@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3521

@attribute molecule_id {CHEMBL104371,CHEMBL106993,CHEMBL107729,CHEMBL1077438,CHEMBL1081579,CHEMBL108721,CHEMBL117496,CHEMBL1241314,CHEMBL1241315,CHEMBL1241469,CHEMBL1242362,CHEMBL1242363,CHEMBL1242457,CHEMBL1242458,CHEMBL1242552,CHEMBL1242553,CHEMBL1242642,CHEMBL1242643,CHEMBL1242735,CHEMBL1242736,CHEMBL1242826,CHEMBL1242827,CHEMBL137867,CHEMBL138257,CHEMBL138575,CHEMBL1650889,CHEMBL1650891,CHEMBL1650892,CHEMBL1650893,CHEMBL1650918,CHEMBL1667953,CHEMBL1667954,CHEMBL1667955,CHEMBL1667956,CHEMBL1667957,CHEMBL1667958,CHEMBL1667959,CHEMBL1667960,CHEMBL1667961,CHEMBL1667962,CHEMBL168,CHEMBL169,CHEMBL1773168,CHEMBL1773180,CHEMBL1773181,CHEMBL179166,CHEMBL1800273,CHEMBL1801440,CHEMBL1822606,CHEMBL1822607,CHEMBL200117,CHEMBL201515,CHEMBL201662,CHEMBL202197,CHEMBL211369,CHEMBL2208249,CHEMBL2208259,CHEMBL2316902,CHEMBL2316906,CHEMBL2316907,CHEMBL235595,CHEMBL301254,CHEMBL303333,CHEMBL324232,CHEMBL324968,CHEMBL325029,CHEMBL336435,CHEMBL338073,CHEMBL365490,CHEMBL374829,CHEMBL391533,CHEMBL393606,CHEMBL420456,CHEMBL449613,CHEMBL454811,CHEMBL463665,CHEMBL472400,CHEMBL472401,CHEMBL472646,CHEMBL499413,CHEMBL506661,CHEMBL507502,CHEMBL508831,CHEMBL509443,CHEMBL51447,CHEMBL518277,CHEMBL541940,CHEMBL549297,CHEMBL549372,CHEMBL549505,CHEMBL550462,CHEMBL550662,CHEMBL551671,CHEMBL554726,CHEMBL556076,CHEMBL556636,CHEMBL556913,CHEMBL556914,CHEMBL557393,CHEMBL557450,CHEMBL557655,CHEMBL557861,CHEMBL559312,CHEMBL562059,CHEMBL562135,CHEMBL562392,CHEMBL562468,CHEMBL562469,CHEMBL563436,CHEMBL564124,CHEMBL564439,CHEMBL564699,CHEMBL570779,CHEMBL572899,CHEMBL573989,CHEMBL574391,CHEMBL574813,CHEMBL576164,CHEMBL578429,CHEMBL582862,CHEMBL58737,CHEMBL590043,CHEMBL598217,CHEMBL598832,CHEMBL599646,CHEMBL602231,CHEMBL603479,CHEMBL60707,CHEMBL89067,CHEMBL95255,CHEMBL96952}
@attribute FCFP4_1024b478 numeric
@attribute FCFP4_1024b278 numeric
@attribute FCFP4_1024b747 numeric
@attribute FCFP4_1024b142 numeric
@attribute FCFP4_1024b485 numeric
@attribute FCFP4_1024b839 numeric
@attribute FCFP4_1024b180 numeric
@attribute FCFP4_1024b42 numeric
@attribute FCFP4_1024b487 numeric
@attribute FCFP4_1024b246 numeric
@attribute FCFP4_1024b369 numeric
@attribute FCFP4_1024b723 numeric
@attribute FCFP4_1024b540 numeric
@attribute FCFP4_1024b408 numeric
@attribute FCFP4_1024b283 numeric
@attribute FCFP4_1024b1020 numeric
@attribute FCFP4_1024b345 numeric
@attribute FCFP4_1024b505 numeric
@attribute FCFP4_1024b800 numeric
@attribute FCFP4_1024b372 numeric
@attribute FCFP4_1024b565 numeric
@attribute FCFP4_1024b514 numeric
@attribute FCFP4_1024b341 numeric
@attribute FCFP4_1024b711 numeric
@attribute FCFP4_1024b678 numeric
@attribute FCFP4_1024b708 numeric
@attribute FCFP4_1024b869 numeric
@attribute FCFP4_1024b892 numeric
@attribute FCFP4_1024b237 numeric
@attribute FCFP4_1024b845 numeric
@attribute FCFP4_1024b653 numeric
@attribute FCFP4_1024b162 numeric
@attribute FCFP4_1024b493 numeric
@attribute FCFP4_1024b286 numeric
@attribute FCFP4_1024b822 numeric
@attribute FCFP4_1024b260 numeric
@attribute FCFP4_1024b920 numeric
@attribute FCFP4_1024b572 numeric
@attribute FCFP4_1024b592 numeric
@attribute FCFP4_1024b11 numeric
@attribute FCFP4_1024b610 numeric
@attribute FCFP4_1024b903 numeric
@attribute FCFP4_1024b804 numeric
@attribute FCFP4_1024b170 numeric
@attribute FCFP4_1024b392 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 pXC50 numeric

@data
{1 1,43 1,44 1,46 1,52 4.523}
{0 CHEMBL106993,43 1,44 1,46 1,52 4.523}
{0 CHEMBL107729,1 1,43 1,44 1,46 1,52 4.523}
{0 CHEMBL1077438,3 1,17 1,26 1,44 1,46 1,52 4.357}
{0 CHEMBL1081579,15 1,43 1,44 1,46 1,52 4}
{0 CHEMBL108721,16 1,35 1,44 1,46 1,52 5.824}
{0 CHEMBL117496,43 1,44 1,46 1,52 5.523}
{0 CHEMBL1241314,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.447}
{0 CHEMBL1241315,43 1,44 1,46 1,52 6.387}
{0 CHEMBL1241469,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,51 1,52 5.685}
{0 CHEMBL1242362,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.524}
{0 CHEMBL1242363,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.426}
{0 CHEMBL1242457,1 1,16 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.571}
{0 CHEMBL1242458,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.878}
{0 CHEMBL1242552,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.542}
{0 CHEMBL1242553,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.685}
{0 CHEMBL1242642,1 1,18 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.531}
{0 CHEMBL1242643,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.669}
{0 CHEMBL1242735,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.488}
{0 CHEMBL1242736,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.577}
{0 CHEMBL1242826,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.677}
{0 CHEMBL1242827,1 1,20 1,35 1,38 1,40 1,41 1,42 1,43 1,44 1,46 1,52 5.703}
{0 CHEMBL137867,44 1,46 1,52 4.046}
{0 CHEMBL138257,44 1,46 1,52 4.301}
{0 CHEMBL138575,44 1,46 1,52 4.046}
{0 CHEMBL1650889,11 1,32 1,36 1,44 1,46 1,52 4.593}
{0 CHEMBL1650891,11 1,32 1,36 1,43 1,44 1,46 1,52 4.625}
{0 CHEMBL1650892,11 1,32 1,36 1,43 1,44 1,46 1,52 4.442}
{0 CHEMBL1650893,11 1,32 1,36 1,43 1,44 1,46 1,51 1,52 4.399}
{0 CHEMBL1650918,11 1,32 1,36 1,44 1,46 1,52 4.353}
{0 CHEMBL1667953,3 1,7 1,8 1,9 1,17 1,18 1,19 1,23 1,24 1,25 1,27 1,33 1,34 1,39 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL1667954,3 1,7 1,8 1,9 1,17 1,18 1,19 1,23 1,24 1,25 1,27 1,33 1,34 1,39 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL1667955,3 1,7 1,8 1,9 1,17 1,18 1,19 1,23 1,24 1,25 1,27 1,33 1,34 1,39 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL1667956,3 1,7 1,8 1,9 1,17 1,18 1,19 1,23 1,24 1,25 1,27 1,33 1,34 1,39 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL1667957,3 1,7 1,8 1,9 1,17 1,18 1,19 1,23 1,24 1,25 1,27 1,33 1,34 1,39 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL1667958,3 1,7 1,8 1,9 1,17 1,18 1,19 1,23 1,24 1,25 1,27 1,33 1,34 1,39 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL1667959,3 1,7 1,8 1,9 1,17 1,18 1,19 1,23 1,24 1,25 1,27 1,33 1,34 1,39 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL1667960,3 1,7 1,8 1,9 1,17 1,18 1,19 1,23 1,24 1,25 1,27 1,33 1,34 1,39 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL1667961,19 1,23 1,24 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL1667962,19 1,23 1,24 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL168,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,37 1,45 1,46 1,52 4.663}
{0 CHEMBL169,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,28 1,37 1,45 1,46 1,52 4.398}
{0 CHEMBL1773168,15 1,43 1,44 1,46 1,52 4.301}
{0 CHEMBL1773180,16 1,43 1,44 1,46 1,47 1,52 4.301}
{0 CHEMBL1773181,16 1,43 1,44 1,46 1,47 1,52 4.301}
{0 CHEMBL179166,46 1,52 4.609}
{0 CHEMBL1800273,44 1,46 1,52 4}
{0 CHEMBL1801440,43 1,44 1,46 1,52 4}
{0 CHEMBL1822606,3 1,7 1,8 1,9 1,17 1,18 1,23 1,24 1,25 1,33 1,34 1,39 1,43 1,44 1,46 1,52 4}
{0 CHEMBL1822607,3 1,7 1,8 1,9 1,17 1,18 1,23 1,24 1,25 1,33 1,34 1,39 1,43 1,44 1,46 1,52 4}
{0 CHEMBL200117,43 1,44 1,46 1,52 6.161}
{0 CHEMBL201515,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,37 1,45 1,46 1,52 4.398}
{0 CHEMBL201662,43 1,44 1,46 1,52 4.21}
{0 CHEMBL202197,43 1,44 1,46 1,52 5}
{0 CHEMBL211369,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,31 1,37 1,45 1,46 1,52 4.398}
{0 CHEMBL2208249,43 1,44 1,46 1,52 4}
{0 CHEMBL2208259,44 1,46 1,52 4}
{0 CHEMBL2316902,43 1,44 1,46 1,52 5}
{0 CHEMBL2316906,44 1,46 1,52 5}
{0 CHEMBL2316907,43 1,44 1,46 1,52 5}
{0 CHEMBL235595,25 1,43 1,44 1,46 1,52 4.569}
{0 CHEMBL301254,38 1,43 1,44 1,46 1,52 5.149}
{0 CHEMBL303333,43 1,44 1,46 1,52 4.529}
{0 CHEMBL324232,1 1,16 1,35 1,43 1,44 1,46 1,52 6.377}
{0 CHEMBL324968,43 1,44 1,46 1,52 5.886}
{0 CHEMBL325029,43 1,44 1,46 1,47 1,52 4.018}
{0 CHEMBL336435,43 1,44 1,46 1,52 4.301}
{0 CHEMBL338073,43 1,44 1,46 1,52 4.387}
{0 CHEMBL365490,1 1,16 1,43 1,44 1,46 1,52 5.488}
{0 CHEMBL374829,46 1,52 4.301}
{0 CHEMBL391533,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,28 1,37 1,45 1,46 1,52 4.398}
{0 CHEMBL393606,25 1,43 1,44 1,46 1,52 4.609}
{0 CHEMBL420456,16 1,43 1,44 1,46 1,47 1,52 4.796}
{0 CHEMBL449613,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,43 1,44 1,46 1,52 4.398}
{0 CHEMBL454811,13 1,43 1,44 1,46 1,52 4.661}
{0 CHEMBL463665,4 1,5 1,6 1,11 1,13 1,14 1,19 1,21 1,37 1,46 1,52 4.445}
{0 CHEMBL472400,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,46 1,52 4.398}
{0 CHEMBL472401,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,46 1,52 4.398}
{0 CHEMBL472646,4 1,5 1,6 1,11 1,13 1,14 1,19 1,21 1,37 1,46 1,52 4.341}
{0 CHEMBL499413,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,31 1,36 1,43 1,44 1,46 1,52 4.398}
{0 CHEMBL506661,46 1,52 5.886}
{0 CHEMBL507502,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,36 1,43 1,44 1,46 1,52 4.398}
{0 CHEMBL508831,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,31 1,37 1,43 1,44 1,45 1,46 1,52 4.398}
{0 CHEMBL509443,4 1,5 1,6 1,10 1,11 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,36 1,43 1,44 1,46 1,52 4.398}
{0 CHEMBL51447,38 1,43 1,44 1,46 1,52 5.604}
{0 CHEMBL518277,46 1,52 5.815}
{0 CHEMBL541940,4 1,5 1,6 1,10 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,37 1,44 1,45 1,46 1,52 4.398}
{0 CHEMBL549297,1 1,2 1,15 1,16 1,22 1,26 1,31 1,32 1,34 1,36 1,43 1,44 1,46 1,52 5.152}
{0 CHEMBL549372,1 1,2 1,15 1,16 1,20 1,22 1,26 1,31 1,32 1,36 1,39 1,43 1,44 1,46 1,52 6.339}
{0 CHEMBL549505,1 1,2 1,15 1,16 1,22 1,26 1,31 1,32 1,34 1,36 1,43 1,44 1,46 1,52 5.189}
{0 CHEMBL550462,1 1,2 1,15 1,16 1,22 1,26 1,32 1,36 1,43 1,44 1,46 1,52 5.228}
{0 CHEMBL550662,1 1,2 1,15 1,16 1,22 1,26 1,32 1,36 1,43 1,44 1,46 1,52 6.204}
{0 CHEMBL551671,1 1,2 1,15 1,16 1,22 1,26 1,28 1,31 1,32 1,36 1,43 1,44 1,46 1,52 5.36}
{0 CHEMBL554726,1 1,2 1,15 1,16 1,22 1,26 1,28 1,31 1,32 1,36 1,43 1,44 1,46 1,52 5.39}
{0 CHEMBL556076,1 1,2 1,15 1,16 1,20 1,22 1,26 1,31 1,32 1,36 1,39 1,43 1,44 1,46 1,52 6.307}
{0 CHEMBL556636,1 1,2 1,15 1,16 1,20 1,22 1,26 1,31 1,32 1,36 1,39 1,43 1,44 1,46 1,52 6.418}
{0 CHEMBL556913,1 1,2 1,15 1,16 1,22 1,26 1,31 1,32 1,33 1,36 1,39 1,43 1,44 1,46 1,52 5.296}
{0 CHEMBL556914,1 1,2 1,15 1,16 1,22 1,26 1,31 1,32 1,36 1,43 1,44 1,46 1,52 5.624}
{0 CHEMBL557393,1 1,2 1,15 1,16 1,22 1,26 1,31 1,32 1,36 1,43 1,44 1,46 1,52 5.546}
{0 CHEMBL557450,1 1,2 1,15 1,16 1,22 1,26 1,31 1,32 1,33 1,36 1,43 1,44 1,46 1,52 5.136}
{0 CHEMBL557655,1 1,2 1,13 1,15 1,16 1,26 1,31 1,32 1,36 1,43 1,44 1,46 1,52 5.232}
{0 CHEMBL557861,1 1,2 1,15 1,16 1,31 1,32 1,34 1,36 1,43 1,44 1,46 1,52 5.232}
{0 CHEMBL559312,1 1,2 1,15 1,16 1,22 1,26 1,32 1,36 1,43 1,44 1,46 1,52 5.153}
{0 CHEMBL562059,4 1,5 1,6 1,10 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,37 1,45 1,46 1,52 4.398}
{0 CHEMBL562135,1 1,2 1,15 1,16 1,31 1,32 1,36 1,43 1,44 1,46 1,52 5.332}
{0 CHEMBL562392,1 1,2 1,15 1,16 1,31 1,32 1,34 1,36 1,43 1,44 1,46 1,52 5.223}
{0 CHEMBL562468,1 1,2 1,15 1,16 1,22 1,26 1,31 1,32 1,33 1,36 1,39 1,43 1,44 1,46 1,52 5.303}
{0 CHEMBL562469,1 1,2 1,15 1,16 1,22 1,26 1,31 1,32 1,36 1,43 1,44 1,46 1,52 5.622}
{0 CHEMBL563436,1 1,2 1,15 1,16 1,22 1,26 1,31 1,32 1,33 1,36 1,43 1,44 1,46 1,52 5.153}
{0 CHEMBL564124,1 1,2 1,15 1,16 1,22 1,26 1,31 1,32 1,36 1,43 1,44 1,46 1,52 5.712}
{0 CHEMBL564439,1 1,2 1,15 1,16 1,31 1,32 1,34 1,36 1,43 1,44 1,46 1,52 5.483}
{0 CHEMBL564699,1 1,2 1,15 1,16 1,20 1,22 1,26 1,31 1,32 1,36 1,39 1,43 1,44 1,46 1,52 6.42}
{0 CHEMBL570779,1 1,2 1,15 1,16 1,22 1,26 1,32 1,36 1,43 1,44 1,46 1,52 6.116}
{0 CHEMBL572899,4 1,5 1,6 1,10 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,37 1,44 1,45 1,46 1,52 4.398}
{0 CHEMBL573989,44 1,46 1,52 4.167}
{0 CHEMBL574391,4 1,5 1,6 1,10 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,37 1,45 1,46 1,49 1,52 4.398}
{0 CHEMBL574813,44 1,46 1,52 4}
{0 CHEMBL576164,4 1,5 1,6 1,10 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,37 1,45 1,46 1,52 4.398}
{0 CHEMBL578429,4 1,5 1,6 1,10 1,12 1,13 1,14 1,16 1,19 1,21 1,28 1,29 1,30 1,37 1,45 1,46 1,52 4.398}
{0 CHEMBL582862,4 1,5 1,6 1,10 1,12 1,13 1,14 1,19 1,21 1,28 1,29 1,30 1,37 1,45 1,46 1,52 4.398}
{0 CHEMBL58737,14 1,34 1,43 1,44 1,46 1,52 5.046}
{0 CHEMBL590043,15 1,32 1,44 1,46 1,52 4.301}
{0 CHEMBL598217,3 1,44 1,46 1,52 4}
{0 CHEMBL598832,43 1,44 1,46 1,52 4}
{0 CHEMBL599646,3 1,43 1,44 1,46 1,52 4.313}
{0 CHEMBL602231,3 1,43 1,44 1,46 1,52 4}
{0 CHEMBL603479,3 1,44 1,46 1,52 4}
{0 CHEMBL60707,38 1,43 1,44 1,46 1,52 4.991}
{0 CHEMBL89067,44 1,46 1,52 4.74}
{0 CHEMBL95255,16 1,46 1,47 1,52 4.553}
{0 CHEMBL96952,16 1,43 1,44 1,46 1,47 1,52 4.921}