@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2056 @attribute molecule_id {CHEMBL100454,CHEMBL10085,CHEMBL104,CHEMBL104571,CHEMBL1065,CHEMBL106622,CHEMBL1077189,CHEMBL1082723,CHEMBL1086789,CHEMBL1086790,CHEMBL1087300,CHEMBL1087301,CHEMBL1088073,CHEMBL109684,CHEMBL109787,CHEMBL1098230,CHEMBL109897,CHEMBL110362,CHEMBL1108,CHEMBL1113,CHEMBL111532,CHEMBL1125,CHEMBL113196,CHEMBL113527,CHEMBL113956,CHEMBL114280,CHEMBL114484,CHEMBL115444,CHEMBL1159655,CHEMBL1159663,CHEMBL1160787,CHEMBL1161520,CHEMBL116463,CHEMBL117537,CHEMBL118,CHEMBL1188090,CHEMBL119443,CHEMBL119455,CHEMBL1200633,CHEMBL1201356,CHEMBL1202298,CHEMBL1203924,CHEMBL1204122,CHEMBL1209157,CHEMBL1210154,CHEMBL1224452,CHEMBL1224527,CHEMBL1224528,CHEMBL1235966,CHEMBL1242923,CHEMBL1242950,CHEMBL124444,CHEMBL1255837,CHEMBL1256645,CHEMBL1262,CHEMBL12713,CHEMBL1275709,CHEMBL1275791,CHEMBL1278088,CHEMBL1289,CHEMBL1306,CHEMBL13668,CHEMBL1381098,CHEMBL1385840,CHEMBL1395394,CHEMBL139600,CHEMBL139722,CHEMBL1398,CHEMBL139926,CHEMBL140612,CHEMBL140968,CHEMBL141419,CHEMBL141845,CHEMBL142020,CHEMBL143352,CHEMBL1437,CHEMBL145584,CHEMBL1457510,CHEMBL1467585,CHEMBL1479,CHEMBL150800,CHEMBL1557,CHEMBL157138,CHEMBL15928,CHEMBL1626,CHEMBL1627304,CHEMBL1627305,CHEMBL1627306,CHEMBL1627307,CHEMBL1627308,CHEMBL1627309,CHEMBL1627310,CHEMBL1627311,CHEMBL1627312,CHEMBL1627313,CHEMBL1627314,CHEMBL1627315,CHEMBL1627316,CHEMBL1627317,CHEMBL1627318,CHEMBL1627319,CHEMBL1627320,CHEMBL1627321,CHEMBL1627323,CHEMBL1627324,CHEMBL1628227,CHEMBL1628589,CHEMBL1628675,CHEMBL1632158,CHEMBL1632174,CHEMBL1651219,CHEMBL1672288,CHEMBL1672302,CHEMBL1672303,CHEMBL1672304,CHEMBL1672305,CHEMBL1672306,CHEMBL1672307,CHEMBL1672308,CHEMBL1672309,CHEMBL1672310,CHEMBL1672311,CHEMBL1672312,CHEMBL1672313,CHEMBL1684024,CHEMBL1684028,CHEMBL1684029,CHEMBL1684128,CHEMBL1684129,CHEMBL1684131,CHEMBL1684134,CHEMBL1684135,CHEMBL17157,CHEMBL1729,CHEMBL1732,CHEMBL1744078,CHEMBL1744079,CHEMBL175734,CHEMBL1779058,CHEMBL1779059,CHEMBL1794855,CHEMBL1802231,CHEMBL1802232,CHEMBL1802233,CHEMBL1802234,CHEMBL1802235,CHEMBL1802236,CHEMBL1802237,CHEMBL1806870,CHEMBL1806871,CHEMBL1822918,CHEMBL1822919,CHEMBL1822920,CHEMBL182379,CHEMBL1824785,CHEMBL182721,CHEMBL1831166,CHEMBL18329,CHEMBL183776,CHEMBL184049,CHEMBL184050,CHEMBL184073,CHEMBL184383,CHEMBL184724,CHEMBL184770,CHEMBL185875,CHEMBL186720,CHEMBL187367,CHEMBL187420,CHEMBL18797,CHEMBL189118,CHEMBL1909065,CHEMBL1909072,CHEMBL19215,CHEMBL193435,CHEMBL193639,CHEMBL194206,CHEMBL194837,CHEMBL1949725,CHEMBL1949726,CHEMBL1949727,CHEMBL1949728,CHEMBL1949729,CHEMBL1950491,CHEMBL1950492,CHEMBL195927,CHEMBL196169,CHEMBL196370,CHEMBL196598,CHEMBL197408,CHEMBL197656,CHEMBL197796,CHEMBL198949,CHEMBL199824,CHEMBL199876,CHEMBL200802,CHEMBL201010,CHEMBL201086,CHEMBL201093,CHEMBL201142,CHEMBL201170,CHEMBL201177,CHEMBL201232,CHEMBL201241,CHEMBL201287,CHEMBL201288,CHEMBL201334,CHEMBL201375,CHEMBL201393,CHEMBL201432,CHEMBL201444,CHEMBL201483,CHEMBL201525,CHEMBL201561,CHEMBL201575,CHEMBL201577,CHEMBL201584,CHEMBL201598,CHEMBL201739,CHEMBL201748,CHEMBL201788,CHEMBL201878,CHEMBL201946,CHEMBL202420,CHEMBL202434,CHEMBL2024517,CHEMBL202924,CHEMBL202939,CHEMBL203047,CHEMBL2031737,CHEMBL2032049,CHEMBL203362,CHEMBL203403,CHEMBL203563,CHEMBL203637,CHEMBL203689,CHEMBL203734,CHEMBL204065,CHEMBL204098,CHEMBL204254,CHEMBL204490,CHEMBL2047561,CHEMBL204759,CHEMBL2057438,CHEMBL2057441,CHEMBL2057442,CHEMBL2057443,CHEMBL2057445,CHEMBL2057446,CHEMBL2057451,CHEMBL2057452,CHEMBL2057453,CHEMBL2057454,CHEMBL2057455,CHEMBL2057456,CHEMBL2057457,CHEMBL2062848,CHEMBL2062849,CHEMBL2062850,CHEMBL2062851,CHEMBL2062852,CHEMBL2062853,CHEMBL2062854,CHEMBL2062855,CHEMBL2062856,CHEMBL2062857,CHEMBL2062858,CHEMBL2062859,CHEMBL2062860,CHEMBL2062861,CHEMBL208847,CHEMBL2092940,CHEMBL209805,CHEMBL209876,CHEMBL210016,CHEMBL210461,CHEMBL210514,CHEMBL210567,CHEMBL2113241,CHEMBL2114209,CHEMBL211461,CHEMBL2115213,CHEMBL211910,CHEMBL211915,CHEMBL212077,CHEMBL212186,CHEMBL212334,CHEMBL212383,CHEMBL212384,CHEMBL212402,CHEMBL212438,CHEMBL212486,CHEMBL212597,CHEMBL212608,CHEMBL212700,CHEMBL212807,CHEMBL212844,CHEMBL212896,CHEMBL212905,CHEMBL212912,CHEMBL212936,CHEMBL212950,CHEMBL212966,CHEMBL213083,CHEMBL213084,CHEMBL213110,CHEMBL213145,CHEMBL213193,CHEMBL213200,CHEMBL213201,CHEMBL213238,CHEMBL213239,CHEMBL213278,CHEMBL213335,CHEMBL213336,CHEMBL213372,CHEMBL213388,CHEMBL213424,CHEMBL21343,CHEMBL213443,CHEMBL213444,CHEMBL213466,CHEMBL213472,CHEMBL213477,CHEMBL213492,CHEMBL213577,CHEMBL213668,CHEMBL213775,CHEMBL213793,CHEMBL213795,CHEMBL213834,CHEMBL213881,CHEMBL213882,CHEMBL214016,CHEMBL214142,CHEMBL214407,CHEMBL214503,CHEMBL215140,CHEMBL215414,CHEMBL215581,CHEMBL215611,CHEMBL215641,CHEMBL215669,CHEMBL215842,CHEMBL2158636,CHEMBL2158640,CHEMBL2158641,CHEMBL215885,CHEMBL215950,CHEMBL215997,CHEMBL216047,CHEMBL216258,CHEMBL216439,CHEMBL217299,CHEMBL21731,CHEMBL2180637,CHEMBL2180638,CHEMBL2180639,CHEMBL2180640,CHEMBL2180641,CHEMBL2203622,CHEMBL2204343,CHEMBL2205836,CHEMBL2206441,CHEMBL2206445,CHEMBL225230,CHEMBL226639,CHEMBL229429,CHEMBL231070,CHEMBL231171,CHEMBL231374,CHEMBL2314732,CHEMBL2314733,CHEMBL2323582,CHEMBL2331599,CHEMBL2334880,CHEMBL2334882,CHEMBL2334885,CHEMBL2334886,CHEMBL2334887,CHEMBL2334890,CHEMBL2334891,CHEMBL2334892,CHEMBL2334893,CHEMBL2335736,CHEMBL2335737,CHEMBL2335738,CHEMBL2335739,CHEMBL2335740,CHEMBL2335741,CHEMBL24077,CHEMBL240773,CHEMBL245570,CHEMBL245571,CHEMBL245764,CHEMBL250403,CHEMBL250699,CHEMBL25236,CHEMBL253096,CHEMBL253708,CHEMBL254298,CHEMBL25856,CHEMBL260994,CHEMBL26365,CHEMBL267930,CHEMBL26965,CHEMBL270299,CHEMBL270426,CHEMBL27101,CHEMBL27117,CHEMBL275379,CHEMBL27559,CHEMBL276778,CHEMBL28054,CHEMBL281932,CHEMBL282136,CHEMBL283247,CHEMBL28338,CHEMBL284644,CHEMBL284959,CHEMBL285802,CHEMBL285924,CHEMBL286080,CHEMBL287513,CHEMBL291143,CHEMBL293158,CHEMBL293828,CHEMBL294012,CHEMBL294649,CHEMBL296419,CHEMBL298406,CHEMBL298612,CHEMBL30008,CHEMBL300647,CHEMBL300780,CHEMBL301265,CHEMBL302393,CHEMBL303012,CHEMBL303993,CHEMBL304535,CHEMBL305660,CHEMBL307790,CHEMBL313304,CHEMBL313530,CHEMBL314459,CHEMBL315005,CHEMBL315468,CHEMBL315516,CHEMBL315535,CHEMBL315750,CHEMBL315849,CHEMBL317741,CHEMBL319673,CHEMBL319707,CHEMBL320397,CHEMBL320526,CHEMBL320779,CHEMBL321042,CHEMBL321223,CHEMBL322760,CHEMBL323356,CHEMBL324017,CHEMBL326263,CHEMBL328866,CHEMBL336930,CHEMBL337531,CHEMBL340006,CHEMBL34095,CHEMBL342060,CHEMBL34291,CHEMBL344677,CHEMBL345349,CHEMBL356597,CHEMBL357684,CHEMBL363124,CHEMBL363581,CHEMBL364270,CHEMBL364565,CHEMBL364586,CHEMBL365697,CHEMBL366164,CHEMBL366265,CHEMBL366904,CHEMBL369997,CHEMBL370128,CHEMBL370136,CHEMBL370364,CHEMBL371352,CHEMBL372222,CHEMBL372312,CHEMBL372453,CHEMBL376928,CHEMBL377043,CHEMBL377420,CHEMBL377452,CHEMBL377498,CHEMBL377564,CHEMBL377584,CHEMBL377756,CHEMBL377877,CHEMBL378301,CHEMBL378341,CHEMBL378358,CHEMBL378512,CHEMBL378543,CHEMBL378648,CHEMBL378669,CHEMBL378886,CHEMBL378893,CHEMBL378914,CHEMBL379286,CHEMBL379446,CHEMBL379450,CHEMBL379560,CHEMBL379593,CHEMBL379662,CHEMBL379673,CHEMBL379679,CHEMBL379757,CHEMBL379862,CHEMBL379874,CHEMBL379875,CHEMBL379942,CHEMBL380124,CHEMBL380236,CHEMBL380330,CHEMBL380464,CHEMBL380484,CHEMBL381102,CHEMBL381127,CHEMBL381325,CHEMBL381472,CHEMBL381573,CHEMBL381912,CHEMBL381936,CHEMBL381946,CHEMBL382010,CHEMBL382642,CHEMBL382780,CHEMBL382850,CHEMBL383102,CHEMBL383451,CHEMBL383577,CHEMBL383869,CHEMBL384046,CHEMBL384069,CHEMBL384248,CHEMBL384269,CHEMBL384500,CHEMBL384634,CHEMBL384916,CHEMBL385295,CHEMBL385590,CHEMBL386122,CHEMBL386336,CHEMBL386424,CHEMBL387250,CHEMBL388509,CHEMBL388732,CHEMBL389356,CHEMBL389357,CHEMBL389559,CHEMBL39,CHEMBL390299,CHEMBL394777,CHEMBL394779,CHEMBL396560,CHEMBL396561,CHEMBL396950,CHEMBL397180,CHEMBL397207,CHEMBL402143,CHEMBL403550,CHEMBL404352,CHEMBL405345,CHEMBL405519,CHEMBL405751,CHEMBL409662,CHEMBL411,CHEMBL411663,CHEMBL415,CHEMBL415080,CHEMBL418854,CHEMBL419505,CHEMBL419680,CHEMBL42,CHEMBL420604,CHEMBL420788,CHEMBL420972,CHEMBL423735,CHEMBL424294,CHEMBL425069,CHEMBL426662,CHEMBL426863,CHEMBL426868,CHEMBL427230,CHEMBL431220,CHEMBL431298,CHEMBL432579,CHEMBL434215,CHEMBL435301,CHEMBL435505,CHEMBL436797,CHEMBL437112,CHEMBL437888,CHEMBL437917,CHEMBL440390,CHEMBL440512,CHEMBL441618,CHEMBL442,CHEMBL443567,CHEMBL443843,CHEMBL444321,CHEMBL445,CHEMBL445102,CHEMBL448891,CHEMBL45491,CHEMBL455051,CHEMBL455288,CHEMBL457957,CHEMBL459350,CHEMBL459373,CHEMBL459871,CHEMBL460402,CHEMBL461571,CHEMBL464811,CHEMBL465054,CHEMBL467094,CHEMBL475306,CHEMBL476108,CHEMBL476185,CHEMBL476393,CHEMBL476394,CHEMBL476501,CHEMBL476641,CHEMBL476808,CHEMBL476839,CHEMBL477055,CHEMBL477206,CHEMBL477434,CHEMBL477446,CHEMBL477646,CHEMBL477961,CHEMBL478671,CHEMBL478688,CHEMBL479,CHEMBL479587,CHEMBL482276,CHEMBL482496,CHEMBL483993,CHEMBL484158,CHEMBL484352,CHEMBL484356,CHEMBL484538,CHEMBL485036,CHEMBL485041,CHEMBL485207,CHEMBL487182,CHEMBL487387,CHEMBL490533,CHEMBL490632,CHEMBL493,CHEMBL493276,CHEMBL493278,CHEMBL495129,CHEMBL503958,CHEMBL505308,CHEMBL506214,CHEMBL506721,CHEMBL508112,CHEMBL508399,CHEMBL514382,CHEMBL515187,CHEMBL515342,CHEMBL515472,CHEMBL516,CHEMBL516088,CHEMBL516270,CHEMBL516580,CHEMBL517028,CHEMBL517244,CHEMBL517349,CHEMBL517407,CHEMBL520610,CHEMBL520821,CHEMBL520992,CHEMBL521582,CHEMBL522746,CHEMBL523719,CHEMBL53,CHEMBL531,CHEMBL53294,CHEMBL534,CHEMBL534678,CHEMBL538023,CHEMBL54,CHEMBL540857,CHEMBL541559,CHEMBL542683,CHEMBL542700,CHEMBL543398,CHEMBL543472,CHEMBL543473,CHEMBL543704,CHEMBL544114,CHEMBL544115,CHEMBL544118,CHEMBL544814,CHEMBL545000,CHEMBL550180,CHEMBL550792,CHEMBL552611,CHEMBL553503,CHEMBL554009,CHEMBL555146,CHEMBL557799,CHEMBL558226,CHEMBL560721,CHEMBL562460,CHEMBL562935,CHEMBL564,CHEMBL564909,CHEMBL565946,CHEMBL566508,CHEMBL56666,CHEMBL568030,CHEMBL568031,CHEMBL568246,CHEMBL568251,CHEMBL568459,CHEMBL570836,CHEMBL571061,CHEMBL572708,CHEMBL574558,CHEMBL574595,CHEMBL574627,CHEMBL574700,CHEMBL576458,CHEMBL576617,CHEMBL576756,CHEMBL577050,CHEMBL577266,CHEMBL577267,CHEMBL577473,CHEMBL577540,CHEMBL578122,CHEMBL578571,CHEMBL578800,CHEMBL582945,CHEMBL583467,CHEMBL583672,CHEMBL583890,CHEMBL584208,CHEMBL58422,CHEMBL584554,CHEMBL585740,CHEMBL585741,CHEMBL585742,CHEMBL588,CHEMBL59,CHEMBL591448,CHEMBL591685,CHEMBL593394,CHEMBL593395,CHEMBL593626,CHEMBL593897,CHEMBL594127,CHEMBL594557,CHEMBL594789,CHEMBL594798,CHEMBL594799,CHEMBL595449,CHEMBL595720,CHEMBL59603,CHEMBL596179,CHEMBL596448,CHEMBL596622,CHEMBL596678,CHEMBL596824,CHEMBL596865,CHEMBL596866,CHEMBL596884,CHEMBL596885,CHEMBL596886,CHEMBL597094,CHEMBL597100,CHEMBL59725,CHEMBL597310,CHEMBL597503,CHEMBL597702,CHEMBL597881,CHEMBL597882,CHEMBL597900,CHEMBL597909,CHEMBL598104,CHEMBL598105,CHEMBL598515,CHEMBL598516,CHEMBL598730,CHEMBL598759,CHEMBL598760,CHEMBL598915,CHEMBL598949,CHEMBL599080,CHEMBL599116,CHEMBL599134,CHEMBL599135,CHEMBL599282,CHEMBL599487,CHEMBL599528,CHEMBL599977,CHEMBL600083,CHEMBL600986,CHEMBL600987,CHEMBL600998,CHEMBL601634,CHEMBL601635,CHEMBL602052,CHEMBL602659,CHEMBL603485,CHEMBL603542,CHEMBL603752,CHEMBL603872,CHEMBL603901,CHEMBL604108,CHEMBL604127,CHEMBL604129,CHEMBL604132,CHEMBL604135,CHEMBL604176,CHEMBL604314,CHEMBL604316,CHEMBL604383,CHEMBL604525,CHEMBL604732,CHEMBL605127,CHEMBL605339,CHEMBL605354,CHEMBL606939,CHEMBL607559,CHEMBL608530,CHEMBL608728,CHEMBL609151,CHEMBL609317,CHEMBL609611,CHEMBL610449,CHEMBL611207,CHEMBL611801,CHEMBL611973,CHEMBL612083,CHEMBL62,CHEMBL629,CHEMBL633,CHEMBL63321,CHEMBL64117,CHEMBL643,CHEMBL6437,CHEMBL64894,CHEMBL65397,CHEMBL679,CHEMBL69733,CHEMBL7002,CHEMBL708,CHEMBL71,CHEMBL715,CHEMBL716,CHEMBL71600,CHEMBL723,CHEMBL726,CHEMBL728,CHEMBL808,CHEMBL81,CHEMBL82899,CHEMBL83,CHEMBL83080,CHEMBL84557,CHEMBL84983,CHEMBL85,CHEMBL85409,CHEMBL85552,CHEMBL85689,CHEMBL86325,CHEMBL86576,CHEMBL86669,CHEMBL86931,CHEMBL87172,CHEMBL87734,CHEMBL87897,CHEMBL87910,CHEMBL87958,CHEMBL908,CHEMBL91,CHEMBL92649,CHEMBL964,CHEMBL99361} @attribute nR11 numeric @attribute nCb. numeric @attribute NaasC numeric @attribute GATS5m numeric @attribute nR07 numeric @attribute C.026 numeric @attribute RBF numeric @attribute D.Dtr05 numeric @attribute Yindex numeric @attribute nR05 numeric @attribute NNRS numeric @attribute SRW05 numeric @attribute MSD numeric @attribute GATS8m numeric @attribute HVcpx numeric @attribute SM08_EA.bo. numeric @attribute P_VSA_s_6 numeric @attribute IDE numeric @attribute RBN numeric @attribute SM07_EA.bo. numeric @attribute Eta_B_A numeric @attribute JGI9 numeric @attribute SRW07 numeric @attribute SM05_EA.bo. numeric @attribute GATS5e numeric @attribute nArOH numeric @attribute nN.N numeric @attribute SM06_EA.bo. numeric @attribute SpDiam_EA.bo. numeric @attribute Eig01_EA.bo. numeric @attribute SM11_AEA.ri. numeric @attribute SpMax_EA.bo. numeric @attribute GATS5v numeric @attribute Eig01_EA.ri. numeric @attribute SpDiam_EA.ri. numeric @attribute SpMax_EA.ri. numeric @attribute nN.C.N. numeric @attribute CATS2D_03_DL numeric @attribute O.057 numeric @attribute SRW09 numeric @attribute RFD numeric @attribute ATSC7e numeric @attribute Eta_sh_y numeric @attribute nR06 numeric @attribute PCD numeric @attribute D.Dtr09 numeric @attribute GGI1 numeric @attribute GATS4m numeric @attribute RCI numeric @attribute P_VSA_LogP_8 numeric @attribute D.Dtr11 numeric @attribute CATS2D_01_DA numeric @attribute NdsN numeric @attribute Eig02_EA.bo. numeric @attribute SM12_AEA.ri. numeric @attribute P_VSA_e_4 numeric @attribute Cl.089 numeric @attribute nCL numeric @attribute NsCl numeric @attribute GATS1m numeric @attribute Eta_B numeric @attribute DECC numeric @attribute SM15_EA.bo. numeric @attribute nArX numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_06_DL numeric @attribute SM14_EA.bo. numeric @attribute MATS3i numeric @attribute P_VSA_MR_7 numeric @attribute JGI1 numeric @attribute GATS3m numeric @attribute CATS2D_07_DL numeric @attribute MATS5e numeric @attribute MATS5p numeric @attribute GATS4s numeric @attribute GGI6 numeric @attribute Mv numeric @attribute SpMax4_Bh.s. numeric @attribute GATS2p numeric @attribute nR09 numeric @attribute P_VSA_LogP_4 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute Vindex numeric @attribute X5A numeric @attribute Eig01_EA.ed. numeric @attribute SM10_AEA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute nPyrrolidines numeric @attribute P_VSA_m_4 numeric @attribute MATS5i numeric @attribute SM10_EA.bo. numeric @attribute ATSC7s numeric @attribute N.071 numeric @attribute ICR numeric @attribute SpDiam_EA.ed. numeric @attribute SM13_EA.bo. numeric @attribute nArNR2 numeric @attribute Eig01_AEA.ri. numeric @attribute SpMax_AEA.ri. numeric @attribute D.Dtr07 numeric @attribute SpMin6_Bh.s. numeric @attribute GATS5s numeric @attribute C.005 numeric @attribute N.074 numeric @attribute MATS1s numeric @attribute SM12_EA.bo. numeric @attribute X4A numeric @attribute PCR numeric @attribute SpMin5_Bh.v. numeric @attribute SM03_EA.bo. numeric @attribute ATS3m numeric @attribute PW5 numeric @attribute SM09_EA.bo. numeric @attribute P_VSA_LogP_6 numeric @attribute Eig02_EA.dm. numeric @attribute SM08_EA.dm. numeric @attribute ATSC8e numeric @attribute AECC numeric @attribute MATS1m numeric @attribute C.006 numeric @attribute Chi0_EA.dm. numeric @attribute IVDE numeric @attribute SdsN numeric @attribute Eig01_AEA.ed. numeric @attribute SpMax_AEA.ed. numeric @attribute Eta_F_A numeric @attribute JGT numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMin1_Bh.p. numeric @attribute ATSC3s numeric @attribute SM11_EA.bo. numeric @attribute Rperim numeric @attribute AAC numeric @attribute IC0 numeric @attribute X3A numeric @attribute JGI8 numeric @attribute SM06_EA.dm. numeric @attribute Eta_epsi_A numeric @attribute Eig06_AEA.dm. numeric @attribute SM13_EA.dm. numeric @attribute SM15_EA.dm. numeric @attribute GATS5p numeric @attribute ZM2MulPer numeric @attribute nHM numeric @attribute SM14_EA.ed. numeric @attribute PW2 numeric @attribute C. numeric @attribute SpMin5_Bh.i. numeric @attribute SRW10 numeric @attribute Eta_beta_A numeric @attribute Eig06_AEA.ed. numeric @attribute SpMax3_Bh.s. numeric @attribute C.034 numeric @attribute X. numeric @attribute Eta_sh_p numeric @attribute GATS4v numeric @attribute SM13_EA.ed. numeric @attribute SM06_EA numeric @attribute piPC04 numeric @attribute SPI numeric @attribute nX numeric @attribute ATS8m numeric @attribute SM05_AEA.ed. numeric @attribute GGI4 numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_06_LL numeric @attribute SM04_AEA.ed. numeric @attribute SssCH2 numeric @attribute ZM1Kup numeric @attribute piPC06 numeric @attribute SM08_AEA.bo. numeric @attribute GATS3i numeric @attribute Eig01_AEA.bo. numeric @attribute SpMax_AEA.bo. numeric @attribute SsCH3 numeric @attribute SM04_EA.bo. numeric @attribute ZM1Per numeric @attribute CIC1 numeric @attribute Eta_L_A numeric @attribute SpMAD_AEA.ed. numeric @attribute SM11_EA.dm. numeric @attribute AMW numeric @attribute nAB numeric @attribute SsssCH numeric @attribute D.Dtr10 numeric @attribute Mp numeric @attribute piID numeric @attribute nHet numeric @attribute MWC09 numeric @attribute Eta_betaP numeric @attribute SpMax8_Bh.s. numeric @attribute MWC10 numeric @attribute TWC numeric @attribute SM05_EA numeric @attribute GATS4e numeric @attribute Qindex numeric @attribute SM04_EA numeric @attribute GGI7 numeric @attribute SaasC numeric @attribute X1Per numeric @attribute Eig05_AEA.dm. numeric @attribute nCIR numeric @attribute X1MulPer numeric @attribute SM12_EA.ed. numeric @attribute MWC08 numeric @attribute SM02_AEA.ed. numeric @attribute Me numeric @attribute Hy numeric @attribute GATS2v numeric @attribute Eig07_AEA.dm. numeric @attribute SpMax7_Bh.s. numeric @attribute TPSA.Tot. numeric @attribute MWC06 numeric @attribute GATS8s numeric @attribute GATS1v numeric @attribute Eig06_EA.ed. numeric @attribute SM15_AEA.dm. numeric @attribute Xindex numeric @attribute piPC09 numeric @attribute Eig01_EA numeric @attribute SM09_AEA.bo. numeric @attribute SpDiam_EA numeric @attribute SpMax_EA numeric @attribute SM15_EA.ri. numeric @attribute SpMax1_Bh.e. numeric @attribute SpMin4_Bh.e. numeric @attribute Eig02_AEA.ed. numeric @attribute GGI2 numeric @attribute CATS2D_03_LL numeric @attribute MATS5s numeric @attribute MPC03 numeric @attribute SRW06 numeric @attribute SpDiam_EA.dm. numeric @attribute SM08_EA numeric @attribute ATS3v numeric @attribute piPC05 numeric @attribute SM07_AEA.bo. numeric @attribute CATS2D_05_LL numeric @attribute MATS2v numeric @attribute Eig02_EA.ed. numeric @attribute SM11_AEA.dm. numeric @attribute X4sol numeric @attribute Eig07_AEA.ed. numeric @attribute MATS2i numeric @attribute SAdon numeric @attribute IC1 numeric @attribute SpMax1_Bh.i. numeric @attribute MATS5m numeric @attribute MWC05 numeric @attribute MWC07 numeric @attribute SM10_EA.dm. numeric @attribute SM12_EA.dm. numeric @attribute SM14_EA.dm. numeric @attribute Rbrid numeric @attribute GGI5 numeric @attribute GGI8 numeric @attribute ATS4v numeric @attribute JGI3 numeric @attribute UNIP numeric @attribute Eta_betaP_A numeric @attribute SpMax2_Bh.i. numeric @attribute X2A numeric @attribute SM11_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SsssN numeric @attribute SpMin1_Bh.i. numeric @attribute NssCH2 numeric @attribute SM06_AEA.bo. numeric @attribute SpMAD_AEA.ri. numeric @attribute Chi1_EA.dm. numeric @attribute GATS2s numeric @attribute SM03_EA numeric @attribute ATSC6s numeric @attribute C.025 numeric @attribute P_VSA_p_1 numeric @attribute SpMAD_EA numeric @attribute SpMin8_Bh.s. numeric @attribute GATS2m numeric @attribute SM04_EA.ed. numeric @attribute JGI2 numeric @attribute MATS2p numeric @attribute ATSC1s numeric @attribute SsCl numeric @attribute SM07_EA.dm. numeric @attribute SM05_EA.dm. numeric @attribute ATSC7m numeric @attribute SM06_AEA.ed. numeric @attribute P_VSA_p_2 numeric @attribute Eig12_EA.bo. numeric @attribute JGI4 numeric @attribute SpMin4_Bh.i. numeric @attribute MCD numeric @attribute H.053 numeric @attribute Eig10_AEA.ed. numeric @attribute SpMin5_Bh.s. numeric @attribute SM03_EA.ed. numeric @attribute Eig04_EA.ed. numeric @attribute SM13_AEA.dm. numeric @attribute MWC04 numeric @attribute SpMin2_Bh.i. numeric @attribute ATSC6e numeric @attribute RDSQ numeric @attribute SpMax5_Bh.p. numeric @attribute SM09_EA.dm. numeric @attribute SM04_AEA.bo. numeric @attribute ATS6m numeric @attribute JGI5 numeric @attribute Eig12_EA.ri. numeric @attribute SdssC numeric @attribute S2K numeric @attribute GATS3e numeric @attribute piPC03 numeric @attribute X0 numeric @attribute Eig04_AEA.ed. numeric @attribute ATS2p numeric @attribute Psi_i_t numeric @attribute MATS5v numeric @attribute Eig12_EA numeric @attribute SM06_AEA.dm. numeric @attribute SpDiam_AEA.bo. numeric @attribute Eig06_EA numeric @attribute SM14_AEA.bo. numeric @attribute ATS7v numeric @attribute TRS numeric @attribute SM04_EA.dm. numeric @attribute PW4 numeric @attribute NaaaC numeric @attribute SpMin1_Bh.s. numeric @attribute ON1V numeric @attribute Eig05_AEA.bo. numeric @attribute CATS2D_03_AA numeric @attribute X1v numeric @attribute MPC05 numeric @attribute SM07_EA numeric @attribute Psi_e_A numeric @attribute Psi_i_A numeric @attribute VAR numeric @attribute SpMax7_Bh.e. numeric @attribute SM03_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMax4_Bh.v. numeric @attribute SAacc numeric @attribute Eig04_EA.ri. numeric @attribute GATS8e numeric @attribute SpMin4_Bh.m. numeric @attribute SpDiam_AEA.ri. numeric @attribute ATS5v numeric @attribute ATS5m numeric @attribute GATS2e numeric @attribute Eig14_AEA.bo. numeric @attribute Xu numeric @attribute TIE numeric @attribute Eig06_AEA.ri. numeric @attribute ATS5p numeric @attribute SpMax1_Bh.v. numeric @attribute Eig03_EA numeric @attribute SM11_AEA.bo. numeric @attribute GMTI numeric @attribute SMTI numeric @attribute piPC02 numeric @attribute SM02_EA.bo. numeric @attribute X5Av numeric @attribute SIC0 numeric @attribute CATS2D_06_AL numeric @attribute DELS numeric @attribute ATSC3e numeric @attribute CIC0 numeric @attribute nCIC numeric @attribute JGI7 numeric @attribute BAC numeric @attribute SM05_AEA.bo. numeric @attribute GATS2i numeric @attribute P_VSA_v_2 numeric @attribute ZM2Mad numeric @attribute P_VSA_LogP_2 numeric @attribute Eig15_EA.ri. numeric @attribute Eig03_EA.bo. numeric @attribute SM13_AEA.ri. numeric @attribute SpMax7_Bh.i. numeric @attribute SpAD_EA.dm. numeric @attribute AMR numeric @attribute Eig05_AEA.ed. numeric @attribute Eig05_EA numeric @attribute SM13_AEA.bo. numeric @attribute CATS2D_05_AL numeric @attribute N.068 numeric @attribute TIC3 numeric @attribute nPyrroles numeric @attribute MAXDN numeric @attribute Eig04_EA numeric @attribute SM12_AEA.bo. numeric @attribute MPC09 numeric @attribute SM13_EA.ri. numeric @attribute MPC07 numeric @attribute SM15_EA.ed. numeric @attribute piPC10 numeric @attribute SpAD_EA.ed. numeric @attribute ATS7p numeric @attribute ATSC8s numeric @attribute Eig04_AEA.bo. numeric @attribute SpMin5_Bh.e. numeric @attribute nRNR2 numeric @attribute X5 numeric @attribute ATS1s numeric @attribute MWC03 numeric @attribute ZM2 numeric @attribute ATSC2v numeric @attribute IDET numeric @attribute SIC1 numeric @attribute Eta_L numeric @attribute TPSA.NO. numeric @attribute Eig05_EA.ed. numeric @attribute SM14_AEA.dm. numeric @attribute X2 numeric @attribute LPRS numeric @attribute ATSC8m numeric @attribute MPC08 numeric @attribute GATS4i numeric @attribute IDMT numeric @attribute MPC10 numeric @attribute SpMax1_Bh.s. numeric @attribute H. numeric @attribute CSI numeric @attribute Eig05_EA.bo. numeric @attribute SM15_AEA.ri. numeric @attribute ECC numeric @attribute ATSC2p numeric @attribute Eig06_AEA.bo. numeric @attribute SpMin5_Bh.m. numeric @attribute SssNH numeric @attribute Eig13_EA.bo. numeric @attribute SsOH numeric @attribute Eig05_AEA.ri. numeric @attribute SRW08 numeric @attribute Eig15_EA numeric @attribute SM09_AEA.dm. numeric @attribute SpMax7_Bh.p. numeric @attribute MPC06 numeric @attribute Psi_e_1 numeric @attribute Eig01_EA.dm. numeric @attribute SpMax_EA.dm. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig15_AEA.ed. numeric @attribute S3K numeric @attribute Eig04_EA.bo. numeric @attribute SM14_AEA.ri. numeric @attribute SAtot numeric @attribute SpMAD_EA.bo. numeric @attribute Eig03_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute nArCONHR numeric @attribute X5sol numeric @attribute X5v numeric @attribute MAXDP numeric @attribute MW numeric @attribute Eig04_AEA.dm. numeric @attribute SpMax1_Bh.p. numeric @attribute SM10_EA numeric @attribute Wap numeric @attribute Eig11_AEA.ed. numeric @attribute Mi numeric @attribute Eig12_EA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute ATS1v numeric @attribute nC numeric @attribute SpMax4_Bh.e. numeric @attribute CATS2D_06_DA numeric @attribute Eig12_AEA.ed. numeric @attribute MPC04 numeric @attribute Eig08_EA numeric @attribute SM02_AEA.dm. numeric @attribute SpMax2_Bh.e. numeric @attribute SM09_EA numeric @attribute Eig13_EA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute P_VSA_MR_5 numeric @attribute BIC0 numeric @attribute Eig08_AEA.dm. numeric @attribute BBI numeric @attribute MPC02 numeric @attribute pXC50 numeric @data {1 1,2 2,3 5,4 0.839,5 1,6 2,7 0.043,8 33.671,9 0.727,10 1,11 0.5,12 2.398,13 4.843,14 0.813,15 2.965,16 11.998,17 59.469,18 3.081,19 2,20 10.387,21 0.022,22 0.014,23 4.844,24 7.528,25 0.752,28 9.372,29 7.193,30 4.193,31 4.193,32 4.193,33 0.801,34 3.013,35 5.013,36 3.013,37 1,38 5,40 7.034,41 0.2,42 0.22,43 0.337,44 2,45 2.62,47 4.5,48 0.868,49 1.2,51 81.397,53 1,54 3.758,55 3.758,60 0.771,61 0.516,62 1.081,63 21.682,67 20.291,68 -0.101,70 0.173,71 1.111,72 1,73 0.051,74 0.214,75 0.8,76 0.519,77 0.633,78 4.391,79 0.78,81 2.328,82 6.587,83 7.029,84 0.241,85 0.069,86 11.082,87 11.082,88 11.082,90 31.278,91 0.239,92 14.718,93 21.737,95 2.403,96 18.305,97 18.855,99 4.15,100 4.15,101 47.564,102 0.622,103 0.562,104 1,105 1,106 -0.101,107 17.489,108 0.107,109 1.35,110 1.46,111 4.527,112 4.017,113 0.116,114 13.213,115 1.358,116 0.8,117 1.169,118 0.208,119 7.826,120 0.073,121 5,122 26.964,123 1.302,124 4.963,125 6.745,126 6.745,127 0.806,128 0.405,129 4.919,130 3.394,131 2.03,132 21.326,133 16.032,134 20,135 1.614,136 1.614,137 0.174,138 0.016,139 1.26,140 0.575,141 2.003,142 0.8,143 0.858,144 0.764,145 354.657,146 1,147 33.741,148 0.581,149 39.5,150 1.078,151 10.089,152 1.228,153 4.696,154 4.553,155 1,157 0.074,158 0.932,159 31.344,160 7.819,161 5.27,162 8.64,164 3.202,165 10.652,166 1.549,167 2,168 3,169 8.93,170 4.098,171 318.278,172 6.16,173 12.794,174 1.202,175 4.545,176 4.545,177 2.156,178 6.919,179 464.8,180 1.845,181 0.253,182 1.55,183 0.743,184 7.639,185 11,187 69.448,188 0.679,189 10.105,190 6,191 11.119,192 12.5,193 3.474,194 12.028,195 12.545,196 6.33,197 0.89,198 20,199 5.927,200 0.297,201 5.111,202 6.217,203 2.325,204 7,205 7.551,206 28.972,207 10.213,208 5.7,209 0.997,210 0.321,211 0.797,212 1.494,213 3.752,214 83.63,215 8.404,216 1.625,217 0.926,218 4.913,219 4.913,220 0.357,221 7.409,222 3.212,223 3.212,224 5.212,225 3.212,226 16.711,227 4.043,228 1.457,229 6.104,230 2.444,231 1,232 0.058,233 3.951,234 6.828,235 1.954,236 9.88,237 3.934,238 5.771,239 11.377,240 6,241 0.131,242 8.923,243 8.923,244 8.299,245 4.189,246 0.122,247 60.694,248 3.581,249 4.075,250 0.125,251 7.501,252 9.305,253 1.119,254 1.095,255 1.089,256 2,257 0.786,258 0.234,259 3.896,260 0.036,261 65,262 0.543,263 3.873,264 0.274,265 26.572,266 15.644,267 4.699,268 1.86,269 5,270 9.978,271 1.496,272 44.75,273 0.863,274 3.892,275 26.644,276 1,277 211.88,278 1.497,279 0.214,280 0.853,281 10.571,282 0.066,283 0.175,284 7.299,286 0.644,287 0.612,288 28.457,289 12.413,290 83.728,291 0.088,292 0.043,293 1.449,294 0.87,296 3.414,297 0.763,298 7.445,299 6.232,300 6.232,301 6.608,302 1.72,303 0.285,304 199.287,305 2.941,306 0.689,307 7.264,308 3.85,309 0.022,310 0.071,311 1.015,312 6.227,313 0.855,314 4.679,315 15.811,316 5.134,317 3.862,318 0.001,319 0.18,320 0.077,321 0.077,322 5.545,323 1.669,324 1.669,325 3.685,326 24,327 1.424,328 0.192,330 1.289,331 2.538,332 3.255,333 1,334 8.682,335 4.564,336 8.608,337 7.536,338 2.036,339 75,340 2.99,341 3.673,342 1.89,343 3.12,344 83.728,345 2.068,346 1.175,347 1.561,348 5.292,349 3.87,350 3.921,351 1.203,352 0.745,353 21.839,354 27.516,355 2.599,356 4,357 3.968,358 2.663,359 2.663,360 5145,361 4899,362 4.09,363 4.775,364 0.031,365 0.297,366 2,367 15.016,368 0.241,369 3.812,370 4,371 0.013,372 6,373 8.604,374 1.016,375 83.728,376 184.672,377 8.423,378 -0.882,379 3.136,380 3.136,381 3.074,382 7.037,383 94.943,384 5.027,385 1.992,386 1.992,387 3,388 2,389 204.574,391 1.434,392 2.286,393 2.286,394 5.182,395 14.555,396 4.913,397 36.128,398 7.638,399 114.068,400 3.86,401 33.429,402 3.396,403 1.171,404 2,405 6.555,406 4.897,407 5.714,408 151,409 8.713,410 779.469,411 0.66,412 5.808,413 55.39,414 5.893,415 5.893,416 10.129,417 104.217,418 23.799,419 5.081,420 1.05,421 8493.7,422 5.17,423 6.457,424 46.5,425 396,426 2.386,427 2.386,428 180,429 6.536,430 2.909,431 1.513,432 3.491,433 -0.267,434 9.506,435 2.916,436 8.436,437 -0.917,438 -0.917,439 2.806,440 4.745,441 3.637,442 1.032,443 1.032,444 3.196,445 2,446 2.887,447 2.493,448 2.493,449 404.401,450 1.862,451 2.867,452 14.2,454 7.316,455 2.92,456 3.506,457 328.48,458 2.648,459 4.004,460 12.041,461 16951,462 2.918,463 1.127,464 0.17,465 0.17,466 3.394,467 17,468 3.32,469 2,470 2.766,471 4.263,472 1.235,473 1.235,474 3.808,475 10.855,476 -0.559,477 -0.559,478 50.397,479 0.282,480 1.344,481 37,482 3.638,483 7.18} {0 CHEMBL10085,2 4,3 4,4 1.112,6 2,7 0.087,9 0.426,11 1,13 7.863,14 0.898,15 3.702,16 11.74,17 36.145,18 3.878,19 6,20 10.092,21 0.021,22 0.003,24 7.355,25 1.321,28 9.24,29 6.867,30 3.867,31 3.867,32 3.867,33 1.087,34 2.948,35 4.948,36 2.948,42 0.231,43 0.283,44 4,45 2.345,47 5.5,48 0.977,49 1,54 3.83,55 3.83,60 0.928,61 0.661,62 2.119,63 20.91,67 19.622,68 0.036,70 0.162,71 1.07,73 -0.125,74 -0.071,75 1.526,76 0.743,77 0.59,78 4.416,79 1.014,81 29.85,82 5.921,83 6.051,84 0.162,85 0.08,86 10.216,87 10.216,88 10.216,91 -0.097,92 14.328,93 26.842,94 1,95 3.127,96 17.024,97 18.211,98 1,99 3.983,100 3.983,102 0.825,103 1.496,106 0.001,107 16.962,108 0.12,109 1.3,110 1.801,111 4.511,112 4.1,113 0.103,114 12.806,116 0.916,117 2.158,118 0.382,119 13.323,120 0.081,121 7,122 28.654,123 1.277,125 6.508,126 6.508,127 0.813,128 0.366,129 4.859,130 3.762,131 2.085,132 37.946,133 15.51,134 24,135 1.37,136 1.37,137 0.184,138 0.01,139 2.012,140 0.529,141 2.347,142 2.186,143 2.559,144 1.092,145 384.491,147 32.968,148 0.572,149 39.4,150 1.512,151 10.241,152 1.113,153 4.884,154 4.705,157 0.09,158 0.951,159 30.654,160 7.904,161 5.176,162 13.151,164 3.623,165 10.729,166 1.298,168 8,169 9.037,170 10.126,171 384.406,172 5.658,173 12.747,174 1.018,175 4.305,176 4.305,177 4.137,178 6.91,179 513.24,180 3.04,181 0.279,182 1.511,183 1.829,184 6.388,185 12,186 0.169,188 0.638,189 10.159,190 5,191 11.082,192 14.5,193 3.792,194 11.951,195 12.496,196 6.382,197 1.232,198 21,199 6.08,200 0.366,201 4.206,202 9.337,203 2.486,204 4,205 11.257,206 28.373,207 10.222,208 5.878,209 0.986,210 -0.831,211 0.989,212 2.098,213 3.834,214 36.02,215 8.497,216 1.1,217 1.132,218 5.496,219 5.496,220 0.261,221 6.205,222 3.034,223 3.034,224 5.034,225 3.034,226 16.756,227 4.016,228 1.68,229 6.402,230 2.889,231 4,232 -0.141,233 4.094,234 7.031,235 2.293,236 9.886,237 4.231,238 5.634,239 11.37,240 9,241 0.014,242 9.731,243 9.731,244 9.148,245 4.527,246 0.021,248 3.004,249 4.057,250 -0.102,251 7.63,252 9.354,253 2.362,254 2.608,255 2.884,257 0.826,258 0.263,259 4.218,260 0.044,261 149,262 0.468,263 3.96,264 0.291,265 26.05,266 15.716,267 6.912,268 1.922,269 10,270 10.013,271 1.48,272 38.549,273 0.605,274 4.007,275 48.748,276 2,277 411.989,278 1.477,279 0.686,280 1.023,281 10.561,282 0.063,283 0.005,284 8.556,286 1.222,287 0.997,288 39.561,289 12.463,290 45.518,291 1,292 0.029,293 1.616,294 0.774,296 3.59,297 0.994,298 7.462,299 6.834,300 6.834,301 6.779,302 1.876,303 0.516,304 271.304,305 3.411,306 1.502,307 7.384,308 3.933,309 0.018,310 0.983,311 0.188,312 10.517,313 1.3,314 4.7,315 21.631,316 5.358,317 4.169,319 -0.085,320 1,321 1,322 5.305,323 1.989,324 1.989,325 4.073,326 24,327 1.952,328 0.182,330 1.396,331 4.411,332 3.292,333 2,334 11.712,335 4.564,336 8.605,337 7.473,338 1.973,339 131,340 3.137,341 3.863,342 1.952,343 3.54,344 45.518,345 2.244,346 1.029,347 1.896,348 5.051,349 4.232,350 4.058,351 1.162,352 2,353 29.598,354 51.143,355 2.965,356 4.36,357 3.917,358 2.644,359 2.644,360 14274,361 13539,362 4.22,363 4.905,364 0.035,365 0.227,366 4,367 20.03,368 0.459,369 4.674,370 4,371 0.012,372 12,373 8.68,374 1.149,375 45.518,376 199.584,377 25.468,378 0.166,379 3.108,380 3.108,381 3.213,382 8.483,383 127.294,384 5.202,385 2.204,386 2.204,387 8,388 1,389 332.665,391 1.479,392 2.393,393 2.393,394 4.828,395 14.64,396 4.673,397 35.263,398 6.445,399 138.949,400 4.279,401 39.048,402 3.528,403 1.577,404 1,405 7.554,406 5.176,407 5.916,408 185,409 15.225,410 1803.49,411 0.497,412 8.655,413 36.02,414 6.34,415 6.34,416 13.404,417 163.836,418 38.077,419 4.754,420 0.998,421 26759.1,422 4.92,423 7.428,424 53,425 891,426 2.391,427 2.391,428 413,429 10.123,430 3.162,431 1.85,433 1,435 3.131,436 8.614,437 0.175,438 0.175,439 2.945,440 4.543,441 4.818,442 1.2,443 1.2,444 3.334,445 2.93,446 5.808,447 2.608,448 2.608,449 592.386,450 1.762,451 3.008,452 14.226,454 7.554,455 3.314,456 5.846,457 421.64,458 2.744,459 3.915,460 11.96,461 30248,462 3.499,463 1.13,464 2.275,465 2.275,466 3.718,467 26,468 3.703,470 3.414,471 4.344,472 1.471,473 1.471,474 3.928,475 10.788,476 2.136,477 2.136,478 46.243,479 0.219,480 1.793,481 46,482 3.85,483 5.301} {0 CHEMBL104,2 4,3 4,4 0.967,6 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