 44.799,1140 44.811,1141 62.276,1142 4.622,1143 128.228,1144 44.284,1145 5.527,1146 5.629,1147 6.436,1148 5.224,1149 5.223,1150 7.621,1151 3.497,1152 18.697,1153 5.18,1154 11.776,1155 1.511,1156 1.533,1157 1.546,1158 1.493,1159 1.494,1160 2.076,1161 0.154,1162 4.274,1163 1.476,1164 4.135,1165 4.171,1166 4.103,1167 4.053,1168 7.429,1169 4.06,1170 3.942,1171 3.977,1172 3.881,1173 3.863,1174 5.248,1175 3.862,1176 3.86,1177 3.893,1178 3.797,1179 3.789,1180 4.791,1181 3.787,1182 3.485,1183 3.528,1184 3.416,1185 3.292,1186 4.752,1187 3.315,1188 3.358,1189 3.424,1190 3.267,1191 3.173,1192 4.664,1193 3.189,1194 3.164,1195 3.245,1196 2.993,1197 3.024,1198 4.313,1199 3.004,1200 3.029,1201 3.111,1202 2.912,1203 2.871,1204 3.996,1205 2.876,1206 2.89,1207 2.987,1208 2.736,1209 2.735,1210 3.837,1211 2.715,1212 0.155,1213 0.121,1214 0.229,1215 0.14,1216 0.107,1217 4.661,1218 0.154,1219 3.629,1220 0.066,1221 6.879,1222 0.382,1223 4.21,1224 0.106,1225 3.223,1226 4.621,1227 1.987,1228 11.471,1229 3.18,1230 2.021,1231 2.003,1232 2.102,1233 2.083,1234 1.263,1235 2.09,1236 1.916,1237 1.887,1238 2.037,1239 2.013,1240 1.137,1241 2.021,1242 1.811,1243 1.784,1244 1.925,1245 1.904,1246 1.075,1247 1.913,1248 1.406,1249 1.362,1250 1.592,1251 1.697,1252 0.708,1253 1.649,1254 1.328,1255 1.251,1256 1.517,1257 1.604,1258 0.6,1259 1.587,1260 1.191,1261 1.116,1262 1.466,1263 1.398,1264 0.355,1265 1.441,1266 1.04,1267 0.975,1268 1.249,1269 1.298,1270 0.28,1271 1.295,1272 0.929,1273 0.865,1274 1.181,1275 1.134,1276 0.225,1277 1.156,1278 4.111,1280 5.434,1281 2.398,1282 6.946,1283 4.727,1284 8.547,1285 6.823,1286 10.195,1288 2.002,1292 5.999,1294 0.326,1296 2.938,1305 31.015,1306 68.52,1307 161.349,1308 202.747,1309 236.801,1310 244.311,1311 244.311,1312 39.527,1313 7.567,1314 83.8,1315 83.8,1316 23,1317 12.515,1318 4.585,1319 3.7,1320 40.529,1321 118,1322 99,1323 0.17,1324 191.2,1325 319.87,1326 458.289,1327 21456,1329 18.803,1330 0.696,1331 0.555,1332 18.803,1333 14.991,1334 13.097,1335 0.437,1336 0.293,1337 8.713,1338 12.794,1339 8.462,1340 7.063,1341 13.097,1342 8.784,1343 11.982,1344 0.285,1345 0.158,1346 11.982,1347 6.628,1348 9.814,1349 0.178,1350 0.083,1351 9.814,1352 4.549,1353 8.653,1354 0.117,1355 0.044,1356 8.653,1357 3.254,1358 6.696,1359 0.076,1360 0.024,1361 6.696,1362 2.104,1363 0.273,1364 80.767,1365 0.222,1366 26.316,1367 0.449,1368 144,1369 371.359,1370 152.792,1371 374.627,1372 521.16,1373 350,1374 169,1375 394.186,1376 177.433,1377 405.81,1378 587.32,1379 382,1380 5.1}
{0 CHEMBL1964399,1 1.615,2 12.581,3 3.553,4 12.626,5 118.804,6 7.337,7 0.364,8 4.155,9 4.271,10 3.689,11 3.603,12 5.334,13 3.605,14 4.643,15 4.83,16 4.029,17 3.921,18 5.756,19 3.917,20 4.822,21 4.995,22 4.118,23 4.079,24 6.052,25 4.044,26 5.032,27 5.289,28 4.017,29 4.123,30 6.05,31 4.033,32 4.955,33 5.198,34 4.025,35 4.086,36 5.985,37 4.019,38 4.853,39 5.044,40 4.047,41 4.028,42 6.064,43 3.989,44 4.904,45 5.13,46 3.934,47 3.929,48 6.122,49 3.885,50 4.756,51 4.985,52 3.783,53 3.844,54 5.896,55 3.785,56 0.101,57 0.84,58 12.392,59 4.991,60 15.641,61 6.637,62 0.38,63 1.241,64 22.735,65 7.609,66 35.805,67 10.569,68 0.564,69 1.496,70 26.465,71 8.674,72 62.492,73 12.606,74 0.691,75 1.619,76 36.207,77 10.812,78 71.823,79 16.495,80 0.633,81 1.51,82 33.392,83 10.175,84 62.908,85 15.099,86 0.506,87 1.44,88 28.312,89 8.706,90 59.344,91 12.668,92 0.867,93 1.361,94 32.322,95 8.303,96 98.127,97 12.235,98 0.675,99 1.203,100 27.596,101 7.581,102 77.472,103 11.198,104 76,105 48,106 0.264,107 0.608,108 0.724,109 0.785,110 0.797,111 0.808,112 3.471,113 0.887,114 -2.66,115 -2.68,116 -2.6,119 37.9,120 4,123 1,124 2,127 1,138 2,142 4,144 3,145 1,147 1,150 1,156 2,172 4,174 2,175 7,178 2,180 2,183 5,187 2,188 6,191 2,192 1,193 1,196 4,199 1,200 5,203 4,205 1,212 1,213 5,216 2,218 3,224 2,225 5,228 1,230 6,233 2,237 3,238 3,241 2,242 1,243 3,246 3,249 1,250 4,253 1,254 1,258 3,262 1,263 5,268 4,275 1685,276 20.16,277 20.16,278 20.16,279 20.16,280 20.16,281 18.047,282 31.33,283 11.426,284 20.857,285 16.102,286 16.102,287 16.102,288 16.102,289 16.102,290 12.778,291 51.659,292 5.232,293 17.111,294 4.243,295 2.143,296 1.436,297 1.061,298 0.992,299 0.923,300 4.143,304 1,305 1,306 807,307 4.301,309 83.993,311 222.969,318 2.008,319 35.624,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 68.5,331 390,332 4.687,333 3.623,334 7.079,335 4.329,336 3.356,337 4.23,338 0.86,339 11.75,340 3.281,341 4.282,342 3.299,343 6.928,344 4.197,345 3.22,346 3.922,347 0.86,348 11.24,349 3.122,350 4.274,351 3.207,352 6.168,353 3.861,354 2.915,355 3.667,356 0.6,357 9.146,358 2.754,359 4.068,360 2.86,361 5.672,362 3.604,363 2.683,364 3.299,365 0.6,366 7.946,367 2.468,368 3.605,369 2.544,370 5.32,371 3.223,372 2.283,373 2.918,374 0.4,375 6.838,376 2.139,377 3.314,378 2.202,379 5.003,380 2.828,381 1.898,382 2.582,384 5.617,385 1.758,386 3.175,387 2.181,388 4.955,389 2.682,390 1.745,391 2.245,393 5.216,394 1.629,395 2.919,396 2.094,397 4.693,398 2.521,399 1.609,400 2.057,402 4.304,403 1.461,404 2.883,405 1.755,406 4.36,407 2.355,408 1.415,409 1.931,411 4.109,412 1.322,413 2.631,414 1.437,415 4.257,416 2.112,417 1.174,418 1.664,420 3.25,421 1.096,422 2.223,423 1.222,424 3.5,425 2.097,426 1.151,427 1.203,429 2.614,430 1.084,431 1.93,432 1.084,433 3.119,434 1.613,435 0.718,436 0.845,438 1.34,439 0.636,440 1.535,441 0.935,442 3.058,443 1.221,444 0.367,445 0.401,447 0.53,448 0.311,449 1.491,450 0.835,451 2.882,452 1.083,453 0.201,454 0.253,456 0.494,457 0.176,458 1.239,459 0.281,460 2.766,461 0.914,467 14.333,468 0.462,469 1.038,470 0.033,471 39,472 1.258,473 18.5,474 0.597,475 20.5,476 0.661,477 29.289,478 0.945,479 34.867,480 0.601,481 31.198,482 1.006,483 7.637,484 0.246,485 6.997,486 0.226,487 0.256,488 0.035,489 0.349,493 0.979,494 1.487,495 0.834,496 1.232,497 1.036,498 1.039,499 0.993,500 1.031,501 0.708,502 0.865,503 0.704,504 0.754,505 0.776,506 1.416,507 1.025,508 1.277,509 0.624,510 1.203,511 0.766,512 0.931,513 0.893,514 0.918,515 0.718,516 0.921,517 0.927,518 0.919,519 0.84,520 0.83,521 0.819,522 0.819,523 1.081,524 1.358,525 1.07,526 1.237,527 1.318,528 1.161,529 1.425,530 0.89,531 1.147,532 0.869,533 1.922,534 0.937,535 1.299,536 0.907,537 1.094,538 0.837,539 1.624,540 0.908,541 8.5,542 0.239,543 4,544 2.813,545 1.938,546 1.368,547 0.872,548 0.53,549 0.419,550 0.318,551 12585,552 34626,553 1.949,554 46.6,555 9,556 11,558 1,559 3,561 3,564 1.736,565 1.763,566 3.62,567 0.908,569 1,574 93.664,575 1.615,576 3.715,577 4.422,578 4.797,579 4.866,580 4.935,581 3.071,582 4.607,583 4.927,584 3.812,585 1772.66,586 8.602,587 26046.5,589 1,591 1,592 339.763,593 1.721,594 4.839,595 0.258,596 0.009,597 0.087,598 0.06,599 0.046,600 0.031,601 0.02,602 0.014,603 0.013,604 0.011,605 0.549,606 0.33,607 1,608 1.31,609 162.936,610 -0.103,611 -0.235,612 0.03,613 -0.085,614 -0.173,615 -0.015,616 0.003,617 0.08,618 0.241,619 0.165,620 0.083,621 0.229,622 0.149,623 -0.249,624 -0.104,625 -0.248,626 0.208,627 -0.23,628 0.065,629 0.059,630 0.083,631 0.043,632 0.044,633 0.063,634 -0.003,635 0.065,636 0.141,637 0.151,638 0.028,639 0.17,640 -0.037,641 -0.265,642 -0.113,643 -0.238,644 -0.033,645 -0.2,646 -0.102,647 0.11,648 -0.109,649 0.033,650 -0.186,651 -0.031,652 -0.124,653 0.093,654 -0.081,655 0.103,656 -0.193,657 0.031,658 1.965,659 4.068,660 0.516,661 32.689,662 1.009,663 1.136,664 1.429,665 2.042,666 0.642,667 3.526,668 3.892,669 4.127,670 4.277,671 4.466,672 4.554,673 4.625,674 4.673,675 4.736,676 4.828,677 7.555,678 0.617,679 425.54,680 3.526,681 5.094,682 5.943,683 6.834,684 7.705,685 8.598,686 9.477,687 10.372,688 11.256,689 12.153,690 8.6,698 1,699 2,700 2,706 5,707 2,711 5,713 12,725 1,730 2,732 58,734 15,735 1,736 33,738 60,739 22,740 10,741 3,742 3,743 4,745 3,746 3,751 4,752 1,757 1,759 14,760 8,763 3,771 2,772 4,775 1,778 27,779 9,780 3,781 9,787 5,792 1,793 4,803 1,807 1,809 2,819 2,827 2,833 2,835 3,839 6,843 31,850 2,853 1,854 2,856 1,858 1,867 6.9,869 2,872 2,874 17.583,875 12.283,876 6.806,877 3.193,878 3.6,879 1.478,880 0.891,881 6.75,882 11.129,883 3.761,884 4.369,885 4.916,886 5.407,887 5.91,888 6.179,889 6.549,890 6.934,891 7.326,892 7.676,893 1,894 47,895 11.419,897 4.769,898 7.858,899 21.337,901 16.811,903 2.358,904 73.083,907 1,908 282.506,909 127.003,910 85.153,912 107.366,915 127.003,916 389.873,917 85.153,918 57.067,920 37.905,921 136.222,922 95.873,923 4.227,924 270.735,926 282.506,927 212.156,928 107.366,931 247.193,932 142.68,935 97.829,936 80.756,937 33.571,939 282.506,940 192.519,941 127.003,944 282.506,945 22.984,946 104.019,947 18.011,948 174.509,949 282.506,950 192.519,951 127.003,953 0.594,954 0.349,955 0.165,956 0.088,957 22,958 12,959 0.117,960 7,962 1,963 4.111,964 268.325,966 16,967 144.825,973 22.883,974 9.144,975 5.103,977 192.519,978 8.479,979 8.558,983 2.494,985 103.377,986 602.029,987 42,995 8.879,996 -0.085,998 58.538,999 65.896,1000 0.276,1001 0.634,1002 0.755,1003 0.819,1004 0.831,1005 0.842,1006 5.037,1007 1.609,1008 5.989,1009 5.216,1010 4.575,1011 5.056,1012 1.744,1013 6.853,1014 4.463,1015 6.285,1016 1.415,1017 7.6,1018 4.304,1019 4.443,1020 4.987,1022 8.017,1023 4.318,1024 7.631,1025 1.174,1026 9.318,1027 4.109,1028 6.293,1029 7.26,1030 1.324,1031 11.063,1032 6.108,1033 9.013,1034 1.151,1035 11.097,1036 3.25,1037 6.938,1038 7.938,1040 12.999,1041 6.744,1042 10.424,1043 0.718,1044 12.916,1045 2.614,1046 8.339,1047 9.74,1048 1.034,1049 15.644,1050 8.102,1051 11.855,1052 0.367,1053 14.763,1054 1.34,1055 9.298,1056 10.766,1058 17.876,1059 9.049,1060 13.303,1061 0.201,1062 16.631,1063 0.53,1064 10.548,1065 12.365,1066 0.818,1067 20.392,1068 10.268,1069 3.356,1071 18.515,1072 0.494,1073 11.636,1074 13.571,1076 22.743,1077 11.34,1078 3.22,1079 11.75,1080 20.411,1082 12.835,1083 15.074,1084 0.647,1085 25.215,1086 12.515,1087 2.915,1088 11.24,1089 22.318,1090 4.23,1091 13.978,1092 16.375,1094 27.617,1095 13.639,1096 2.683,1097 9.146,1098 24.232,1099 3.922,1100 15.163,1101 17.832,1102 0.509,1103 30.073,1104 14.802,1105 2.283,1106 7.946,1107 26.152,1108 3.667,1109 16.329,1110 19.187,1112 32.499,1113 15.949,1114 1.898,1115 6.838,1116 28.077,1117 3.299,1118 17.512,1119 20.622,1120 0.397,1121 34.949,1122 17.112,1123 1.745,1124 5.617,1125 30.006,1126 2.918,1127 18.69,1128 22.006,1130 37.387,1131 18.27,1132 12561,1133 21075,1134 20.69,1135 37.222,1136 50.399,1137 51.336,1138 52.591,1139 49.317,1140 49.475,1141 62.432,1142 6.64,1143 148.789,1144 46.476,1145 5.547,1146 5.623,1147 6.633,1148 5.405,1149 5.356,1150 7.23,1151 1.72,1152 19.75,1153 5.281,1154 21.285,1155 1.527,1156 1.556,1157 1.594,1158 1.494,1159 1.499,1160 1.892,1161 0.201,1162 4.509,1163 1.408,1164 4,1165 4.037,1166 3.971,1167 3.866,1168 6.539,1169 3.885,1170 3.912,1171 3.936,1172 3.873,1173 3.805,1174 6.391,1175 3.818,1176 3.789,1177 3.84,1178 3.724,1179 3.655,1180 5.062,1181 3.657,1182 3.695,1183 3.731,1184 3.604,1185 3.555,1186 4.915,1187 3.571,1188 3.284,1189 3.346,1190 3.156,1191 3.034,1192 4.683,1193 3.045,1194 3.247,1195 3.325,1196 3.051,1197 3.019,1198 4.496,1199 3.007,1200 3.23,1201 3.314,1202 3.004,1203 2.95,1204 4.392,1205 2.959,1206 2.988,1207 3.072,1208 2.858,1209 2.77,1210 4.317,1211 2.773,1212 0.142,1213 0.11,1214 0.215,1215 0.131,1216 0.102,1217 4.687,1218 0.128,1219 3.623,1220 0.026,1221 7.079,1222 0.356,1223 4.329,1224 0.099,1225 3.356,1226 4.23,1227 0.86,1228 11.75,1229 3.281,1230 1.899,1231 1.872,1232 2.045,1233 2.057,1234 1.303,1235 2.038,1236 1.871,1237 1.846,1238 1.973,1239 2.006,1240 1.067,1241 2.001,1242 1.761,1243 1.715,1244 1.86,1245 1.919,1246 0.932,1247 1.914,1248 1.638,1249 1.602,1250 1.729,1251 1.811,1252 0.755,1253 1.788,1254 1.256,1255 1.162,1256 1.613,1257 1.524,1258 0.706,1259 1.547,1260 1.214,1261 1.149,1262 1.576,1263 1.516,1264 0.575,1265 1.54,1266 1.191,1267 1.115,1268 1.565,1269 1.499,1270 0.574,1271 1.528,1272 0.946,1273 0.867,1274 1.417,1275 1.239,1276 0.469,1277 1.308,1278 4.205,1280 5.587,1282 7.168,1284 8.827,1286 10.526,1288 11.224,1293 20.1,1296 3.082,1297 10.543,1299 -0.087,1301 -0.102,1305 35.761,1306 93.664,1307 215.443,1308 256.479,1309 278.214,1310 282.214,1311 286.214,1312 71.273,1313 7.529,1314 121.45,1315 121.45,1316 16,1317 12.68,1318 4,1319 3.322,1320 58.318,1321 141,1322 137,1323 0.201,1324 223.232,1325 396.68,1326 536.445,1327 19641,1329 22.759,1330 0.734,1331 0.596,1332 22.759,1333 18.464,1334 14.634,1335 0.443,1336 0.296,1337 9.563,1338 13.886,1339 9.098,1340 7.712,1341 14.634,1342 9.756,1343 13.935,1344 0.29,1345 0.169,1346 13.935,1347 8.111,1348 11.295,1349 0.185,1350 0.082,1351 11.295,1352 4.98,1353 8.206,1354 0.116,1355 0.036,1356 8.206,1357 2.568,1358 6.467,1359 0.075,1360 0.019,1361 6.467,1362 1.667,1363 0.321,1364 93.274,1365 0.22,1366 29.323,1367 0.537,1368 162,1369 514.684,1370 182.122,1371 490.646,1372 668.71,1373 458,1374 190,1375 494.968,1376 211.482,1377 503.332,1378 733.83,1379 467,1380 5.1}
{0 CHEMBL1964413,1 1.816,2 11.172,3 5.071,4 25.718,5 95.845,6 10.283,7 0.656,8 3.873,9 3.977,10 3.672,11 3.376,12 5.212,13 3.441,14 4.431,15 4.56,16 4.202,17 3.766,18 6.472,19 3.842,20 4.52,21 4.673,22 4.065,23 3.855,24 5.949,25 3.884,26 4.707,27 4.909,28 4.091,29 3.778,30 6.178,31 3.843,32 4.614,33 4.83,34 4.037,35 3.585,36 6.124,37 3.699,38 4.495,39 4.667,40 4.199,41 3.439,42 6.811,43 3.591,44 4.3,45 4.525,46 3.702,47 3.307,48 5.877,49 3.377,50 3.937,51 4.09,52 3.556,53 3.258,54 5.533,55 3.303,56 0.42,57 1.147,58 2.859,59 3.604,60 70.086,61 2.963,62 1.486,63 2.331,64 8.595,65 5.949,66 254.956,67 4.748,68 0.92,69 1.877,70 8.403,71 7.09,72 115.877,73 6.745,74 1.554,75 1.996,76 18.287,77 8.044,78 227.826,79 7.556,80 1.607,81 1.806,82 19.883,83 6.7,84 250.269,85 6.025,86 2.158,87 2.483,88 13.837,89 5.578,90 369.685,91 4.263,92 1.156,93 1.155,94 14.633,95 4.716,96 158.817,97 4.551,98 0.573,99 1.107,100 5.657,101 3.977,102 71.128,103 3.888,104 41,105 49,106 0.316,107 0.649,108 0.766,109 0.842,110 0.877,111 0.877,112 3.408,113 0.771,114 -5.6,115 -5.47,116 -5.1,119 45,125 1,132 2,142 6,143 5,145 1,146 1,151 1,152 1,166 2,168 1,172 10,174 1,175 3,180 2,183 10,188 9,193 2,196 5,200 13,205 1,213 9,221 1,224 1,225 3,228 1,233 4,237 2,238 1,241 2,246 8,258 9,263 1,268 1,271 6,275 1284,276 18.632,277 18.632,278 18.632,279 18.632,280 18.632,281 16.317,282 15.723,283 10.473,284 19.293,285 15.822,286 15.822,287 15.822,288 15.822,289 15.822,290 12.24,291 21.746,292 4.998,293 17.048,294 3.506,295 1.594,296 0.925,297 0.488,298 0.288,299 0.288,300 4.095,304 1,305 1,306 700,307 4.123,310 153.472,311 179.477,314 126.658,318 1.696,319 66.349,322 0.75,323 1,324 1,325 0.4,326 0.5,327 1,328 1,329 0.81,330 69.5,331 324,332 4.612,333 4.489,334 7.278,335 4.321,336 3.43,337 4.392,338 3.825,339 12.363,340 3.104,341 4.469,342 4.442,343 7.084,344 4.086,345 3.248,346 4.123,347 3.825,348 11.564,349 2.971,350 4.323,351 3.058,352 6.306,353 4.006,354 3.025,355 3.837,356 0.522,357 9.638,358 2.734,359 4.178,360 2.923,361 6.033,362 3.73,363 2.768,364 3.486,366 8.729,367 2.654,368 3.709,369 2.685,370 5.675,371 3.385,372 2.452,373 3.028,375 7.698,376 2.253,377 3.487,378 2.276,379 5.198,380 3.062,381 2.12,382 2.75,384 6.397,385 1.958,386 3.034,387 1.908,388 4.623,389 2.534,390 1.602,391 2.301,393 4.772,394 1.507,395 2.951,396 1.534,397 4.41,398 2.517,399 1.534,400 2.084,402 4.268,403 1.452,404 2.772,405 1.448,406 4.226,407 2.291,408 1.337,409 1.881,411 3.718,412 1.265,413 2.583,414 1.306,415 4.06,416 2.116,417 1.153,418 1.616,420 3.143,421 1.093,422 2.515,423 1.041,424 3.435,425 1.993,426 1.029,427 1.522,429 2.364,430 0.989,431 2.187,432 0.711,433 3.279,434 1.681,435 0.7,436 1.035,438 1.698,439 0.686,440 1.889,441 0.51,442 3.094,443 1.367,444 0.396,445 0.589,447 0.986,448 0.384,449 1.362,450 0.51,451 3.02,452 1.062,453 0.1,454 0.121,456 0.281,457 0.095,458 0.801,459 0.51,460 2.81,461 0.374,462 -0.608,463 -0.79,465 -1.691,466 -0.592,467 12.714,468 0.438,469 1.149,470 0.04,471 36.75,472 1.267,473 18,474 0.621,475 18.75,476 0.647,477 22.509,478 0.776,479 32.286,480 0.807,481 33.089,482 1.141,483 7.776,484 0.268,485 5.834,486 0.201,487 0.135,488 0.079,489 0.307,490 6,493 0.549,494 0.825,495 0.503,496 0.923,497 0.605,498 0.813,499 0.417,500 0.663,501 0.576,502 0.843,503 0.347,504 0.861,505 0.61,506 0.946,507 0.83,508 1.258,509 0.524,510 1.289,511 1.05,512 1.093,513 1.128,514 1.128,515 0.984,516 1.158,517 1.261,518 1.084,519 1.167,520 0.875,521 1.285,522 0.866,523 0.67,524 0.768,525 0.824,526 0.9,527 0.634,528 0.962,529 1.017,530 0.649,531 1.188,532 0.622,533 1.112,534 0.836,535 0.61,536 0.844,537 0.704,538 1.094,539 0.634,540 1.086,541 9,542 0.235,543 4.222,544 2.292,545 1.809,546 1.642,547 0.592,548 0.509,549 0.288,550 0.302,551 10910,552 48328,553 2.033,554 27.5,556 8,557 1,558 1,559 1,564 1.718,565 1.851,566 3.421,567 -0.2,574 72.645,575 1.816,576 3.728,577 4.396,578 4.834,579 5.034,580 5.034,581 2.867,582 4.392,583 4.832,584 3.643,585 1479.15,586 8.407,587 20026.2,589 1,592 212.877,593 1.768,594 4.749,595 0.281,596 0.01,597 0.086,598 0.051,599 0.042,600 0.041,601 0.014,602 0.018,603 0.011,604 0.011,605 0.567,606 0.5,607 0.88,608 0.904,609 147.418,610 0.002,611 0.031,612 0.014,613 0.031,614 -0.083,615 0.029,616 0.412,617 0.331,618 0.127,619 0.134,620 0.476,621 -0.009,622 -0.012,623 -0.172,624 -0.07,625 -0.291,626 0.038,627 -0.277,628 -0.192,629 -0.247,630 -0.097,631 -0.169,632 -0.142,633 -0.092,634 -0.244,635 -0.156,636 -0.053,637 0.07,638 -0.269,639 0.163,640 0.589,641 0.406,642 0.192,643 0.054,644 0.651,645 -0.13,646 -0.049,647 0.238,648 -0.088,649 0.289,650 -0.162,651 0.175,652 0.115,653 0.02,654 0.113,655 -0.094,656 0.072,657 -0.071,658 6.188,659 5.286,660 0.69,661 27.201,662 1.072,663 1.176,664 4.367,665 19.066,666 0.681,667 3.497,668 3.912,669 4.127,670 4.382,671 4.575,672 4.745,673 4.812,674 4.934,675 4.927,676 5.043,677 6.807,678 0.714,679 411.34,680 3.497,681 5.094,682 5.948,683 6.862,684 7.736,685 8.646,686 9.527,687 10.436,688 11.319,689 12.227,690 12.5,698 2,700 3,705 2,706 8,707 3,708 1,711 5,712 1,713 21,732 40,734 21,735 2,736 32,738 43,739 18,740 15,741 6,742 6,745 4,746 5,751 2,756 2,759 15,760 3,776 6,778 11,779 9,780 1,781 11,787 5,792 0.75,800 1,808 2,809 2,812 1,835 3,841 6,843 29,851 1,858 2,864 1,866 6,874 15.667,875 7.324,876 5.917,877 2.183,878 4.127,879 1.529,880 1.038,881 4.534,882 11.923,883 3.773,884 4.454,885 5.056,886 5.668,887 6.148,888 6.546,889 6.977,890 7.39,891 7.637,892 8.036,893 1,894 45,895 12.27,897 6.864,898 8.713,899 18.877,901 15.722,903 3.213,904 93.167,907 1,908 117.711,909 112.793,910 68.306,913 89.761,915 112.793,916 117.711,917 158.067,919 2.106,920 65.905,921 61.638,922 135.32,923 13.915,924 94.169,925 15.519,926 117.711,927 181.099,928 89.761,931 117.711,932 89.761,935 47.868,936 83.364,937 49.867,939 207.472,940 68.306,941 112.793,944 133.23,945 22.322,946 76.729,947 16.663,948 139.627,949 117.711,950 158.067,951 112.793,953 0.613,954 0.334,955 0.167,956 0.088,957 26,958 12,959 0.07,960 3,961 1,962 1.1,963 3.956,964 261.546,965 0.1,966 20,967 131.372,973 19.322,974 6.805,975 3.931,976 1.625,977 139.627,978 9.884,979 11.648,980 2.794,983 -1.972,984 1.146,985 16.663,986 388.571,987 42.5,998 42.887,999 47.021,1000 0.341,1001 0.7,1002 0.826,1003 0.908,1004 0.946,1005 0.946,1006 5.058,1007 1.534,1008 6.028,1009 4.772,1010 4.595,1011 5.142,1012 3.719,1013 6.929,1014 4.46,1015 6.333,1016 1.337,1017 7.66,1018 4.268,1019 4.575,1020 5.139,1021 4.586,1022 8.247,1023 4.226,1024 7.691,1025 1.153,1026 9.404,1027 3.718,1028 6.368,1029 7.424,1030 6.112,1031 11.228,1032 6.074,1033 9.084,1034 1.029,1035 11.214,1036 3.143,1037 7.091,1038 8.182,1039 7.382,1040 13.286,1041 6.589,1042 10.503,1043 0.7,1044 13.066,1045 2.364,1046 8.468,1047 9.987,1048 8.751,1049 15.901,1050 7.975,1051 11.942,1052 0.396,1053 14.945,1054 1.698,1055 9.473,1056 11.093,1057 10.082,1058 18.221,1059 8.809,1060 13.395,1061 0.1,1062 16.844,1063 0.986,1064 10.72,1065 12.697,1066 11.427,1067 20.737,1068 10.017,1069 3.43,1070 -0.608,1071 18.756,1072 0.281,1073 11.837,1074 13.975,1075 12.767,1076 23.157,1077 10.994,1078 3.248,1079 12.363,1080 20.68,1081 -1.691,1082 13.044,1083 15.491,1084 14.11,1085 25.648,1086 12.133,1087 3.025,1088 11.564,1089 22.613,1090 4.392,1091 14.207,1092 16.854,1093 15.451,1094 28.109,1095 13.176,1096 2.768,1097 9.638,1098 24.552,1099 4.123,1100 15.405,1101 18.331,1102 16.793,1103 30.597,1104 14.289,1105 2.452,1106 8.729,1107 26.498,1108 3.837,1109 16.589,1110 19.739,1111 18.134,1112 33.076,1113 15.363,1114 2.12,1115 7.698,1116 28.447,1117 3.486,1118 17.788,1119 21.201,1120 19.476,1121 35.566,1122 16.469,1123 1.602,1124 6.397,1125 30.401,1126 3.028,1127 18.984,1128 22.632,1129 20.818,1130 38.054,1131 17.559,1132 10410,1133 22152,1134 20.572,1135 27.222,1136 50.953,1137 48.446,1138 49.775,1139 50.314,1140 49.787,1141 65.532,1142 16.344,1143 155.239,1144 46.288,1145 5.412,1146 6.489,1147 6.787,1148 5.347,1149 5.43,1150 7.392,1151 5.335,1152 19.924,1153 5.104,1154 17.091,1155 1.592,1156 1.514,1157 1.555,1158 1.572,1159 1.556,1160 2.048,1161 0.511,1162 4.851,1163 1.447,1164 4.123,1165 4.166,1166 4.088,1167 4.016,1168 8.518,1169 4.027,1170 3.996,1171 4.031,1172 3.967,1173 3.906,1174 8.509,1175 3.912,1176 3.805,1177 3.87,1178 3.781,1179 3.573,1180 7.999,1181 3.615,1182 3.441,1183 3.481,1184 3.48,1185 3.188,1186 7.999,1187 3.225,1188 3.32,1189 3.385,1190 3.272,1191 3.067,1192 7.999,1193 3.111,1194 3.191,1195 3.248,1196 3.163,1197 2.941,1198 7.999,1199 2.969,1200 2.954,1201 3.019,1202 2.838,1203 2.791,1204 5.143,1205 2.8,1206 2.834,1207 2.919,1208 2.714,1209 2.557,1210 5.034,1211 2.586,1212 0.144,1213 0.14,1214 0.227,1215 0.135,1216 0.107,1217 4.612,1218 0.137,1219 4.489,1220 0.12,1221 7.278,1222 0.386,1223 4.321,1224 0.097,1225 3.43,1226 4.392,1227 3.825,1228 12.363,1229 3.104,1230 1.957,1231 1.935,1232 2.036,1233 2.052,1234 1.222,1235 2.044,1236 1.937,1237 1.916,1238 2.015,1239 2.019,1240 1.17,1241 2.019,1242 1.477,1243 1.42,1244 1.617,1245 1.734,1246 0.791,1247 1.694,1248 1.313,1249 1.232,1250 1.465,1251 1.645,1252 0.499,1253 1.595,1254 1.249,1255 1.21,1256 1.354,1257 1.517,1258 0.406,1259 1.415,1260 1.123,1261 1.081,1262 1.206,1263 1.426,1264 0.268,1265 1.374,1266 0.963,1267 0.905,1268 1.112,1269 1.302,1270 0.158,1271 1.223,1272 0.82,1273 0.736,1274 1.039,1275 1.068,1276 0.044,1277 1.083,1278 4.174,1280 5.565,1281 3.045,1282 7.119,1283 5.283,1284 8.747,1285 7.273,1286 10.417,1290 78.232,1294 -0.381,1301 -9.809,1305 28.568,1306 72.645,1307 149.103,1308 175.858,1309 193.367,1310 201.367,1311 201.367,1312 74.38,1313 7.796,1314 59.39,1315 59.39,1316 22,1317 12.748,1318 4.459,1319 3.524,1320 44.81,1321 120,1322 104,1323 0.184,1324 168.673,1325 294.58,1326 403.322,1327 26948,1328 15,1329 20.811,1330 0.718,1331 0.496,1332 15.811,1333 14.383,1334 13.609,1335 0.425,1336 0.257,1337 7.984,1338 12.651,1339 7.954,1340 6.471,1341 11.187,1342 8.221,1343 14.308,1344 0.292,1345 0.129,1346 10.355,1347 6.341,1348 10.545,1349 0.173,1350 0.071,1351 8.824,1352 4.35,1353 8.714,1354 0.11,1355 0.037,1356 7.429,1357 2.939,1358 6.659,1359 0.069,1360 0.02,1361 5.553,1362 1.908,1363 0.29,1364 88.631,1365 0.22,1366 27.511,1367 0.501,1368 162,1369 875.58,1370 204.721,1371 685.096,1372 876.91,1373 630,1374 191,1375 611.558,1376 222.416,1377 578.672,1378 880.52,1379 540,1380 5.1}
{0 CHEMBL1964444,1 1.818,2 9.76,3 3.955,4 15.64,5 85.212,6 9.114,7 0.63,8 3.773,9 3.883,10 3.482,11 3.299,12 5.06,13 3.333,14 4.282,15 4.424,16 3.943,17 3.645,18 6.086,19 3.675,20 4.447,21 4.622,22 3.897,23 3.736,24 5.868,25 3.743,26 4.488,27 4.693,28 3.82,29 3.657,30 5.861,31 3.661,32 4.423,33 4.623,34 3.761,35 3.527,36 5.895,37 3.551,38 4.338,39 4.549,40 3.546,41 3.391,42 5.756,43 3.41,44 4.19,45 4.391,46 3.576,47 3.312,48 5.975,49 3.315,50 4.05,51 4.255,52 3.302,53 3.278,54 5.357,55 3.262,56 0.197,57 0.807,58 4.732,59 3.18,60 29.344,61 3.211,62 0.87,63 1.557,64 10.695,65 5.367,66 136.443,67 5.699,68 0.622,69 1.34,70 13.405,71 5.737,72 66.956,73 6.551,74 0.687,75 1.32,76 16.815,77 6.693,78 87.392,79 7.713,80 0.768,81 1.196,82 16.113,83 5.731,84 88.461,85 6.476,86 0.788,87 1,88 16.079,89 5.153,90 113.154,91 5.273,92 0.861,93 0.86,94 13.739,95 4.594,96 134.417,97 5.744,98 0.526,99 0.84,100 11.582,101 4.314,102 78.781,103 4.559,104 27,105 39,106 0.323,107 0.656,108 0.777,109 0.878,110 0.888,111 0.888,112 3.267,113 0.812,114 -4.22,115 -4.16,116 -3.93,119 44.7,120 1,132 1,142 7,143 2,144 1,145 1,146 2,147 1,159 1,172 7,175 5,178 3,179 1,180 3,183 8,188 3,193 2,196 5,199 1,200 4,203 2,205 6,208 2,213 3,218 4,221 2,224 1,225 5,228 1,230 3,233 2,238 3,243 2,246 3,249 1,250 3,258 5,263 3,271 5,275 862,276 16.212,277 16.212,278 16.212,279 16.212,280 16.212,281 14.06,282 18.603,283 9.425,284 16.677,285 13.356,286 13.356,287 13.356,288 13.356,289 13.356,290 10.102,291 25.872,292 4.504,293 14.194,294 3.43,295 1.557,296 0.873,297 0.303,298 0.25,299 0.25,300 3.944,303 1,304 1,305 1,306 517,307 3.742,311 214.494,315 111.547,318 1.488,319 41.624,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 57.5,331 244,332 4.524,333 4.46,334 7.116,335 4.168,336 3.32,337 4.463,338 3.825,339 11.69,340 3.011,341 4.453,342 3.57,343 6.531,344 4.05,345 3.069,346 3.869,347 1.656,348 10.313,349 2.835,350 3.89,351 3.068,352 5.533,353 3.538,354 2.597,355 3.184,356 0.247,357 7.525,358 2.431,359 3.67,360 2.586,361 5.269,362 3.272,363 2.302,364 3.07,366 6.587,367 2.227,368 3.509,369 2.426,370 4.96,371 3.08,372 2.108,373 2.859,375 5.816,376 2.027,377 3.304,378 2.068,379 4.775,380 2.829,381 1.855,382 2.553,384 5.238,385 1.795,386 2.904,387 1.843,388 4.434,389 2.43,390 1.488,391 2.097,393 4.233,394 1.384,395 2.873,396 1.433,397 4.068,398 2.385,399 1.412,400 1.991,402 3.452,403 1.364,404 2.57,405 1.189,406 3.49,407 2.062,408 1.112,409 1.6,411 2.54,412 1.043,413 2.382,414 1.057,415 3.404,416 1.9,417 0.924,418 1.323,420 2.214,421 0.899,422 1.445,423 0.6,424 2.941,425 1.083,426 0.131,427 0.162,429 0.334,430 0.124,431 1.182,432 0.51,433 2.724,434 0.796,435 -0.178,436 -0.226,438 -0.45,439 -0.171,440 1.005,441 0.51,442 2.472,443 0.568,444 -0.424,445 -0.572,447 -0.998,448 -0.416,449 0.797,450 0.318,451 2.364,452 0.323,453 -0.674,454 -0.951,456 -1.891,457 -0.664,458 0.669,459 -0.048,460 2.277,461 0.212,462 -0.743,463 -1,465 -1.966,466 -0.7,467 11.29,468 0.452,469 0.846,470 0.034,471 35,472 1.4,473 18.5,474 0.74,475 16.5,476 0.66,477 16.614,478 0.665,479 27.11,480 0.713,481 27.773,482 1.111,483 7.224,484 0.289,485 4.601,486 0.184,487 0.15,488 0.044,489 0.31,490 3,493 0.609,494 0.992,495 0.602,496 0.985,497 0.599,498 0.848,499 0.362,500 0.762,501 0.6,502 0.95,503 0.369,504 0.926,505 0.642,506 0.806,507 0.885,508 1.009,509 0.591,510 1.047,511 0.818,512 0.965,513 0.913,514 1.083,515 0.781,516 1.058,517 0.942,518 0.899,519 0.985,520 1.053,521 0.976,522 1.046,523 1.257,524 0.853,525 1.258,526 0.877,527 1.271,528 0.983,529 0.468,530 0.609,531 0.745,532 0.819,533 0.517,534 0.898,535 1.041,536 0.747,537 1.124,538 0.747,539 1.052,540 0.896,541 7,542 0.178,543 2.889,544 1.875,545 1.547,546 0.819,547 0.609,548 0.203,549 0.23,550 0.217,551 7007,552 26816,553 2.005,554 34.2,555 3,556 7,558 1,559 2,564 1.679,565 1.84,566 3.289,567 0.352,569 1,574 69.074,575 1.818,576 3.691,577 4.375,578 4.945,579 4.998,580 4.998,581 2.661,582 3.894,583 4.622,584 3.471,585 1041.29,586 7.981,587 12817.5,589 1,590 1,591 1,592 199.421,593 1.673,594 4.546,595 0.259,596 0.009,597 0.074,598 0.049,599 0.045,600 0.026,601 0.024,602 0.008,603 0.011,604 0.01,605 0.517,606 0.5,607 1,608 0.836,609 121.005,610 -0.065,611 -0.093,612 0.005,613 -0.014,614 -0.106,615 0.023,616 0.474,617 0.262,618 0.176,619 0.024,620 0.435,621 -0.039,622 0.016,623 -0.004,624 -0.075,625 -0.093,626 0.022,627 -0.122,628 -0.032,629 -0.134,630 0.034,631 -0.132,632 -0.018,633 -0.056,634 -0.034,635 -0.053,636 -0.01,637 -0.123,638 -0.054,639 -0.081,640 -0.252,641 0.004,642 -0.236,643 0.036,644 -0.233,645 -0.034,646 0.428,647 0.169,648 0.264,649 0.121,650 0.421,651 0.104,652 -0.198,653 0.096,654 -0.172,655 0.218,656 -0.198,657 0.104,658 5.826,659 5.108,660 0.64,661 19.139,662 1.041,663 1.15,664 2.988,665 8.931,666 0.68,667 3.332,668 3.689,669 3.871,670 4.111,671 4.344,672 4.304,673 4.382,674 4.331,675 4.443,676 4.357,677 6.173,678 0.687,679 346.34,680 3.332,681 4.89,682 5.72,683 6.608,684 7.459,685 8.344,686 9.202,687 10.084,688 10.947,689 11.826,690 10.5,697 2,700 2,705 2,706 8,707 2,711 4,713 17,732 38,734 18,735 1,736 27,738 40,739 17,740 14,741 3,742 3,745 3,746 4,750 1,751 2,756 1,759 15,760 2,763 1,768 1,772 1,775 1,776 3,778 13,779 8,780 2,781 8,787 4,792 0.667,793 1,802 2,809 3,813 1,835 2,839 1,841 3,843 25,853 2,858 1,866 3,867 2.6,870 1,874 13.583,875 7.162,876 5.306,877 2.081,878 3.342,879 1.471,880 1.003,881 4.495,882 10.432,883 3.624,884 4.263,885 4.814,886 5.42,887 5.998,888 6.181,889 6.507,890 6.758,891 7.097,892 6.95,893 1,894 38,895 9.711,897 4.655,898 8.417,899 16.539,901 13.226,903 2.917,904 72.917,908 129.482,909 111.986,910 69.593,912 25.145,913 44.88,915 111.986,916 154.627,917 114.473,918 8.825,919 36.022,920 66.334,921 70.487,922 67.344,923 6.604,924 117.711,925 7.76,926 129.482,927 181.578,928 70.025,931 129.482,932 70.025,935 66.555,936 81.453,937 33.571,939 174.362,940 94.737,941 111.986,944 137.242,945 20.02,946 84.206,947 36.022,948 103.596,949 129.482,950 139.618,951 111.986,953 0.595,954 0.325,955 0.17,956 0.099,957 19,958 9,959 0.05,960 2,961 1,962 1.125,963 3.631,964 202.506,965 0.125,966 16,967 111.342,973 17.032,974 6.598,975 3.998,976 1.426,977 139.618,978 12.021,979 7.597,983 0.221,985 36.022,986 381.086,987 36.5,992 12.108,996 -0.694,998 39.574,999 43.713,1000 0.346,1001 0.703,1002 0.834,1003 0.942,1004 0.952,1005 0.952,1006 4.869,1007 1.412,1008 5.759,1009 4.233,1010 4.369,1011 4.949,1012 3.244,1013 6.597,1014 4.254,1015 6.117,1016 1.112,1017 7.345,1018 3.452,1019 4.205,1020 4.879,1021 3.949,1022 7.758,1023 3.927,1024 7.449,1025 0.924,1026 9.043,1027 2.54,1028 6.047,1029 7.196,1030 5.464,1031 10.748,1032 5.785,1033 8.814,1034 0.131,1035 10.807,1036 2.214,1037 6.635,1038 7.873,1039 6.701,1040 12.704,1041 6.19,1042 10.207,1043 -0.178,1044 12.617,1045 0.334,1046 8.044,1047 9.736,1048 8.065,1049