@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3476 @attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1082440,CHEMBL1087421,CHEMBL1087650,CHEMBL1088633,CHEMBL1092754,CHEMBL1095626,CHEMBL1095627,CHEMBL116070,CHEMBL1173655,CHEMBL119385,CHEMBL1222474,CHEMBL1222565,CHEMBL1222990,CHEMBL1222992,CHEMBL1223203,CHEMBL1223204,CHEMBL1223207,CHEMBL1230020,CHEMBL1230122,CHEMBL1236107,CHEMBL1236126,CHEMBL1240703,CHEMBL1241473,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL129857,CHEMBL129981,CHEMBL130511,CHEMBL130631,CHEMBL130866,CHEMBL131693,CHEMBL132416,CHEMBL132942,CHEMBL133471,CHEMBL133548,CHEMBL1336,CHEMBL133823,CHEMBL133928,CHEMBL133941,CHEMBL134010,CHEMBL1381197,CHEMBL1421,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1642545,CHEMBL1642546,CHEMBL1642549,CHEMBL1681981,CHEMBL1681984,CHEMBL1681985,CHEMBL1681986,CHEMBL1681988,CHEMBL1681990,CHEMBL1682341,CHEMBL1682345,CHEMBL1682346,CHEMBL1682357,CHEMBL1682359,CHEMBL1682360,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1688215,CHEMBL1721885,CHEMBL173050,CHEMBL173484,CHEMBL1738710,CHEMBL1761499,CHEMBL1761500,CHEMBL1761501,CHEMBL1761502,CHEMBL1761503,CHEMBL1761504,CHEMBL1761505,CHEMBL1761506,CHEMBL1761508,CHEMBL1761509,CHEMBL1761510,CHEMBL1761511,CHEMBL1761512,CHEMBL1761513,CHEMBL1761514,CHEMBL1761515,CHEMBL1765740,CHEMBL1765781,CHEMBL1773329,CHEMBL1773334,CHEMBL1789941,CHEMBL180022,CHEMBL185569,CHEMBL189338,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL1923983,CHEMBL196363,CHEMBL1964241,CHEMBL1964307,CHEMBL1964399,CHEMBL1964413,CHEMBL1964687,CHEMBL1965423,CHEMBL1965495,CHEMBL1965507,CHEMBL1965631,CHEMBL1965910,CHEMBL1965988,CHEMBL1966069,CHEMBL1966087,CHEMBL1966514,CHEMBL1966524,CHEMBL1967116,CHEMBL1967302,CHEMBL1967564,CHEMBL1968070,CHEMBL1968245,CHEMBL1968380,CHEMBL1968791,CHEMBL1968850,CHEMBL1969102,CHEMBL1969264,CHEMBL1969523,CHEMBL1969755,CHEMBL1970074,CHEMBL1970083,CHEMBL1970104,CHEMBL1970317,CHEMBL1970522,CHEMBL1970806,CHEMBL1970879,CHEMBL1970903,CHEMBL1970913,CHEMBL1971017,CHEMBL1971029,CHEMBL1971430,CHEMBL1971694,CHEMBL1971801,CHEMBL1971947,CHEMBL1972158,CHEMBL1972250,CHEMBL1972258,CHEMBL1972362,CHEMBL1972584,CHEMBL1972659,CHEMBL1972840,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973395,CHEMBL1973711,CHEMBL1973937,CHEMBL1974457,CHEMBL1974803,CHEMBL1974935,CHEMBL1975233,CHEMBL1975418,CHEMBL1975787,CHEMBL197603,CHEMBL1976090,CHEMBL1976328,CHEMBL1976455,CHEMBL1977041,CHEMBL1977223,CHEMBL1977814,CHEMBL1979554,CHEMBL1979577,CHEMBL1979718,CHEMBL1979883,CHEMBL1979970,CHEMBL1980715,CHEMBL1980802,CHEMBL1980896,CHEMBL1980995,CHEMBL1981045,CHEMBL1982465,CHEMBL1982476,CHEMBL1982506,CHEMBL1983006,CHEMBL1983025,CHEMBL1983945,CHEMBL1983963,CHEMBL1984206,CHEMBL1984432,CHEMBL1984541,CHEMBL1984711,CHEMBL1984842,CHEMBL1985311,CHEMBL1985566,CHEMBL1985580,CHEMBL1986186,CHEMBL1986263,CHEMBL1987054,CHEMBL1987533,CHEMBL1987648,CHEMBL1987679,CHEMBL1987756,CHEMBL1988370,CHEMBL1988437,CHEMBL1989265,CHEMBL1989518,CHEMBL1989856,CHEMBL1990482,CHEMBL1990496,CHEMBL1990583,CHEMBL1990885,CHEMBL1991138,CHEMBL1991180,CHEMBL1991285,CHEMBL1991395,CHEMBL1991434,CHEMBL1991577,CHEMBL1991640,CHEMBL1991728,CHEMBL1991800,CHEMBL1991846,CHEMBL1992242,CHEMBL1992323,CHEMBL1992645,CHEMBL1992732,CHEMBL1992740,CHEMBL1992796,CHEMBL1992922,CHEMBL1992937,CHEMBL1993166,CHEMBL1993722,CHEMBL1993781,CHEMBL1994241,CHEMBL1994321,CHEMBL1994361,CHEMBL1994526,CHEMBL1994538,CHEMBL1995592,CHEMBL1996155,CHEMBL1996390,CHEMBL1996543,CHEMBL1996780,CHEMBL1996817,CHEMBL1996923,CHEMBL1997023,CHEMBL1997025,CHEMBL1997129,CHEMBL1997617,CHEMBL1997623,CHEMBL1997759,CHEMBL1997822,CHEMBL199837,CHEMBL1998545,CHEMBL1998585,CHEMBL1999556,CHEMBL1999749,CHEMBL1999774,CHEMBL199980,CHEMBL1999918,CHEMBL2000071,CHEMBL2000104,CHEMBL200027,CHEMBL2000271,CHEMBL2000345,CHEMBL2000685,CHEMBL200106,CHEMBL2001224,CHEMBL2001239,CHEMBL2001257,CHEMBL2001751,CHEMBL2001923,CHEMBL2001998,CHEMBL200229,CHEMBL2002322,CHEMBL2002323,CHEMBL2002407,CHEMBL2002446,CHEMBL2002702,CHEMBL2002726,CHEMBL2003524,CHEMBL2003657,CHEMBL2003817,CHEMBL2004355,CHEMBL2004438,CHEMBL2004447,CHEMBL200462,CHEMBL2004692,CHEMBL2005548,CHEMBL2005631,CHEMBL2005792,CHEMBL2005886,CHEMBL2005899,CHEMBL2006237,CHEMBL2006493,CHEMBL2006567,CHEMBL2006581,CHEMBL2006778,CHEMBL2006836,CHEMBL2006933,CHEMBL2007044,CHEMBL2007064,CHEMBL2007151,CHEMBL2007592,CHEMBL200832,CHEMBL200946,CHEMBL207012,CHEMBL207028,CHEMBL2070412,CHEMBL2070413,CHEMBL2070416,CHEMBL207071,CHEMBL207400,CHEMBL207940,CHEMBL207987,CHEMBL207995,CHEMBL208637,CHEMBL209534,CHEMBL210032,CHEMBL210618,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL215152,CHEMBL215803,CHEMBL2164410,CHEMBL2164411,CHEMBL2164412,CHEMBL2164413,CHEMBL2164414,CHEMBL2164415,CHEMBL2164416,CHEMBL2164417,CHEMBL2164418,CHEMBL2164419,CHEMBL2164420,CHEMBL2164421,CHEMBL2164422,CHEMBL2164423,CHEMBL2164424,CHEMBL2164425,CHEMBL2164426,CHEMBL2164427,CHEMBL219722,CHEMBL220057,CHEMBL221959,CHEMBL223257,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL226403,CHEMBL226471,CHEMBL230011,CHEMBL230047,CHEMBL230055,CHEMBL230184,CHEMBL230185,CHEMBL230276,CHEMBL230488,CHEMBL230592,CHEMBL230595,CHEMBL230597,CHEMBL230699,CHEMBL230808,CHEMBL230809,CHEMBL230810,CHEMBL2309006,CHEMBL230911,CHEMBL230912,CHEMBL230913,CHEMBL2309609,CHEMBL231013,CHEMBL231036,CHEMBL231037,CHEMBL231108,CHEMBL231126,CHEMBL231129,CHEMBL231210,CHEMBL231211,CHEMBL231512,CHEMBL231521,CHEMBL231530,CHEMBL231614,CHEMBL231623,CHEMBL2333365,CHEMBL24828,CHEMBL248757,CHEMBL248899,CHEMBL249073,CHEMBL249102,CHEMBL249103,CHEMBL249104,CHEMBL249279,CHEMBL249280,CHEMBL249282,CHEMBL249480,CHEMBL249481,CHEMBL249482,CHEMBL249508,CHEMBL249515,CHEMBL249516,CHEMBL249681,CHEMBL249682,CHEMBL249683,CHEMBL249697,CHEMBL249719,CHEMBL249720,CHEMBL249721,CHEMBL249886,CHEMBL249887,CHEMBL249899,CHEMBL249900,CHEMBL249901,CHEMBL249902,CHEMBL249929,CHEMBL250105,CHEMBL250106,CHEMBL250107,CHEMBL250131,CHEMBL250335,CHEMBL250336,CHEMBL250337,CHEMBL250539,CHEMBL251724,CHEMBL253969,CHEMBL254556,CHEMBL254793,CHEMBL255863,CHEMBL256347,CHEMBL256835,CHEMBL257189,CHEMBL257402,CHEMBL257805,CHEMBL259084,CHEMBL259850,CHEMBL259922,CHEMBL260092,CHEMBL260135,CHEMBL261849,CHEMBL268885,CHEMBL271381,CHEMBL274064,CHEMBL275224,CHEMBL281957,CHEMBL288441,CHEMBL296468,CHEMBL296586,CHEMBL300138,CHEMBL302449,CHEMBL306380,CHEMBL309265,CHEMBL309953,CHEMBL310179,CHEMBL310975,CHEMBL311201,CHEMBL311306,CHEMBL312170,CHEMBL312320,CHEMBL312648,CHEMBL312651,CHEMBL312676,CHEMBL312698,CHEMBL31965,CHEMBL326282,CHEMBL334506,CHEMBL334758,CHEMBL335949,CHEMBL336594,CHEMBL336961,CHEMBL337236,CHEMBL338848,CHEMBL340921,CHEMBL341432,CHEMBL360077,CHEMBL363648,CHEMBL368427,CHEMBL370166,CHEMBL371543,CHEMBL371967,CHEMBL372160,CHEMBL372345,CHEMBL372736,CHEMBL373598,CHEMBL373751,CHEMBL375284,CHEMBL377085,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL377928,CHEMBL378627,CHEMBL379218,CHEMBL379835,CHEMBL381041,CHEMBL382752,CHEMBL382945,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL387971,CHEMBL388033,CHEMBL388646,CHEMBL389086,CHEMBL390201,CHEMBL394619,CHEMBL397008,CHEMBL397009,CHEMBL397668,CHEMBL398253,CHEMBL398511,CHEMBL398512,CHEMBL398513,CHEMBL398514,CHEMBL398951,CHEMBL399368,CHEMBL399383,CHEMBL399486,CHEMBL399688,CHEMBL399689,CHEMBL400077,CHEMBL400078,CHEMBL400389,CHEMBL401301,CHEMBL402041,CHEMBL402628,CHEMBL402846,CHEMBL403615,CHEMBL404367,CHEMBL411659,CHEMBL412142,CHEMBL413779,CHEMBL424069,CHEMBL424872,CHEMBL426532,CHEMBL428690,CHEMBL428754,CHEMBL437586,CHEMBL437747,CHEMBL443962,CHEMBL445813,CHEMBL447603,CHEMBL450786,CHEMBL450835,CHEMBL451964,CHEMBL453707,CHEMBL454470,CHEMBL454973,CHEMBL460702,CHEMBL462120,CHEMBL464552,CHEMBL466496,CHEMBL467079,CHEMBL468125,CHEMBL468280,CHEMBL471496,CHEMBL473080,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL477817,CHEMBL481248,CHEMBL482538,CHEMBL482539,CHEMBL482540,CHEMBL482553,CHEMBL482557,CHEMBL482746,CHEMBL482747,CHEMBL482769,CHEMBL482770,CHEMBL482944,CHEMBL482945,CHEMBL482946,CHEMBL483150,CHEMBL483151,CHEMBL483165,CHEMBL483166,CHEMBL483359,CHEMBL483557,CHEMBL483747,CHEMBL483748,CHEMBL484012,CHEMBL484966,CHEMBL484967,CHEMBL484968,CHEMBL485008,CHEMBL485014,CHEMBL485015,CHEMBL485026,CHEMBL485145,CHEMBL485539,CHEMBL485556,CHEMBL491473,CHEMBL492331,CHEMBL492332,CHEMBL492527,CHEMBL493161,CHEMBL493745,CHEMBL493940,CHEMBL493974,CHEMBL494089,CHEMBL494153,CHEMBL494154,CHEMBL494162,CHEMBL501601,CHEMBL504261,CHEMBL504727,CHEMBL504950,CHEMBL505756,CHEMBL505943,CHEMBL507333,CHEMBL507936,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL511410,CHEMBL513909,CHEMBL514499,CHEMBL519028,CHEMBL519113,CHEMBL519360,CHEMBL519693,CHEMBL519965,CHEMBL520308,CHEMBL520316,CHEMBL520473,CHEMBL520655,CHEMBL520954,CHEMBL521130,CHEMBL521643,CHEMBL521679,CHEMBL521851,CHEMBL522011,CHEMBL522014,CHEMBL522331,CHEMBL522892,CHEMBL523002,CHEMBL523189,CHEMBL523435,CHEMBL523692,CHEMBL523823,CHEMBL52387,CHEMBL525191,CHEMBL535,CHEMBL536520,CHEMBL538910,CHEMBL549478,CHEMBL549479,CHEMBL551024,CHEMBL551773,CHEMBL552183,CHEMBL553,CHEMBL554,CHEMBL556806,CHEMBL558491,CHEMBL558752,CHEMBL560708,CHEMBL561447,CHEMBL561708,CHEMBL562370,CHEMBL562720,CHEMBL562971,CHEMBL563554,CHEMBL565076,CHEMBL568922,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576887,CHEMBL576982,CHEMBL576989,CHEMBL578601,CHEMBL583144,CHEMBL590109,CHEMBL592893,CHEMBL597754,CHEMBL599224,CHEMBL599428,CHEMBL601719,CHEMBL606245,CHEMBL608154,CHEMBL78464,CHEMBL78618,CHEMBL78862,CHEMBL78879,CHEMBL78885,CHEMBL78917,CHEMBL79004,CHEMBL80121,CHEMBL80619,CHEMBL80793,CHEMBL80843,CHEMBL81169,CHEMBL81170,CHEMBL81214,CHEMBL81229,CHEMBL81315,CHEMBL81603,CHEMBL81781,CHEMBL81809,CHEMBL81838,CHEMBL82136,CHEMBL82137,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692,CHEMBL97453} @attribute FCFP4_1024b563 numeric @attribute FCFP4_1024b727 numeric @attribute FCFP4_1024b782 numeric @attribute FCFP4_1024b451 numeric @attribute FCFP4_1024b357 numeric @attribute FCFP4_1024b199 numeric @attribute FCFP4_1024b610 numeric @attribute FCFP4_1024b352 numeric @attribute FCFP4_1024b1011 numeric @attribute FCFP4_1024b821 numeric @attribute FCFP4_1024b108 numeric @attribute FCFP4_1024b793 numeric @attribute FCFP4_1024b277 numeric @attribute FCFP4_1024b1017 numeric @attribute FCFP4_1024b456 numeric @attribute FCFP4_1024b627 numeric @attribute FCFP4_1024b761 numeric @attribute FCFP4_1024b674 numeric @attribute FCFP4_1024b986 numeric @attribute FCFP4_1024b40 numeric @attribute FCFP4_1024b225 numeric @attribute FCFP4_1024b668 numeric @attribute FCFP4_1024b258 numeric @attribute FCFP4_1024b139 numeric @attribute FCFP4_1024b198 numeric @attribute FCFP4_1024b555 numeric @attribute FCFP4_1024b213 numeric @attribute FCFP4_1024b495 numeric @attribute FCFP4_1024b853 numeric @attribute FCFP4_1024b239 numeric @attribute FCFP4_1024b59 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_1024b1012 numeric @attribute FCFP4_1024b1013 numeric @attribute FCFP4_1024b1014 numeric @attribute FCFP4_1024b1015 numeric @attribute FCFP4_1024b1016 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 FCFP4_1024b1024 numeric @attribute FCFP4_1024b103 numeric @attribute FCFP4_1024b104 numeric @attribute FCFP4_1024b105 numeric @attribute FCFP4_1024b106 numeric @attribute FCFP4_1024b107 numeric @attribute FCFP4_1024b109 numeric @attribute FCFP4_1024b11 numeric @attribute FCFP4_1024b110 numeric @attribute FCFP4_1024b111 numeric @attribute FCFP4_1024b112 numeric @attribute FCFP4_1024b113 numeric @attribute FCFP4_1024b114 numeric @attribute FCFP4_1024b115 numeric @attribute FCFP4_1024b116 numeric @attribute FCFP4_1024b117 numeric @attribute FCFP4_1024b118 numeric @attribute FCFP4_1024b119 numeric @attribute FCFP4_1024b12 numeric @attribute FCFP4_1024b120 numeric @attribute FCFP4_1024b121 numeric @attribute FCFP4_1024b122 numeric @attribute FCFP4_1024b123 numeric @attribute FCFP4_1024b124 numeric @attribute FCFP4_1024b125 numeric @attribute FCFP4_1024b126 numeric @attribute FCFP4_1024b127 numeric @attribute FCFP4_1024b128 numeric @attribute FCFP4_1024b129 numeric @attribute FCFP4_1024b13 numeric @attribute FCFP4_1024b130 numeric @attribute FCFP4_1024b131 numeric @attribute FCFP4_1024b132 numeric @attribute FCFP4_1024b133 numeric @attribute FCFP4_1024b134 numeric @attribute FCFP4_1024b135 numeric @attribute FCFP4_1024b136 numeric @attribute FCFP4_1024b137 numeric @attribute FCFP4_1024b138 numeric @attribute FCFP4_1024b14 numeric @attribute FCFP4_1024b140 numeric @attribute FCFP4_1024b141 numeric @attribute FCFP4_1024b142 numeric @attribute FCFP4_1024b143 numeric @attribute FCFP4_1024b144 numeric @attribute FCFP4_1024b145 numeric @attribute FCFP4_1024b146 numeric @attribute FCFP4_1024b147 numeric @attribute FCFP4_1024b148 numeric @attribute FCFP4_1024b149 numeric @attribute FCFP4_1024b15 numeric @attribute FCFP4_1024b150 numeric @attribute FCFP4_1024b151 numeric @attribute FCFP4_1024b152 numeric @attribute FCFP4_1024b153 numeric @attribute FCFP4_1024b154 numeric @attribute FCFP4_1024b155 numeric @attribute FCFP4_1024b156 numeric @attribute FCFP4_1024b157 numeric @attribute FCFP4_1024b158 numeric @attribute FCFP4_1024b159 numeric @attribute FCFP4_1024b16 numeric @attribute FCFP4_1024b160 numeric @attribute FCFP4_1024b161 numeric @attribute FCFP4_1024b162 numeric @attribute FCFP4_1024b163 numeric @attribute FCFP4_1024b164 numeric @attribute FCFP4_1024b165 numeric @attribute FCFP4_1024b166 numeric @attribute FCFP4_1024b167 numeric @attribute FCFP4_1024b168 numeric @attribute FCFP4_1024b169 numeric @attribute FCFP4_1024b17 numeric @attribute FCFP4_1024b170 numeric @attribute FCFP4_1024b171 numeric @attribute FCFP4_1024b172 numeric @attribute FCFP4_1024b173 numeric @attribute FCFP4_1024b174 numeric @attribute FCFP4_1024b175 numeric @attribute FCFP4_1024b176 numeric @attribute FCFP4_1024b177 numeric @attribute FCFP4_1024b178 numeric @attribute FCFP4_1024b179 numeric @attribute FCFP4_1024b18 numeric @attribute FCFP4_1024b180 numeric @attribute FCFP4_1024b181 numeric @attribute FCFP4_1024b182 numeric @attribute FCFP4_1024b183 numeric @attribute FCFP4_1024b184 numeric @attribute FCFP4_1024b185 numeric @attribute FCFP4_1024b186 numeric @attribute FCFP4_1024b187 numeric @attribute FCFP4_1024b188 numeric @attribute FCFP4_1024b189 numeric @attribute FCFP4_1024b19 numeric @attribute FCFP4_1024b190 numeric @attribute pXC50 numeric @data {6 1,9 1,24 1,32 1,53 1,78 1,129 1,131 1,132 1,142 1,146 1,155 5.2} {0 CHEMBL101253,24 1,32 1,117 1,131 1,132 1,142 1,155 5.2} {0 CHEMBL103667,4 1,8 1,10 1,16 1,32 1,33 1,64 1,131 1,132 1,142 1,155 5.2} {0 CHEMBL105442,24 1,32 1,131 1,132 1,149 1,155 5} {0 CHEMBL1082440,32 1,33 1,59 1,80 1,131 1,132 1,135 1,142 1,151 1,155 5.4} {0 CHEMBL1087421,3 1,24 1,32 1,35 1,86 1,131 1,132 1,142 1,155 5} {0 CHEMBL1087650,9 1,15 1,32 1,33 1,88 1,118 1,131 1,132 1,142 1,145 1,150 1,155 4.301} {0 CHEMBL1088633,3 1,24 1,32 1,35 1,86 1,131 1,132 1,142 1,155 5} {0 CHEMBL1092754,9 1,13 1,25 1,32 1,44 1,131 1,132 1,142 1,155 7.301} {0 CHEMBL1095626,7 1,32 1,55 1,70 1,109 1,113 1,127 1,131 1,132 1,142 1,148 1,155 4.301} {0 CHEMBL1095627,7 1,32 1,55 1,70 1,113 1,127 1,131 1,132 1,142 1,148 1,155 4.301} {0 CHEMBL116070,24 1,32 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL1173655,24 1,32 1,33 1,64 1,102 1,112 1,131 1,132 1,139 1,142 1,143 1,145 1,155 5} {0 CHEMBL119385,19 1,24 1,32 1,38 1,48 1,118 1,131 1,132 1,155 5.2} {0 CHEMBL1222474,24 1,32 1,33 1,64 1,112 1,118 1,131 1,132 1,142 1,155 5.337} {0 CHEMBL1222565,24 1,32 1,64 1,80 1,112 1,118 1,131 1,132 1,142 1,155 5.658} {0 CHEMBL1222990,32 1,64 1,80 1,112 1,118 1,131 1,132 1,142 1,155 4.398} {0 CHEMBL1222992,24 1,32 1,64 1,80 1,112 1,118 1,131 1,132 1,142 1,155 5.398} {0 CHEMBL1223203,32 1,33 1,64 1,112 1,118 1,131 1,132 1,142 1,143 1,145 1,155 4} {0 CHEMBL1223204,32 1,33 1,64 1,112 1,118 1,131 1,132 1,142 1,155 4} {0 CHEMBL1223207,32 1,33 1,64 1,112 1,118 1,131 1,132 1,142 1,143 1,145 1,155 4} {0 CHEMBL1230020,1 1,2 1,6 1,7 1,24 1,29 1,32 1,64 1,111 1,131 1,132 1,142 1,155 5} {0 CHEMBL1230122,19 1,24 1,32 1,64 1,113 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL1236107,18 1,28 1,32 1,127 1,131 1,132 1,142 1,155 5} {0 CHEMBL1236126,19 1,32 1,64 1,67 1,131 1,132 1,140 1,142 1,155 5.4} {0 CHEMBL1240703,32 1,39 1,72 1,88 1,131 1,132 1,139 1,142 1,155 5} {0 CHEMBL1241473,32 1,50 1,86 1,128 1,131 1,132 1,139 1,140 1,142 1,155 5.5} {0 CHEMBL1241674,6 1,12 1,27 1,32 1,55 1,81 1,102 1,131 1,132 1,142 1,150 1,155 5} {0 CHEMBL124660,18 1,32 1,33 1,64 1,86 1,113 1,131 1,132 1,142 1,155 5.2} {0 CHEMBL1287853,5 1,22 1,32 1,33 1,85 1,128 1,131 1,132 1,142 1,155 6.081} {0 CHEMBL1289926,11 1,32 1,35 1,56 1,78 1,96 1,104 1,126 1,131 1,132 1,142 1,150 1,155 5} {0 CHEMBL129857,19 1,32 1,66 1,86 1,121 1,130 1,131 1,132 1,142 1,155 5.886} {0 CHEMBL129981,26 1,32 1,33 1,48 1,128 1,131 1,132 1,142 1,155 6.07} {0 CHEMBL130511,16 1,26 1,32 1,33 1,48 1,128 1,131 1,132 1,142 1,155 5.68} {0 CHEMBL130631,26 1,32 1,33 1,48 1,128 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL130866,24 1,26 1,32 1,33 1,48 1,128 1,131 1,132 1,142 1,155 5.63} {0 CHEMBL131693,5 1,26 1,32 1,33 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1,25 1,26 1,29 1,30 1,31 1,32 1,64 1,109 1,113 1,131 1,132 1,142 1,155 5.701} {0 CHEMBL249721,21 1,25 1,26 1,29 1,30 1,31 1,32 1,33 1,64 1,109 1,113 1,131 1,132 1,142 1,143 1,145 1,155 5.932} {0 CHEMBL249886,11 1,21 1,22 1,25 1,26 1,29 1,30 1,31 1,32 1,37 1,64 1,109 1,113 1,131 1,132 1,142 1,155 5.9} {0 CHEMBL249887,11 1,21 1,25 1,26 1,29 1,30 1,31 1,32 1,37 1,64 1,109 1,112 1,113 1,131 1,132 1,142 1,155 6.721} {0 CHEMBL249899,5 1,11 1,21 1,29 1,32 1,44 1,64 1,113 1,131 1,132 1,142 1,155 6.377} {0 CHEMBL249900,21 1,29 1,30 1,31 1,32 1,64 1,113 1,131 1,132 1,142 1,155 4.917} {0 CHEMBL249901,21 1,25 1,26 1,29 1,30 1,31 1,32 1,64 1,109 1,113 1,131 1,132 1,142 1,155 6.22} {0 CHEMBL249902,9 1,21 1,25 1,26 1,29 1,30 1,31 1,32 1,64 1,109 1,113 1,131 1,132 1,142 1,155 6.027} {0 CHEMBL249929,21 1,25 1,26 1,29 1,30 1,31 1,32 1,64 1,109 1,112 1,113 1,126 1,131 1,132 1,142 1,155 4.602} {0 CHEMBL250105,6 1,21 1,25 1,29 1,30 1,31 1,32 1,64 1,109 1,113 1,131 1,132 1,142 1,155 5.9} {0 CHEMBL250106,21 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{0 CHEMBL373598,4 1,8 1,10 1,32 1,33 1,64 1,96 1,113 1,131 1,132 1,140 1,142 1,144 1,155 5.2} {0 CHEMBL373751,32 1,33 1,86 1,131 1,132 1,135 1,142 1,155 4.8} {0 CHEMBL375284,4 1,8 1,10 1,13 1,16 1,22 1,32 1,35 1,64 1,81 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL377085,32 1,51 1,55 1,123 1,131 1,132 1,142 1,155 5.553} {0 CHEMBL377300,6 1,32 1,78 1,81 1,93 1,113 1,116 1,131 1,132 1,142 1,155 5} {0 CHEMBL377383,32 1,55 1,113 1,131 1,132 1,142 1,155 5.41} {0 CHEMBL377408,5 1,32 1,33 1,55 1,96 1,113 1,118 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL377928,7 1,32 1,55 1,77 1,126 1,131 1,132 1,142 1,155 4.523} {0 CHEMBL378627,32 1,33 1,55 1,64 1,86 1,96 1,112 1,113 1,118 1,131 1,132 1,142 1,155 5.612} {0 CHEMBL379218,32 1,35 1,78 1,107 1,131 1,132 1,142 1,155 5} {0 CHEMBL379835,24 1,32 1,113 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL381041,32 1,33 1,128 1,131 1,132 1,142 1,155 6.301} {0 CHEMBL382752,32 1,125 1,128 1,131 1,132 1,142 1,155 5.42} {0 CHEMBL382945,32 1,33 1,128 1,131 1,132 1,142 1,155 7.523} {0 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1,155 5.092} {0 CHEMBL492332,11 1,32 1,44 1,64 1,81 1,131 1,142 1,155 5.215} {0 CHEMBL492527,6 1,11 1,32 1,44 1,64 1,81 1,89 1,131 1,140 1,142 1,155 5.959} {0 CHEMBL493161,7 1,24 1,32 1,44 1,64 1,66 1,81 1,131 1,132 1,142 1,155 5.469} {0 CHEMBL493745,11 1,32 1,44 1,64 1,131 1,132 1,142 1,155 6.004} {0 CHEMBL493940,7 1,11 1,32 1,44 1,64 1,66 1,81 1,131 1,132 1,142 1,155 6.569} {0 CHEMBL493974,7 1,11 1,29 1,32 1,37 1,44 1,64 1,66 1,81 1,131 1,132 1,142 1,155 6} {0 CHEMBL494089,31 1,32 1,55 1,66 1,80 1,89 1,96 1,131 1,142 1,155 5} {0 CHEMBL494153,7 1,11 1,24 1,32 1,37 1,44 1,64 1,66 1,70 1,81 1,112 1,131 1,132 1,142 1,155 5.456} {0 CHEMBL494154,7 1,11 1,24 1,29 1,32 1,37 1,44 1,64 1,66 1,81 1,131 1,132 1,142 1,155 5.377} {0 CHEMBL494162,7 1,11 1,32 1,37 1,44 1,64 1,66 1,81 1,130 1,131 1,132 1,133 1,142 1,155 5.854} {0 CHEMBL501601,18 1,32 1,80 1,131 1,132 1,142 1,155 4.6} {0 CHEMBL504261,1 1,2 1,3 1,6 1,7 1,9 1,13 1,32 1,131 1,132 1,142 1,155 6.4} {0 CHEMBL504727,6 1,11 1,32 1,44 1,64 1,81 1,104 1,131 1,140 1,142 1,155 6.076} {0 CHEMBL504950,22 1,32 1,51 1,55 1,81 1,102 1,123 1,131 1,132 1,142 1,155 5.8} {0 CHEMBL505756,18 1,19 1,32 1,131 1,132 1,142 1,155 4.6} {0 CHEMBL505943,11 1,32 1,44 1,64 1,81 1,131 1,142 1,155 5.585} {0 CHEMBL507333,18 1,20 1,27 1,32 1,80 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL507936,4 1,8 1,10 1,16 1,22 1,28 1,32 1,38 1,55 1,64 1,92 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL508928,4 1,8 1,10 1,16 1,22 1,24 1,32 1,55 1,64 1,127 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL50894,6 1,32 1,64 1,81 1,112 1,131 1,132 1,140 1,152 1,155 5.4} {0 CHEMBL509032,8 1,32 1,33 1,86 1,128 1,131 1,132 1,139 1,142 1,144 1,145 1,155 5} {0 CHEMBL511410,19 1,31 1,32 1,43 1,112 1,131 1,132 1,142 1,150 1,155 4.301} {0 CHEMBL513909,19 1,32 1,33 1,47 1,86 1,113 1,128 1,131 1,132 1,142 1,145 1,155 5} {0 CHEMBL514499,32 1,77 1,86 1,131 1,132 1,135 1,142 1,155 5.4} {0 CHEMBL519028,1 1,2 1,3 1,5 1,6 1,7 1,9 1,13 1,32 1,131 1,132 1,142 1,155 6.8} {0 CHEMBL519113,19 1,32 1,43 1,66 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1,24 1,32 1,33 1,35 1,66 1,81 1,113 1,131 1,132 1,142 1,155 5} {0 CHEMBL522011,11 1,32 1,44 1,64 1,66 1,81 1,121 1,131 1,132 1,142 1,155 5.368} {0 CHEMBL522014,7 1,11 1,32 1,37 1,44 1,64 1,66 1,81 1,101 1,131 1,132 1,142 1,155 5} {0 CHEMBL522331,7 1,22 1,24 1,32 1,44 1,55 1,66 1,81 1,131 1,132 1,142 1,155 4.699} {0 CHEMBL522892,6 1,24 1,32 1,33 1,60 1,64 1,81 1,109 1,112 1,131 1,132 1,142 1,145 1,155 5.573} {0 CHEMBL523002,11 1,32 1,44 1,64 1,81 1,131 1,140 1,142 1,155 4.699} {0 CHEMBL523189,24 1,32 1,37 1,44 1,64 1,70 1,112 1,131 1,132 1,142 1,155 5.013} {0 CHEMBL523435,12 1,16 1,28 1,32 1,42 1,86 1,112 1,131 1,132 1,142 1,155 4.301} {0 CHEMBL523692,7 1,24 1,32 1,44 1,64 1,66 1,70 1,81 1,112 1,131 1,132 1,142 1,155 5.301} {0 CHEMBL523823,2 1,32 1,113 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL52387,8 1,32 1,64 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL525191,9 1,32 1,37 1,52 1,131 1,132 1,142 1,155 5} {0 CHEMBL535,6 1,24 1,32 1,33 1,64 1,78 1,81 1,112 1,131 1,132 1,136 1,155 6.284} {0 CHEMBL536520,5 1,11 1,21 1,29 1,32 1,44 1,64 1,113 1,131 1,132 1,142 1,155 6.409} {0 CHEMBL538910,7 1,11 1,24 1,32 1,44 1,64 1,66 1,81 1,131 1,132 1,142 1,155 5.509} {0 CHEMBL549478,1 1,2 1,6 1,11 1,14 1,24 1,32 1,64 1,81 1,131 1,132 1,142 1,155 8.155} {0 CHEMBL549479,1 1,2 1,6 1,11 1,14 1,24 1,32 1,64 1,81 1,131 1,132 1,142 1,155 7.367} {0 CHEMBL551024,1 1,2 1,3 1,4 1,6 1,7 1,8 1,10 1,32 1,64 1,77 1,93 1,107 1,131 1,132 1,142 1,146 1,155 7.495} {0 CHEMBL551773,1 1,2 1,6 1,11 1,14 1,32 1,64 1,81 1,86 1,131 1,132 1,142 1,155 8.097} {0 CHEMBL552183,1 1,2 1,6 1,11 1,14 1,32 1,37 1,64 1,70 1,81 1,112 1,131 1,132 1,142 1,155 7.854} {0 CHEMBL553,18 1,22 1,32 1,39 1,102 1,131 1,132 1,142 1,155 5.2} {0 CHEMBL554,24 1,26 1,32 1,60 1,80 1,102 1,131 1,132 1,133 1,135 1,142 1,155 5.2} {0 CHEMBL556806,1 1,2 1,6 1,11 1,14 1,24 1,32 1,64 1,81 1,131 1,132 1,142 1,155 7.357} {0 CHEMBL558491,1 1,2 1,6 1,11 1,14 1,32 1,33 1,37 1,64 1,81 1,96 1,131 1,132 1,142 1,155 8.155} {0 CHEMBL558752,6 1,32 1,64 1,67 1,77 1,104 1,121 1,131 1,132 1,142 1,155 5} {0 CHEMBL560708,1 1,2 1,6 1,11 1,14 1,32 1,37 1,64 1,81 1,101 1,131 1,132 1,142 1,155 7.409} {0 CHEMBL561447,1 1,2 1,6 1,11 1,14 1,32 1,37 1,64 1,81 1,112 1,131 1,132 1,142 1,155 7.602} {0 CHEMBL561708,7 1,32 1,54 1,64 1,70 1,109 1,113 1,127 1,131 1,132 1,142 1,148 1,155 4.301} {0 CHEMBL562370,1 1,2 1,6 1,11 1,14 1,32 1,37 1,62 1,64 1,81 1,112 1,122 1,131 1,132 1,142 1,155 7.658} {0 CHEMBL562720,1 1,2 1,6 1,11 1,14 1,32 1,37 1,64 1,81 1,131 1,132 1,142 1,155 7.959} {0 CHEMBL562971,1 1,2 1,6 1,11 1,14 1,32 1,37 1,62 1,64 1,81 1,112 1,131 1,132 1,142 1,155 7.921} {0 CHEMBL563554,1 1,2 1,6 1,11 1,14 1,32 1,33 1,37 1,64 1,81 1,112 1,131 1,132 1,142 1,143 1,145 1,155 7.102} {0 CHEMBL565076,1 1,2 1,6 1,11 1,14 1,32 1,64 1,81 1,131 1,132 1,142 1,155 7.398} {0 CHEMBL568922,32 1,51 1,55 1,113 1,131 1,132 1,142 1,155 5.469} {0 CHEMBL572878,9 1,24 1,32 1,33 1,35 1,64 1,78 1,110 1,112 1,113 1,131 1,132 1,142 1,145 1,155 5.2} {0 CHEMBL572881,23 1,32 1,64 1,131 1,132 1,142 1,155 5} {0 CHEMBL573339,1 1,7 1,32 1,51 1,66 1,113 1,131 1,132 1,142 1,150 1,155 5.77} {0 CHEMBL574738,4 1,8 1,9 1,10 1,11 1,22 1,24 1,32 1,33 1,64 1,77 1,93 1,102 1,113 1,131 1,132 1,142 1,155 7.387} {0 CHEMBL576887,32 1,51 1,55 1,113 1,131 1,132 1,142 1,155 4.951} {0 CHEMBL576982,4 1,8 1,10 1,32 1,33 1,64 1,66 1,131 1,132 1,142 1,155 5} {0 CHEMBL576989,32 1,51 1,55 1,113 1,131 1,132 1,142 1,155 4.876} {0 CHEMBL578601,32 1,51 1,55 1,113 1,131 1,132 1,142 1,155 7.046} {0 CHEMBL583144,24 1,32 1,40 1,63 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL590109,22 1,26 1,32 1,35 1,55 1,58 1,125 1,131 1,132 1,142 1,155 6.8} {0 CHEMBL592893,24 1,32 1,33 1,64 1,86 1,113 1,131 1,132 1,142 1,145 1,155 4.854} {0 CHEMBL597754,7 1,11 1,19 1,32 1,33 1,64 1,86 1,99 1,100 1,104 1,131 1,142 1,155 5} {0 CHEMBL599224,7 1,19 1,32 1,64 1,86 1,100 1,131 1,142 1,155 5} {0 CHEMBL599428,7 1,32 1,64 1,86 1,100 1,131 1,132 1,142 1,155 5} {0 CHEMBL601719,23 1,24 1,32 1,55 1,80 1,107 1,127 1,131 1,132 1,142 1,155 5} {0 CHEMBL606245,6 1,11 1,32 1,33 1,71 1,81 1,96 1,101 1,131 1,132 1,139 1,142 1,155 4.456} {0 CHEMBL608154,6 1,32 1,64 1,86 1,96 1,131 1,132 1,142 1,155 6} {0 CHEMBL78464,6 1,86 1,131 1,132 1,142 1,155 6.699} {0 CHEMBL78618,6 1,32 1,77 1,81 1,86 1,92 1,131 1,132 1,142 1,155 5.959} {0 CHEMBL78862,6 1,32 1,64 1,86 1,131 1,132 1,142 1,155 6.155} {0 CHEMBL78879,6 1,32 1,86 1,131 1,132 1,142 1,155 5.745} {0 CHEMBL78885,6 1,32 1,64 1,86 1,131 1,132 1,142 1,155 5.886} {0 CHEMBL78917,6 1,32 1,64 1,86 1,96 1,131 1,132 1,142 1,155 6} {0 CHEMBL79004,6 1,32 1,64 1,86 1,131 1,132 1,142 1,155 7} {0 CHEMBL80121,6 1,32 1,64 1,86 1,112 1,131 1,132 1,142 1,155 6.222} {0 CHEMBL80619,6 1,18 1,32 1,81 1,86 1,131 1,132 1,142 1,155 5.398} {0 CHEMBL80793,6 1,32 1,64 1,86 1,131 1,132 1,142 1,155 4.699} {0 CHEMBL80843,6 1,32 1,64 1,86 1,131 1,132 1,142 1,155 6.523} {0 CHEMBL81169,6 1,24 1,81 1,86 1,131 1,132 1,142 1,155 6.222} {0 CHEMBL81170,6 1,24 1,81 1,86 1,131 1,132 1,142 1,155 5.699} {0 CHEMBL81214,6 1,32 1,33 1,81 1,86 1,92 1,96 1,131 1,132 1,142 1,155 5.959} {0 CHEMBL81229,6 1,32 1,86 1,131 1,132 1,142 1,155 6.854} {0 CHEMBL81315,6 1,8 1,10 1,11 1,32 1,64 1,86 1,131 1,132 1,142 1,155 4.699} {0 CHEMBL81603,6 1,32 1,86 1,131 1,132 1,142 1,155 7.097} {0 CHEMBL81781,6 1,55 1,86 1,131 1,132 1,142 1,155 5.886} {0 CHEMBL81809,6 1,32 1,86 1,131 1,132 1,142 1,148 1,155 5.495} {0 CHEMBL81838,6 1,86 1,131 1,132 1,140 1,142 1,155 5.398} {0 CHEMBL82136,6 1,32 1,64 1,86 1,96 1,112 1,131 1,132 1,142 1,155 5.523} {0 CHEMBL82137,6 1,32 1,64 1,86 1,112 1,123 1,131 1,132 1,140 1,142 1,155 4.699} {0 CHEMBL91829,32 1,33 1,60 1,112 1,131 1,132 1,142 1,143 1,145 1,155 5} {0 CHEMBL939,18 1,24 1,32 1,33 1,86 1,102 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL941,24 1,26 1,32 1,33 1,64 1,128 1,131 1,132 1,139 1,142 1,145 1,155 5.2} {0 CHEMBL95692,24 1,32 1,80 1,131 1,132 1,142 1,155 5.4} {0 CHEMBL97453,7 1,23 1,27 1,32 1,86 1,125 1,131 1,132 1,142 1,144 1,155 5}