@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4394

@attribute molecule_id {CHEMBL1076555,CHEMBL1209256,CHEMBL1209322,CHEMBL1209323,CHEMBL1209324,CHEMBL1209325,CHEMBL1209326,CHEMBL1209384,CHEMBL1209385,CHEMBL1209386,CHEMBL1209387,CHEMBL1209388,CHEMBL1209460,CHEMBL1209461,CHEMBL1209462,CHEMBL1209463,CHEMBL1209464,CHEMBL1209542,CHEMBL1209543,CHEMBL1209544,CHEMBL1209545,CHEMBL1209546,CHEMBL1209614,CHEMBL1209615,CHEMBL1209616,CHEMBL1209617,CHEMBL1209685,CHEMBL1209686,CHEMBL1209687,CHEMBL1241832,CHEMBL1289102,CHEMBL1774553,CHEMBL1774554,CHEMBL1774555,CHEMBL1774556,CHEMBL1774557,CHEMBL1774558,CHEMBL1774559,CHEMBL1774560,CHEMBL1774561,CHEMBL1774562,CHEMBL1774563,CHEMBL1774564,CHEMBL1774565,CHEMBL1774566,CHEMBL1774567,CHEMBL1774568,CHEMBL1774569,CHEMBL1774570,CHEMBL1774571,CHEMBL1774572,CHEMBL1774573,CHEMBL1774574,CHEMBL1774585,CHEMBL1774586,CHEMBL1774587,CHEMBL1774588,CHEMBL1927562,CHEMBL1927579,CHEMBL1927581,CHEMBL1927583,CHEMBL1927588,CHEMBL1927590,CHEMBL1927592,CHEMBL1927596,CHEMBL2158693,CHEMBL2158694,CHEMBL2158695,CHEMBL2158696,CHEMBL2158697,CHEMBL2158698,CHEMBL2316958,CHEMBL322333,CHEMBL427579,CHEMBL495798,CHEMBL495816,CHEMBL551092,CHEMBL551232,CHEMBL559072,CHEMBL561025,CHEMBL561296,CHEMBL561434,CHEMBL568698,CHEMBL572686,CHEMBL572687,CHEMBL572723,CHEMBL572912,CHEMBL572954,CHEMBL572955,CHEMBL572985,CHEMBL574237,CHEMBL574238,CHEMBL574941,CHEMBL575137,CHEMBL575356,CHEMBL575357,CHEMBL575358,CHEMBL575560,CHEMBL575748,CHEMBL575772,CHEMBL575959,CHEMBL575960,CHEMBL578596,CHEMBL583709,CHEMBL583979,CHEMBL584561,CHEMBL585551,CHEMBL67166}
@attribute FCFP4_1024b297 numeric
@attribute FCFP4_1024b693 numeric
@attribute FCFP4_1024b279 numeric
@attribute FCFP4_1024b957 numeric
@attribute FCFP4_1024b147 numeric
@attribute FCFP4_1024b148 numeric
@attribute FCFP4_1024b597 numeric
@attribute FCFP4_1024b87 numeric
@attribute FCFP4_1024b2 numeric
@attribute FCFP4_1024b925 numeric
@attribute FCFP4_1024b492 numeric
@attribute FCFP4_1024b235 numeric
@attribute FCFP4_1024b69 numeric
@attribute FCFP4_1024b682 numeric
@attribute FCFP4_1024b838 numeric
@attribute FCFP4_1024b4 numeric
@attribute FCFP4_1024b408 numeric
@attribute FCFP4_1024b429 numeric
@attribute FCFP4_1024b111 numeric
@attribute FCFP4_1024b769 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 FCFP4_1024b1024 numeric
@attribute FCFP4_1024b103 numeric
@attribute pXC50 numeric

@data
{16 1,52 4.921}
{0 CHEMBL1209256,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 5}
{0 CHEMBL1209322,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.167}
{0 CHEMBL1209323,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 5}
{0 CHEMBL1209324,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.066}
{0 CHEMBL1209325,9 1,10 1,11 1,12 1,16 1,21 1,52 6.215}
{0 CHEMBL1209326,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 5.658}
{0 CHEMBL1209384,9 1,10 1,11 1,16 1,21 1,52 5.959}
{0 CHEMBL1209385,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.215}
{0 CHEMBL1209386,9 1,10 1,11 1,12 1,16 1,21 1,52 7.155}
{0 CHEMBL1209387,9 1,10 1,11 1,16 1,21 1,24 1,52 5.959}
{0 CHEMBL1209388,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.31}
{0 CHEMBL1209460,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 6.367}
{0 CHEMBL1209461,3 1,4 1,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 6.42}
{0 CHEMBL1209462,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 6.678}
{0 CHEMBL1209463,3 1,4 1,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 5.585}
{0 CHEMBL1209464,3 1,4 1,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 6.208}
{0 CHEMBL1209542,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 7.167}
{0 CHEMBL1209543,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 5.301}
{0 CHEMBL1209544,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 7.602}
{0 CHEMBL1209545,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 6.143}
{0 CHEMBL1209546,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 5.42}
{0 CHEMBL1209614,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.319}
{0 CHEMBL1209615,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.523}
{0 CHEMBL1209616,9 1,10 1,11 1,12 1,13 1,16 1,18 1,21 1,52 6.959}
{0 CHEMBL1209617,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 7.237}
{0 CHEMBL1209685,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 7.699}
{0 CHEMBL1209686,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 8}
{0 CHEMBL1209687,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 7.252}
{0 CHEMBL1241832,9 1,10 1,16 1,21 1,24 1,52 5.975}
{0 CHEMBL1289102,9 1,10 1,16 1,18 1,21 1,24 1,52 5.876}
{0 CHEMBL1774553,9 1,10 1,11 1,16 1,21 1,52 5.222}
{0 CHEMBL1774554,9 1,10 1,11 1,16 1,21 1,52 5.268}
{0 CHEMBL1774555,9 1,10 1,11 1,16 1,21 1,52 5.046}
{0 CHEMBL1774556,9 1,10 1,11 1,16 1,21 1,52 5.301}
{0 CHEMBL1774557,9 1,10 1,11 1,16 1,21 1,52 6.301}
{0 CHEMBL1774558,9 1,10 1,11 1,16 1,21 1,52 5.886}
{0 CHEMBL1774559,9 1,10 1,11 1,16 1,17 1,18 1,21 1,52 6.409}
{0 CHEMBL1774560,9 1,10 1,11 1,16 1,17 1,18 1,21 1,52 6.62}
{0 CHEMBL1774561,9 1,10 1,11 1,16 1,17 1,18 1,21 1,52 6.097}
{0 CHEMBL1774562,9 1,10 1,11 1,16 1,18 1,21 1,52 5.824}
{0 CHEMBL1774563,9 1,10 1,11 1,16 1,17 1,18 1,21 1,52 6.959}
{0 CHEMBL1774564,9 1,10 1,11 1,16 1,17 1,18 1,21 1,52 6.347}
{0 CHEMBL1774565,9 1,10 1,11 1,16 1,17 1,18 1,21 1,41 1,52 6.886}
{0 CHEMBL1774566,9 1,10 1,11 1,16 1,17 1,18 1,21 1,41 1,52 6.77}
{0 CHEMBL1774567,9 1,10 1,11 1,16 1,21 1,41 1,52 5.886}
{0 CHEMBL1774568,9 1,10 1,11 1,16 1,18 1,21 1,41 1,52 5.398}
{0 CHEMBL1774569,9 1,10 1,11 1,16 1,17 1,18 1,21 1,41 1,52 7.022}
{0 CHEMBL1774570,9 1,10 1,11 1,16 1,21 1,41 1,52 5.796}
{0 CHEMBL1774571,9 1,10 1,11 1,13 1,16 1,21 1,52 6.886}
{0 CHEMBL1774572,9 1,10 1,11 1,13 1,16 1,21 1,52 4.796}
{0 CHEMBL1774573,9 1,10 1,11 1,13 1,16 1,17 1,18 1,21 1,52 7.125}
{0 CHEMBL1774574,9 1,10 1,11 1,13 1,16 1,17 1,18 1,21 1,52 7.004}
{0 CHEMBL1774585,9 1,10 1,11 1,16 1,17 1,18 1,21 1,43 1,52 6.886}
{0 CHEMBL1774586,9 1,10 1,11 1,13 1,16 1,17 1,18 1,21 1,26 1,52 5.699}
{0 CHEMBL1774587,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,26 1,52 7.328}
{0 CHEMBL1774588,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,26 1,52 6.959}
{0 CHEMBL1927562,1 1,2 1,3 1,4 1,16 1,21 1,52 4}
{0 CHEMBL1927579,1 1,2 1,3 1,4 1,11 1,16 1,21 1,33 1,52 4.658}
{0 CHEMBL1927581,1 1,2 1,3 1,4 1,11 1,16 1,21 1,52 4.495}
{0 CHEMBL1927583,1 1,2 1,3 1,4 1,21 1,22 1,52 4.398}
{0 CHEMBL1927588,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,21 1,52 4.222}
{0 CHEMBL1927590,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.493}
{0 CHEMBL1927592,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,21 1,52 4}
{0 CHEMBL1927596,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,14 1,15 1,16 1,21 1,52 4.155}
{0 CHEMBL2158693,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.456}
{0 CHEMBL2158694,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.456}
{0 CHEMBL2158695,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.824}
{0 CHEMBL2158696,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.886}
{0 CHEMBL2158697,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.444}
{0 CHEMBL2158698,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.569}
{0 CHEMBL2316958,9 1,10 1,12 1,21 1,22 1,24 1,26 1,43 1,52 6}
{0 CHEMBL322333,11 1,16 1,21 1,22 1,52 5.244}
{0 CHEMBL427579,9 1,10 1,11 1,16 1,21 1,52 6.187}
{0 CHEMBL495798,9 1,10 1,21 1,52 5.502}
{0 CHEMBL495816,9 1,10 1,11 1,16 1,17 1,21 1,52 5.921}
{0 CHEMBL551092,11 1,16 1,21 1,52 5.402}
{0 CHEMBL551232,11 1,16 1,21 1,52 6.301}
{0 CHEMBL559072,11 1,16 1,21 1,52 5.4}
{0 CHEMBL561025,11 1,16 1,21 1,52 5.556}
{0 CHEMBL561296,11 1,16 1,21 1,52 5.66}
{0 CHEMBL561434,11 1,16 1,21 1,52 5.648}
{0 CHEMBL568698,9 1,10 1,11 1,16 1,21 1,52 5.398}
{0 CHEMBL572686,11 1,16 1,21 1,52 5.301}
{0 CHEMBL572687,9 1,10 1,11 1,16 1,21 1,52 5.658}
{0 CHEMBL572723,9 1,10 1,11 1,16 1,21 1,52 5.678}
{0 CHEMBL572912,9 1,10 1,11 1,16 1,21 1,52 5}
{0 CHEMBL572954,9 1,10 1,11 1,16 1,21 1,52 6.367}
{0 CHEMBL572955,9 1,10 1,11 1,16 1,21 1,52 5.208}
{0 CHEMBL572985,9 1,10 1,11 1,16 1,21 1,52 5.367}
{0 CHEMBL574237,11 1,16 1,21 1,52 5}
{0 CHEMBL574238,9 1,10 1,11 1,16 1,21 1,52 7.208}
{0 CHEMBL574941,9 1,10 1,11 1,16 1,21 1,52 5}
{0 CHEMBL575137,9 1,10 1,11 1,16 1,21 1,52 5.495}
{0 CHEMBL575356,9 1,10 1,11 1,16 1,21 1,52 5}
{0 CHEMBL575357,9 1,10 1,11 1,16 1,21 1,52 5.469}
{0 CHEMBL575358,9 1,10 1,11 1,16 1,21 1,52 5.081}
{0 CHEMBL575560,9 1,10 1,11 1,16 1,21 1,52 5.301}
{0 CHEMBL575748,9 1,10 1,11 1,16 1,21 1,52 5.678}
{0 CHEMBL575772,9 1,10 1,11 1,16 1,21 1,52 6.745}
{0 CHEMBL575959,9 1,10 1,11 1,16 1,21 1,52 5.796}
{0 CHEMBL575960,9 1,10 1,11 1,16 1,21 1,52 5.959}
{0 CHEMBL578596,11 1,16 1,21 1,52 6.131}
{0 CHEMBL583709,9 1,10 1,11 1,16 1,21 1,52 5.553}
{0 CHEMBL583979,9 1,10 1,11 1,16 1,21 1,52 5.854}
{0 CHEMBL584561,9 1,10 1,11 1,16 1,21 1,52 5}
{0 CHEMBL585551,9 1,10 1,11 1,16 1,21 1,52 5.456}
{0 CHEMBL67166,11 1,16 1,21 1,52 5.413}