@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1075071

@attribute molecule_id {CHEMBL376897,CHEMBL568775,CHEMBL568870,CHEMBL569089,CHEMBL569212,CHEMBL569307,CHEMBL569712,CHEMBL569729,CHEMBL569760,CHEMBL569953,CHEMBL571121,CHEMBL571123,CHEMBL571341,CHEMBL576663,CHEMBL576707,CHEMBL583027,CHEMBL583051}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.008 numeric
@attribute C.011 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.034 numeric
@attribute C.040 numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.80 numeric
@attribute DLS_02 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute pXC50 numeric

@data
{1 1.446,2 8.87,3 -0.531,4 0.282,5 82.52,6 6.775,7 0.231,8 3.961,9 4.072,10 3.456,11 3.439,12 4.934,13 3.42,14 4.571,15 4.745,16 3.829,17 3.89,18 5.481,19 3.843,20 4.923,21 5.125,22 3.938,23 4.131,24 5.786,25 4.038,26 5.075,27 5.321,28 3.796,29 4.06,30 6.069,31 3.917,32 4.91,33 5.185,34 3.584,35 3.752,36 5.888,37 3.646,38 4.513,39 4.72,40 3.485,41 3.582,42 5.578,43 3.52,44 4.488,45 4.703,46 3.437,47 3.64,48 5.528,49 3.539,50 4.542,51 4.781,52 3.365,53 3.655,54 5.436,55 3.526,56 0.026,57 0.654,58 11.28,59 4.757,60 10.293,61 6.318,62 0.319,63 1.112,64 22.078,65 7.841,66 34.366,67 10.917,68 0.363,69 1.457,70 31.751,71 11.574,72 37.818,73 15.989,74 0.647,75 1.483,76 38.368,77 12.801,78 91.447,79 18.145,80 0.72,81 1.127,82 33.926,83 9.657,84 85.547,85 13.752,86 0.418,87 0.852,88 22.04,89 6.944,90 50.247,91 9.352,92 0.358,93 0.897,94 20.905,95 7.272,96 53.889,97 10.102,98 0.327,99 0.943,100 22.091,101 7.565,102 44.816,103 10.789,104 18,105 40,106 0.251,107 0.562,108 0.748,109 0.787,110 0.797,111 0.797,112 3.189,113 0.985,114 0.8,115 0.61,116 0.33,117 38.3,118 2,119 1,120 2,121 5,123 5,124 1,126 1,127 7,128 1,129 4,130 1,131 9,132 2,134 4,135 1,137 1,138 5,140 6,141 1,142 2,143 2,144 3,146 1,147 4,148 2,149 2,151 2,152 1,154 3,156 4,157 1,158 1,159 1,161 4,162 1,163 1,164 1,165 2,166 2,167 2,168 1,170 2,171 643,172 15.436,173 15.436,174 15.436,175 15.436,176 15.436,177 14.579,178 20.872,179 8.739,180 15.772,181 12.777,182 12.777,183 12.777,184 12.777,185 12.777,186 11.512,187 33.1,188 4.067,189 13.377,190 4.108,191 2.32,192 1.247,193 1.027,194 0.968,195 0.968,196 3.87,199 456,200 3.742,201 31.613,202 51.175,203 203.597,204 70.815,205 82.398,206 1.289,207 28.302,209 0.83,210 0.9,211 1,212 0.96,213 50.5,214 204,215 8.19}
{0 CHEMBL568775,1 1.271,2 8.154,3 3.778,4 14.272,5 103.611,6 6.113,7 0.379,8 4.128,9 4.258,10 3.538,11 3.659,12 5.01,13 3.598,14 4.755,15 4.95,16 3.951,17 4.131,18 5.546,19 4.047,20 5.128,21 5.359,22 4.048,23 4.35,24 5.945,25 4.214,26 5.279,27 5.537,28 4.087,29 4.375,30 6.122,31 4.239,32 5.219,33 5.463,34 4.013,35 4.349,36 6.072,37 4.218,38 5.107,39 5.354,40 3.823,41 4.287,42 5.872,43 4.111,44 5.006,45 5.275,46 3.738,47 4.16,48 5.729,49 3.989,50 4.987,51 5.253,52 3.602,53 4.129,54 5.708,55 3.942,56 0.075,57 0.792,58 14.625,59 6.086,60 10.117,61 8.522,62 0.187,63 1.389,64 27.227,65 10.451,66 15.79,67 15.009,68 0.446,69 1.824,70 39.091,71 15.199,72 40.928,73 21.467,74 0.42,75 1.97,76 45.334,77 16.711,78 54.649,79 23.464,80 0.513,81 1.851,82 43.156,83 15.722,84 56.499,85 21.77,86 0.357,87 1.75,88 37.715,89 14.959,90 37.658,91 21.151,92 0.252,93 1.586,94 33.758,95 13.111,96 31.265,97 18.933,98 0.31,99 1.565,100 33.35,101 12.467,102 35.226,103 18.201,104 10,105 43,106 0.21,107 0.475,108 0.66,109 0.786,110 0.815,111 0.815,112 3.306,113 1.076,114 -1.02,115 -1.12,116 -1.21,117 39.7,118 7,119 1,120 2,121 1,122 1,123 7,124 1,125 2,127 14,129 2,130 2,131 13,132 2,134 3,135 1,136 1,137 5,138 13,139 1,140 5,143 5,144 16,145 1,147 4,148 2,149 19,151 2,154 1,155 1,156 16,157 2,160 1,161 12,162 4,165 9,166 4,169 6,170 2,171 1012,172 17.495,173 17.495,174 17.495,175 17.495,176 17.495,177 16.252,178 18.009,179 10.197,180 17.654,181 14.3,182 14.3,183 14.3,184 14.3,185 14.3,186 12.475,187 26.632,188 4.762,189 14.609,190 4.587,191 2.983,192 1.862,193 1.1,194 0.923,195 0.923,196 3.995,198 1,199 461,200 3.391,202 145.681,203 176.085,206 1.243,207 19.466,209 1,210 1,211 1,212 1,213 54.5,214 212,215 6.33}
{0 CHEMBL568870,1 1.271,2 8.154,3 3.778,4 14.272,5 103.611,6 6.113,7 0.379,8 4.128,9 4.258,10 3.538,11 3.659,12 5.01,13 3.598,14 4.755,15 4.95,16 3.951,17 4.131,18 5.546,19 4.047,20 5.128,21 5.359,22 4.048,23 4.35,24 5.945,25 4.214,26 5.279,27 5.537,28 4.087,29 4.375,30 6.122,31 4.239,32 5.219,33 5.463,34 4.013,35 4.349,36 6.072,37 4.218,38 5.107,39 5.354,40 3.823,41 4.287,42 5.872,43 4.111,44 5.006,45 5.275,46 3.738,47 4.16,48 5.729,49 3.989,50 4.987,51 5.253,52 3.602,53 4.129,54 5.708,55 3.942,56 0.075,57 0.792,58 14.625,59 6.086,60 10.117,61 8.522,62 0.187,63 1.389,64 27.227,65 10.451,66 15.79,67 15.009,68 0.446,69 1.824,70 39.091,71 15.199,72 40.928,73 21.467,74 0.42,75 1.97,76 45.334,77 16.711,78 54.649,79 23.464,80 0.513,81 1.851,82 43.156,83 15.722,84 56.499,85 21.77,86 0.357,87 1.75,88 37.715,89 14.959,90 37.658,91 21.151,92 0.252,93 1.586,94 33.758,95 13.111,96 31.265,97 18.933,98 0.31,99 1.565,100 33.35,101 12.467,102 35.226,103 18.201,104 10,105 43,106 0.21,107 0.475,108 0.66,109 0.786,110 0.815,111 0.815,112 3.306,113 1.076,114 -1.02,115 -1.12,116 -1.21,117 39.7,118 7,119 1,120 2,121 1,122 1,123 7,124 1,125 2,127 14,129 2,130 2,131 13,132 2,134 3,135 1,136 1,137 5,138 13,139 1,140 5,143 5,144 16,145 1,147 4,148 2,149 19,151 2,154 1,155 1,156 16,157 2,160 1,161 12,162 4,165 9,166 4,169 6,170 2,171 1012,172 17.495,173 17.495,174 17.495,175 17.495,176 17.495,177 16.252,178 18.009,179 10.197,180 17.654,181 14.3,182 14.3,183 14.3,184 14.3,185 14.3,186 12.475,187 26.632,188 4.762,189 14.609,190 4.587,191 2.983,192 1.862,193 1.1,194 0.923,195 0.923,196 3.995,198 1,199 461,200 3.391,202 145.681,203 176.085,206 1.243,207 19.466,209 1,210 1,211 1,212 1,213 54.5,214 212,215 6.16}
{0 CHEMBL569089,1 1.271,2 8.154,3 3.778,4 14.272,5 103.611,6 6.113,7 0.379,8 4.128,9 4.258,10 3.538,11 3.659,12 5.01,13 3.598,14 4.755,15 4.95,16 3.951,17 4.131,18 5.546,19 4.047,20 5.128,21 5.359,22 4.048,23 4.35,24 5.945,25 4.214,26 5.279,27 5.537,28 4.087,29 4.375,30 6.122,31 4.239,32 5.219,33 5.463,34 4.013,35 4.349,36 6.072,37 4.218,38 5.107,39 5.354,40 3.823,41 4.287,42 5.872,43 4.111,44 5.006,45 5.275,46 3.738,47 4.16,48 5.729,49 3.989,50 4.987,51 5.253,52 3.602,53 4.129,54 5.708,55 3.942,56 0.075,57 0.792,58 14.625,59 6.086,60 10.117,61 8.522,62 0.187,63 1.389,64 27.227,65 10.451,66 15.79,67 15.009,68 0.446,69 1.824,70 39.091,71 15.199,72 40.928,73 21.467,74 0.42,75 1.97,76 45.334,77 16.711,78 54.649,79 23.464,80 0.513,81 1.851,82 43.156,83 15.722,84 56.499,85 21.77,86 0.357,87 1.75,88 37.715,89 14.959,90 37.658,91 21.151,92 0.252,93 1.586,94 33.758,95 13.111,96 31.265,97 18.933,98 0.31,99 1.565,100 33.35,101 12.467,102 35.226,103 18.201,104 10,105 43,106 0.21,107 0.475,108 0.66,109 0.786,110 0.815,111 0.815,112 3.306,113 1.076,114 -1.02,115 -1.12,116 -1.21,117 39.7,118 7,119 1,120 2,121 1,122 1,123 7,124 1,125 2,127 14,129 2,130 2,131 13,132 2,134 3,135 1,136 1,137 5,138 13,139 1,140 5,143 5,144 16,145 1,147 4,148 2,149 19,151 2,154 1,155 1,156 16,157 2,160 1,161 12,162 4,165 9,166 4,169 6,170 2,171 1012,172 17.495,173 17.495,174 17.495,175 17.495,176 17.495,177 16.252,178 18.009,179 10.197,180 17.654,181 14.3,182 14.3,183 14.3,184 14.3,185 14.3,186 12.475,187 26.632,188 4.762,189 14.609,190 4.587,191 2.983,192 1.862,193 1.1,194 0.923,195 0.923,196 3.995,198 1,199 461,200 3.391,202 145.681,203 176.085,206 1.243,207 19.466,209 1,210 1,211 1,212 1,213 54.5,214 212,215 5}
{0 CHEMBL569212,1 1.292,2 8.08,3 5.133,4 26.344,5 100.813,6 6.287,7 0.393,8 4.062,9 4.186,10 3.495,11 3.613,12 4.966,13 3.555,14 4.674,15 4.861,16 3.886,17 4.062,18 5.499,19 3.978,20 5.02,21 5.255,22 3.971,23 4.23,24 5.86,25 4.106,26 5.11,27 5.346,28 4.025,29 4.254,30 6.009,31 4.143,32 5.103,33 5.333,34 3.962,35 4.271,36 5.984,37 4.15,38 5.042,39 5.286,40 3.787,41 4.229,42 5.832,43 4.06,44 4.945,45 5.216,46 3.649,47 4.095,48 5.661,49 3.917,50 4.877,51 5.154,52 3.455,53 4,54 5.571,55 3.803,56 0.064,57 0.732,58 13.288,59 5.727,60 9.506,61 7.861,62 0.153,63 1.277,64 24.715,65 9.8,66 15.94,67 13.818,68 0.43,69 1.63,70 35.13,71 13.469,72 40.36,73 18.915,74 0.374,75 1.704,76 38.711,77 14.284,78 49.407,79 19.705,80 0.456,81 1.689,82 38.639,83 14.274,84 51.773,85 19.499,86 0.348,87 1.652,88 35.513,89 14.071,90 38.836,91 19.758,92 0.239,93 1.504,94 31.872,95 12.43,96 29.372,97 17.914,98 0.267,99 1.413,100 29.88,101 11.176,102 30.795,103 16.382,104 5,105 40,106 0.217,107 0.489,108 0.669,109 0.806,110 0.838,111 0.838,112 3.269,113 1.048,114 -4.49,115 -4.41,116 -4.16,117 40.7,118 7,119 1,120 1,121 1,122 1,123 7,124 1,125 2,127 14,129 4,130 2,131 13,133 1,134 4,136 1,137 5,138 13,140 6,143 5,144 16,147 4,148 2,149 19,151 4,153 1,154 1,156 16,159 4,160 1,161 12,163 4,165 9,167 2,169 6,171 944,172 17.178,173 17.178,174 17.178,175 17.178,176 17.178,177 15.934,178 17.599,179 10.184,180 17.312,181 13.812,182 13.812,183 13.812,184 13.812,185 13.812,186 11.984,187 25.782,188 4.772,189 14.052,190 4.463,191 2.837,192 1.763,193 0.945,194 0.755,195 0.755,196 3.962,198 1,199 442,200 3,202 139.97,203 168.984,206 1.21,207 18.86,209 1,210 1,211 1,212 1,213 52.5,214 202,215 5}
{0 CHEMBL569307,1 1.271,2 8.154,3 3.778,4 14.272,5 103.611,6 6.113,7 0.379,8 4.128,9 4.258,10 3.538,11 3.659,12 5.01,13 3.598,14 4.755,15 4.95,16 3.951,17 4.131,18 5.546,19 4.047,20 5.128,21 5.359,22 4.048,23 4.35,24 5.945,25 4.214,26 5.279,27 5.537,28 4.087,29 4.375,30 6.122,31 4.239,32 5.219,33 5.463,34 4.013,35 4.349,36 6.072,37 4.218,38 5.107,39 5.354,40 3.823,41 4.287,42 5.872,43 4.111,44 5.006,45 5.275,46 3.738,47 4.16,48 5.729,49 3.989,50 4.987,51 5.253,52 3.602,53 4.129,54 5.708,55 3.942,56 0.075,57 0.792,58 14.625,59 6.086,60 10.117,61 8.522,62 0.187,63 1.389,64 27.227,65 10.451,66 15.79,67 15.009,68 0.446,69 1.824,70 39.091,71 15.199,72 40.928,73 21.467,74 0.42,75 1.97,76 45.334,77 16.711,78 54.649,79 23.464,80 0.513,81 1.851,82 43.156,83 15.722,84 56.499,85 21.77,86 0.357,87 1.75,88 37.715,89 14.959,90 37.658,91 21.151,92 0.252,93 1.586,94 33.758,95 13.111,96 31.265,97 18.933,98 0.31,99 1.565,100 33.35,101 12.467,102 35.226,103 18.201,104 10,105 43,106 0.21,107 0.475,108 0.66,109 0.786,110 0.815,111 0.815,112 3.306,113 1.076,114 -1.02,115 -1.12,116 -1.21,117 39.7,118 7,119 1,120 2,121 1,122 1,123 7,124 1,125 2,127 14,129 2,130 2,131 13,132 2,134 3,135 1,136 1,137 5,138 13,139 1,140 5,143 5,144 16,145 1,147 4,148 2,149 19,151 2,154 1,155 1,156 16,157 2,160 1,161 12,162 4,165 9,166 4,169 6,170 2,171 1012,172 17.495,173 17.495,174 17.495,175 17.495,176 17.495,177 16.252,178 18.009,179 10.197,180 17.654,181 14.3,182 14.3,183 14.3,184 14.3,185 14.3,186 12.475,187 26.632,188 4.762,189 14.609,190 4.587,191 2.983,192 1.862,193 1.1,194 0.923,195 0.923,196 3.995,198 1,199 461,200 3.391,202 145.681,203 176.085,206 1.243,207 19.466,209 1,210 1,211 1,212 1,213 54.5,214 212,215 7.75}
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