@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4525 @attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1084546,CHEMBL1090356,CHEMBL1090360,CHEMBL116070,CHEMBL1164180,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL1242373,CHEMBL124660,CHEMBL127898,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1375418,CHEMBL1375640,CHEMBL1419458,CHEMBL1421,CHEMBL1461728,CHEMBL14762,CHEMBL1516890,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1624529,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682558,CHEMBL1721885,CHEMBL1727312,CHEMBL17370,CHEMBL178737,CHEMBL1789941,CHEMBL180022,CHEMBL1825138,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1929238,CHEMBL1958401,CHEMBL196363,CHEMBL1964290,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964777,CHEMBL1964804,CHEMBL1964937,CHEMBL1965131,CHEMBL1965423,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965660,CHEMBL1965702,CHEMBL1965836,CHEMBL1965845,CHEMBL1966035,CHEMBL1966087,CHEMBL1966204,CHEMBL1966279,CHEMBL1966343,CHEMBL1966425,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1967094,CHEMBL1967302,CHEMBL1967531,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1968127,CHEMBL1968151,CHEMBL1968380,CHEMBL1968406,CHEMBL1968590,CHEMBL1968705,CHEMBL1968791,CHEMBL1968926,CHEMBL1968930,CHEMBL1969042,CHEMBL1969049,CHEMBL1969126,CHEMBL1969151,CHEMBL1969190,CHEMBL1969301,CHEMBL1969372,CHEMBL1969502,CHEMBL1969506,CHEMBL1969537,CHEMBL1969561,CHEMBL1969588,CHEMBL1969664,CHEMBL1969735,CHEMBL1969755,CHEMBL1969843,CHEMBL1969879,CHEMBL1970104,CHEMBL1970142,CHEMBL1970189,CHEMBL1970203,CHEMBL1970217,CHEMBL1970314,CHEMBL1970317,CHEMBL1970340,CHEMBL1970369,CHEMBL1970522,CHEMBL1970709,CHEMBL1970735,CHEMBL1970806,CHEMBL1970903,CHEMBL1970913,CHEMBL1971021,CHEMBL1971141,CHEMBL1971149,CHEMBL1971172,CHEMBL1971186,CHEMBL1971245,CHEMBL1971430,CHEMBL1971649,CHEMBL1971694,CHEMBL1971943,CHEMBL1972119,CHEMBL1972125,CHEMBL1972142,CHEMBL1972158,CHEMBL1972183,CHEMBL1972221,CHEMBL1972258,CHEMBL1972276,CHEMBL1972290,CHEMBL1972339,CHEMBL1972489,CHEMBL1972568,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972795,CHEMBL1972820,CHEMBL1972849,CHEMBL1972937,CHEMBL1972988,CHEMBL1973098,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973483,CHEMBL1973540,CHEMBL1973720,CHEMBL1973808,CHEMBL1973860,CHEMBL1973893,CHEMBL1973937,CHEMBL1973961,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974664,CHEMBL1974702,CHEMBL1974803,CHEMBL1974870,CHEMBL1974935,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975208,CHEMBL1975233,CHEMBL1975256,CHEMBL1975490,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1975900,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976220,CHEMBL1976240,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1976936,CHEMBL1977128,CHEMBL1977135,CHEMBL1977148,CHEMBL1977346,CHEMBL1977374,CHEMBL1977681,CHEMBL1978014,CHEMBL1978099,CHEMBL1978200,CHEMBL1978448,CHEMBL1979057,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979318,CHEMBL1979357,CHEMBL1979516,CHEMBL1979855,CHEMBL1979883,CHEMBL1979933,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980178,CHEMBL1980253,CHEMBL1980297,CHEMBL1980391,CHEMBL1980435,CHEMBL1980489,CHEMBL1980540,CHEMBL1980562,CHEMBL1980704,CHEMBL1980896,CHEMBL1980995,CHEMBL1981079,CHEMBL1981410,CHEMBL1981720,CHEMBL1981725,CHEMBL1981782,CHEMBL1982122,CHEMBL1982135,CHEMBL1982271,CHEMBL1982361,CHEMBL1982383,CHEMBL1982466,CHEMBL1982506,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982711,CHEMBL1982866,CHEMBL1982874,CHEMBL1982924,CHEMBL1982957,CHEMBL1982980,CHEMBL1982992,CHEMBL1983111,CHEMBL1983195,CHEMBL1983268,CHEMBL1983309,CHEMBL1983449,CHEMBL1983534,CHEMBL1983589,CHEMBL1983595,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1984038,CHEMBL1984044,CHEMBL1984162,CHEMBL1984191,CHEMBL1984274,CHEMBL1984363,CHEMBL1984367,CHEMBL1984548,CHEMBL1984586,CHEMBL1984633,CHEMBL1984700,CHEMBL1984788,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985406,CHEMBL1985507,CHEMBL1985723,CHEMBL1986139,CHEMBL1986186,CHEMBL1986263,CHEMBL1986328,CHEMBL1986499,CHEMBL1986530,CHEMBL1986597,CHEMBL1986603,CHEMBL1986666,CHEMBL1986781,CHEMBL1986851,CHEMBL1986855,CHEMBL1986869,CHEMBL1986943,CHEMBL1986970,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987073,CHEMBL1987261,CHEMBL1987359,CHEMBL1987448,CHEMBL1987533,CHEMBL1987679,CHEMBL1987793,CHEMBL1987910,CHEMBL1987948,CHEMBL1988075,CHEMBL1988153,CHEMBL1988163,CHEMBL1988173,CHEMBL1988300,CHEMBL1988387,CHEMBL1988537,CHEMBL1988594,CHEMBL1988608,CHEMBL1988717,CHEMBL1988838,CHEMBL1988995,CHEMBL1989029,CHEMBL1989265,CHEMBL1989474,CHEMBL1989518,CHEMBL1989569,CHEMBL1989646,CHEMBL1989708,CHEMBL1989805,CHEMBL1990162,CHEMBL1990254,CHEMBL1990288,CHEMBL1990415,CHEMBL1990482,CHEMBL1990496,CHEMBL1990821,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991063,CHEMBL1991078,CHEMBL1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@attribute FCFP4_1024b20 numeric @attribute FCFP4_1024b265 numeric @attribute FCFP4_1024b858 numeric @attribute FCFP4_1024b199 numeric @attribute FCFP4_1024b134 numeric @attribute FCFP4_1024b610 numeric @attribute FCFP4_1024b782 numeric @attribute FCFP4_1024b539 numeric @attribute FCFP4_1024b372 numeric @attribute FCFP4_1024b563 numeric @attribute FCFP4_1024b663 numeric @attribute FCFP4_1024b727 numeric @attribute FCFP4_1024b426 numeric @attribute FCFP4_1024b118 numeric @attribute FCFP4_1024b548 numeric @attribute FCFP4_1024b400 numeric @attribute FCFP4_1024b717 numeric @attribute FCFP4_1024b409 numeric @attribute FCFP4_1024b64 numeric @attribute FCFP4_1024b734 numeric @attribute FCFP4_1024b22 numeric @attribute FCFP4_1024b808 numeric @attribute FCFP4_1024b1 numeric @attribute FCFP4_1024b10 numeric @attribute FCFP4_1024b100 numeric @attribute FCFP4_1024b1000 numeric @attribute FCFP4_1024b1001 numeric @attribute FCFP4_1024b1002 numeric @attribute FCFP4_1024b1003 numeric @attribute FCFP4_1024b1004 numeric @attribute FCFP4_1024b1005 numeric @attribute FCFP4_1024b1006 numeric @attribute FCFP4_1024b1007 numeric @attribute FCFP4_1024b1008 numeric @attribute FCFP4_1024b1009 numeric @attribute FCFP4_1024b101 numeric @attribute FCFP4_1024b1010 numeric @attribute FCFP4_1024b1011 numeric @attribute FCFP4_1024b1012 numeric @attribute FCFP4_1024b1013 numeric @attribute FCFP4_1024b1014 numeric @attribute FCFP4_1024b1015 numeric @attribute FCFP4_1024b1016 numeric @attribute FCFP4_1024b1017 numeric @attribute FCFP4_1024b1018 numeric @attribute FCFP4_1024b1019 numeric @attribute FCFP4_1024b102 numeric @attribute FCFP4_1024b1020 numeric @attribute FCFP4_1024b1021 numeric @attribute FCFP4_1024b1022 numeric @attribute FCFP4_1024b1023 numeric @attribute pXC50 numeric @data {1 1,4 1,23 1,38 1,46 1,52 5.2} {0 CHEMBL101253,3 1,23 1,52 5.2} {0 CHEMBL103667,23 1,24 1,52 4.523} {0 CHEMBL105442,23 1,52 5} {0 CHEMBL1084546,3 1,11 1,23 1,52 5.9} {0 CHEMBL1090356,3 1,16 1,19 1,21 1,23 1,52 5.4} {0 CHEMBL1090360,3 1,16 1,19 1,21 1,23 1,52 5.4} {0 CHEMBL116070,2 1,23 1,52 5.9} {0 CHEMBL1164180,2 1,23 1,24 1,52 5.8} {0 CHEMBL1173655,3 1,23 1,24 1,52 5.638} {0 CHEMBL117697,3 1,23 1,52 5.4} {0 CHEMBL1190711,16 1,18 1,23 1,52 5.4} {0 CHEMBL119385,23 1,29 1,40 1,52 5} {0 CHEMBL1230020,1 1,2 1,4 1,6 1,8 1,10 1,12 1,23 1,52 5} {0 CHEMBL1230122,23 1,52 5.4} {0 CHEMBL1236107,18 1,23 1,52 5} {0 CHEMBL1240703,23 1,30 1,52 5} {0 CHEMBL1241674,1 1,4 1,18 1,23 1,48 1,52 5} {0 CHEMBL1242373,18 1,23 1,43 1,48 1,49 1,52 5.4} {0 CHEMBL124660,23 1,24 1,52 5} {0 CHEMBL127898,18 1,23 1,24 1,41 1,52 5.4} {0 CHEMBL1287853,3 1,23 1,24 1,52 6.215} {0 CHEMBL1289926,1 1,11 1,23 1,26 1,49 1,52 5} {0 CHEMBL1336,23 1,52 5} {0 CHEMBL1375418,18 1,23 1,52 5.4} {0 CHEMBL1375640,23 1,48 1,52 6.5} {0 CHEMBL1419458,23 1,46 1,48 1,52 5.4} {0 CHEMBL1421,23 1,24 1,38 1,52 5.2} {0 CHEMBL1461728,1 1,23 1,26 1,51 1,52 5.4} {0 CHEMBL14762,18 1,23 1,52 5} {0 CHEMBL1516890,23 1,52 6.9} {0 CHEMBL1614701,23 1,52 5} {0 CHEMBL1614705,1 1,23 1,26 1,52 5.4} {0 CHEMBL162,23 1,52 7.746} {0 CHEMBL1624529,23 1,33 1,52 5.4} {0 CHEMBL1682540,1 1,9 1,26 1,51 1,52 6} {0 CHEMBL1682545,1 1,3 1,9 1,26 1,51 1,52 6.6} {0 CHEMBL1682546,1 1,9 1,23 1,26 1,42 1,51 1,52 5.9} {0 CHEMBL1682552,1 1,9 1,23 1,26 1,51 1,52 6.1} {0 CHEMBL1682553,1 1,9 1,23 1,26 1,51 1,52 6.8} {0 CHEMBL1682558,1 1,9 1,19 1,23 1,24 1,26 1,51 1,52 5.4} {0 CHEMBL1721885,1 1,2 1,4 1,23 1,24 1,52 7.62} {0 CHEMBL1727312,23 1,52 5.4} {0 CHEMBL17370,1 1,4 1,23 1,38 1,46 1,52 5.4} {0 CHEMBL178737,18 1,23 1,52 5.4} {0 CHEMBL1789941,1 1,2 1,4 1,8 1,10 1,12 1,18 1,23 1,24 1,52 5.208} {0 CHEMBL180022,3 1,22 1,23 1,24 1,52 6.469} {0 CHEMBL1825138,23 1,48 1,52 5.45} {0 CHEMBL183844,23 1,28 1,52 5.4} {0 CHEMBL184847,23 1,52 5.4} {0 CHEMBL185569,23 1,52 5.4} {0 CHEMBL1908391,23 1,24 1,52 5} {0 CHEMBL1908392,1 1,4 1,7 1,23 1,24 1,30 1,52 6.959} {0 CHEMBL1908393,23 1,24 1,52 5} {0 CHEMBL1908394,23 1,24 1,52 5} {0 CHEMBL1908395,1 1,2 1,4 1,23 1,24 1,46 1,52 6.569} {0 CHEMBL1908396,23 1,52 5} {0 CHEMBL1908397,1 1,11 1,23 1,26 1,52 8.538} {0 CHEMBL191003,3 1,23 1,45 1,48 1,52 5.252} {0 CHEMBL1929238,23 1,24 1,28 1,52 4.523} {0 CHEMBL1958401,5 1,23 1,52 5.4} {0 CHEMBL196363,18 1,23 1,43 1,48 1,49 1,52 5.4} {0 CHEMBL1964290,1 1,4 1,23 1,48 1,52 6.7} {0 CHEMBL1964444,23 1,52 5.4} {0 CHEMBL1964644,23 1,52 5.4} {0 CHEMBL1964687,18 1,23 1,43 1,46 1,48 1,49 1,52 5.7} {0 CHEMBL1964692,2 1,23 1,48 1,52 5.4} {0 CHEMBL1964777,2 1,23 1,52 5.4} {0 CHEMBL1964804,9 1,23 1,52 6.7} {0 CHEMBL1964937,1 1,2 1,4 1,6 1,8 1,10 1,12 1,23 1,52 6} {0 CHEMBL1965131,23 1,52 6.6} {0 CHEMBL1965423,16 1,19 1,23 1,48 1,52 5.4} {0 CHEMBL1965507,18 1,23 1,43 1,48 1,52 5.4} {0 CHEMBL1965570,23 1,38 1,48 1,52 5.4} {0 CHEMBL1965589,16 1,18 1,19 1,21 1,23 1,52 5.4} {0 CHEMBL1965660,1 1,4 1,23 1,48 1,52 7.6} {0 CHEMBL1965702,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,10 1,12 1,13 1,22 1,23 1,24 1,52 6.6} {0 CHEMBL1965836,1 1,9 1,11 1,23 1,26 1,52 6.2} {0 CHEMBL1965845,1 1,2 1,4 1,6 1,8 1,10 1,12 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