@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5812

@attribute molecule_id {CHEMBL1083969,CHEMBL1084249,CHEMBL1084521,CHEMBL1094197,CHEMBL1094850,CHEMBL1096801,CHEMBL1098763,CHEMBL1098764,CHEMBL2312414,CHEMBL2312415,CHEMBL2312428,CHEMBL2312430,CHEMBL2312431,CHEMBL2312432,CHEMBL483059}
@attribute BIC2 numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.ed. numeric
@attribute MATS3s numeric
@attribute MATS5s numeric
@attribute SM09_EA.bo. numeric
@attribute SM11_EA.bo. numeric
@attribute SM12_EA.bo. numeric
@attribute SM13_EA.bo. numeric
@attribute SM14_EA.bo. numeric
@attribute SM15_EA.bo. numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMax8_Bh.e. numeric
@attribute ATS3e numeric
@attribute ATS4e numeric
@attribute ATS4p numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5p numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS7i numeric
@attribute ATSC3p numeric
@attribute ATSC4i numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC7m numeric
@attribute ATSC7v numeric
@attribute CATS2D_06_DA numeric
@attribute Chi1_EA.dm. numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_EA.bo. numeric
@attribute Eta_C_A numeric
@attribute Eta_L numeric
@attribute GATS2e numeric
@attribute GATS3i numeric
@attribute GATS7v numeric
@attribute MATS2e numeric
@attribute MATS2s numeric
@attribute MATS3i numeric
@attribute MATS7v numeric
@attribute ON1V numeric
@attribute PW5 numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.v. numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute X1Per numeric
@attribute ATS1e numeric
@attribute C. numeric
@attribute C.024 numeric
@attribute CIC2 numeric
@attribute Eta_C numeric
@attribute GATS1m numeric
@attribute GATS5p numeric
@attribute MATS3e numeric
@attribute MATS5e numeric
@attribute MCD numeric
@attribute Mi numeric
@attribute Mp numeric
@attribute NaaCH numeric
@attribute nCbH numeric
@attribute PDI numeric
@attribute P_VSA_MR_6 numeric
@attribute SAtot numeric
@attribute SIC2 numeric
@attribute SM10_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute ATSC6e numeric
@attribute CATS2D_09_DL numeric
@attribute DLS_04 numeric
@attribute DLS_cons numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eta_B_A numeric
@attribute GATS4v numeric
@attribute GNar numeric
@attribute Infective.80 numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4v numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute SM02_AEA.ri. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM15_AEA.ri. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.p. numeric
@attribute MATS3v numeric
@attribute ATSC1e numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute MATS7e numeric
@attribute MATS7s numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR 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 ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5m numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e 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 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 ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7p numeric
@attribute ATSC7s 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 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.001 numeric
@attribute C.002 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.016 numeric
@attribute pXC50 numeric

@data
{1 0.729,2 2.956,3 2.601,4 1.473,5 2.096,6 1.085,7 3.6,8 -0.075,9 -0.174,10 13.723,11 16.54,12 18.003,13 19.362,14 20.803,15 22.19,16 1.556,17 2.942,18 4.664,19 4.74,20 3.979,21 4.694,22 4.812,23 3.919,24 4.562,25 4.663,26 4.565,27 7.96,28 1.237,29 1.109,30 19.455,31 0.959,32 16.303,33 7.441,34 13.269,35 6.733,36 3,37 26.147,38 1.669,39 2.489,40 1.392,41 0.698,42 5.475,43 0.488,44 1.24,45 1.19,46 0.159,47 0.081,48 -0.229,49 -0.179,50 2.404,51 0.108,52 2.974,53 2.746,54 2.752,55 0.84,56 1.122,57 1.107,58 189.486,59 229.46,60 238.215,61 7.116,62 3.933,63 50,64 10,65 1.153,66 21.652,67 0.56,68 0.841,69 -0.099,70 -0.211,71 0.677,72 1.107,73 0.731,74 10,75 10,76 0.969,77 131.543,78 495.484,79 0.789,80 15.232,81 0.273,82 1.08,83 3,84 0.4,85 0.77,86 3.63,87 2.967,88 2.252,89 2.979,90 2.45,91 6.121,92 2.374,93 1.583,94 1.952,95 2.367,96 0.944,97 0.032,98 0.982,99 2.027,100 1,101 -0.076,102 -0.085,103 -0.071,104 5.1,105 5.193,106 6.189,107 6.432,108 6.121,109 2.367,110 2.252,111 2.979,112 1.532,113 1.524,114 1.486,115 3.785,116 7.408,117 6.469,118 1.879,119 1.857,120 1.989,121 -0.109,122 0.249,123 0.922,124 1.134,125 -0.029,126 -0.02,127 1.738,128 11.129,129 3.225,130 10.401,131 109.506,132 9.928,133 0.529,134 3.997,135 3.712,136 3.54,137 5.299,138 3.566,139 4.381,140 4.454,141 4.141,142 3.936,143 5.863,144 3.95,145 4.771,146 4.267,147 4.053,148 6.115,149 4.073,150 4.86,151 4.261,152 6.337,153 4.022,154 4.175,155 6.327,156 3.959,157 4.19,158 3.853,159 6.355,160 3.873,161 4.437,162 3.871,163 3.788,164 5.927,165 3.755,166 4.39,167 4.546,168 3.77,169 3.669,170 5.734,171 3.634,172 0.565,173 4.141,174 3.49,175 38.123,176 2.988,177 0.465,178 0.89,179 6.526,180 5.59,181 64.472,182 5.387,183 0.665,184 1.149,185 15.245,186 100.613,187 7.54,188 0.989,189 17.883,190 8.126,191 147.283,192 6.956,193 1.096,194 8.317,195 200.506,196 6.901,197 191.112,198 6.771,199 0.669,200 0.875,201 6.855,202 112.024,203 0.601,204 0.832,205 16.698,206 6.924,207 98.634,208 7.312,209 51,210 50,211 0.294,212 0.566,213 0.883,214 0.917,215 0.924,216 3.472,217 0.821,218 -3.72,219 -3.68,220 -3.5,227 4.149}
{0 CHEMBL1084249,1 0.73,2 2.961,3 2.62,4 1.473,5 2.098,6 1.086,7 3.678,8 -0.052,9 -0.327,10 13.845,11 16.656,12 18.111,13 19.472,14 20.907,15 22.294,16 1.558,17 2.989,18 4.689,19 4.784,20 4.008,21 4.714,22 4.83,23 3.933,24 4.591,25 4.675,26 4.649,27 7.847,28 1.296,29 1.153,30 18.115,31 1.007,32 13.877,33 7.203,34 13.481,35 6.835,36 3,37 34.692,38 1.674,39 2.575,40 1.568,41 0.687,42 5.597,43 0.455,44 1.241,45 1.118,46 0.204,47 0.148,48 -0.227,49 -0.096,50 2.463,51 0.104,52 2.998,53 2.8,54 2.819,55 0.874,56 1.122,57 1.107,58 196.404,59 234.379,60 243.133,61 7.395,62 3.965,63 48.9,64 10,65 1.127,66 22.667,67 0.519,68 0.818,69 -0.131,70 -0.339,71 0.636,72 1.111,73 0.73,74 10,75 10,76 0.975,77 134.299,78 511.974,79 0.795,80 15.342,81 0.403,82 1.176,83 2,84 0.4,85 0.7,86 3.756,87 3.256,88 2.356,89 3.177,90 2.698,91 6.153,92 2.425,93 1.606,94 2,95 2.368,96 1,97 0.033,98 1.032,99 2.008,101 -0.084,102 -0.078,103 -0.07,104 5.176,105 5.293,106 6.251,107 6.536,108 6.153,109 2.368,110 2.356,111 3.177,112 1.534,113 1.528,114 1.493,115 3.819,116 7.428,117 7.408,118 1.914,119 1.888,120 2.025,121 -0.126,122 0.335,123 0.878,124 1.155,125 0.214,126 0.262,127 1.813,128 11.879,129 3.387,130 11.471,131 115.136,132 10.352,133 0.5,134 4.028,135 3.779,136 3.557,137 5.372,138 3.592,139 4.42,140 4.486,141 4.203,142 3.957,143 6.013,144 3.984,145 4.794,146 4.314,147 4.079,148 6.166,149 4.11,150 4.902,151 4.316,152 6.414,153 4.061,154 4.207,155 6.274,156 3.986,157 4.3,158 3.884,159 6.423,160 3.935,161 4.543,162 4.089,163 3.836,164 6.377,165 3.849,166 4.411,167 4.545,168 3.903,169 3.703,170 5.87,171 3.707,172 0.618,173 3.249,174 3.414,175 45.015,176 2.825,177 0.626,178 0.952,179 5.325,180 5.64,181 103.998,182 5.036,183 0.808,184 1.217,185 13.472,186 124.147,187 6.931,188 1.209,189 17.118,190 8.395,191 192.46,192 6.888,193 1.228,194 8.077,195 217.736,196 6.113,197 204.154,198 6.218,199 1.079,200 0.958,201 7.233,202 218.518,203 0.727,204 0.868,205 14.326,206 6.532,207 114.197,208 6.261,209 69,210 53,211 0.303,212 0.57,213 0.871,214 0.904,215 0.911,216 3.532,217 0.805,218 -4.35,219 -4.28,220 -4.04,227 4.201}
{0 CHEMBL1084521,1 0.742,2 2.831,3 2.5,4 1.3,5 2,6 1,7 3.414,8 -0.045,9 -0.277,10 13.675,11 16.481,12 17.944,13 19.296,14 20.736,15 22.119,16 1.538,17 2.985,18 4.718,19 4.813,20 4.047,21 4.75,22 4.897,23 3.956,24 4.568,25 4.678,26 4.62,27 8.709,28 1.332,29 1.187,30 23.593,31 0.994,32 17.608,33 7.409,34 14.52,35 7.726,36 4,37 32.443,38 1.623,39 2.49,40 1.392,41 0.729,42 5.955,43 0.545,44 1.253,45 1.114,46 0.129,47 0.055,48 -0.236,49 -0.127,50 2.572,51 0.104,52 2.995,53 2.789,54 2.807,55 0.867,56 1.12,57 1.107,58 208.337,59 242.311,60 249.066,61 7.456,62 3.988,63 48.9,64 10,65 1.122,66 23.343,67 0.574,68 0.819,69 -0.093,70 -0.3,71 0.656,72 1.109,73 0.722,74 10,75 10,76 0.964,77 134.728,78 522.212,79 0.798,80 15.184,81 0.309,82 1.039,83 5,84 0.4,85 0.75,86 3.63,87 2.961,88 2.281,89 2.979,90 2.569,91 6.153,92 2.412,93 1.5,94 1.952,95 2.275,96 0.944,97 0.03,98 1.023,99 2.026,100 1,101 -0.049,102 -0.107,103 -0.085,104 5.142,105 5.236,106 6.198,107 6.466,108 6.153,109 2.275,110 2.281,111 2.979,112 1.517,113 1.513,114 1.478,115 3.811,116 7.408,117 6.457,118 1.911,119 1.886,120 2.008,121 -0.112,122 0.229,123 1.089,124 1.088,125 0.043,126 0.045,127 1.722,128 12.375,129 2.888,130 8.341,131 114.628,132 9.593,133 0.514,134 4.058,135 3.74,136 3.59,137 5.321,138 3.608,139 4.453,140 4.538,141 4.158,142 3.989,143 5.892,144 3.993,145 4.837,146 4.279,147 4.118,148 6.118,149 4.121,150 4.951,151 4.265,152 6.364,153 4.064,154 4.125,155 6.209,156 3.969,157 4.201,158 3.88,159 6.319,160 3.893,161 4.488,162 3.961,163 3.864,164 5.939,165 3.834,166 4.534,167 4.673,168 3.929,169 3.775,170 6.076,171 3.759,172 0.607,173 5.131,174 3.858,175 36.127,176 3.523,177 0.495,178 0.965,179 9.212,180 6.313,181 70.052,182 6.334,183 0.575,184 1.232,185 17.364,186 86.533,187 8.77,188 0.96,189 21.414,190 9.197,191 135.887,192 8.799,193 0.978,194 9.204,195 174.967,196 8.345,197 174.819,198 7.13,199 0.57,200 0.942,201 7.308,202 95.677,203 0.81,204 0.939,205 19.022,206 7.739,207 146.387,208 7.671,209 54,210 51,211 0.288,212 0.598,213 0.863,214 0.887,215 0.894,216 3.502,217 0.835,218 -3.93,219 -3.88,220 -3.68,224 1,227 4.398}
{0 CHEMBL1094197,1 0.724,2 2.923,3 2.584,4 1.564,5 2.066,6 1.046,7 3.593,8 0.001,9 -0.109,10 13.724,11 16.513,12 17.955,13 19.31,14 20.734,15 22.114,16 1.546,17 3,18 4.919,19 4.986,20 4.067,21 4.856,22 5.04,23 3.958,24 4.783,25 4.959,26 4.927,27 9.937,28 1.512,29 1.358,30 26.707,31 1.256,32 24.127,33 7.956,34 23.921,35 9.788,36 2,37 33.389,38 1.683,39 2.47,40 1.319,41 0.768,42 6.975,43 0.704,44 1.207,45 1.166,46 0.044,47 0.061,48 -0.192,49 -0.162,50 2.95,51 0.102,52 3.048,53 2.808,54 2.824,55 0.894,56 1.185,57 1.175,58 243.975,59 251.975,60 255.975,61 8.202,62 4.157,63 41.8,64 4,65 1.345,66 26.868,67 0.757,68 1.035,69 -0.075,70 -0.068,71 0.571,72 1.127,73 0.668,74 4,75 4,76 0.921,77 80.173,78 589.513,79 0.767,80 15.203,81 0.241,82 1.064,83 4,84 0.2,85 0.41,86 3.655,87 2.924,88 2.336,89 2.983,90 2.419,91 5.515,92 2.418,93 1.464,94 1.975,95 2.616,96 0.961,97 0.032,98 1.031,99 2.008,101 -0.103,102 0.006,103 -0.08,104 5.004,105 4.949,106 6.149,107 6.435,108 5.515,109 2.616,110 2.336,111 2.983,112 1.51,113 1.509,114 1.44,115 3.569,116 6.525,117 6.402,118 1.931,119 1.924,120 2.041,121 -0.034,122 0.372,123 0.793,124 1.078,125 0.057,126 0.085,127 1.736,128 15.714,129 1.057,130 1.117,131 122.471,132 8.736,133 0.316,134 4.24,135 3.81,136 3.625,137 5.509,138 3.674,139 4.602,140 4.702,141 4.212,142 4.007,143 5.999,144 4.044,145 5.054,146 4.341,147 4.136,148 6.363,149 4.173,150 5.149,151 4.246,152 6.489,153 4.079,154 4.072,155 6.203,156 3.956,157 3.98,158 3.855,159 6.212,160 3.857,161 4.735,162 3.874,163 3.786,164 6.211,165 3.76,166 4.677,167 4.883,168 3.761,169 3.713,170 6.142,171 3.668,172 0.787,173 8.793,174 4.657,175 54.736,176 4.469,177 0.572,178 1.194,179 14.207,180 7.61,181 63.765,182 8.16,183 1.083,184 1.487,185 24.581,186 144.965,187 10.884,188 1.591,189 29.858,190 9.953,191 207.897,192 11.286,193 1.135,194 8.967,195 156.234,196 10.832,197 163.95,198 9.298,199 1.1,200 1.183,201 7.818,202 183.675,203 1.166,204 1.103,205 23.858,206 7.446,207 176.29,208 9.505,209 65,210 55,211 0.283,212 0.663,213 0.747,214 0.759,215 0.771,216 3.588,217 0.812,218 -1.28,219 -1.37,220 -1.43,222 1,224 2,226 2,227 4.127}
{0 CHEMBL1094850,1 0.724,2 2.858,3 2.558,4 1.458,5 1.975,6 0.963,7 3.422,8 0.052,9 -0.085,10 13.839,11 16.668,12 18.123,13 19.505,14 20.945,15 22.349,16 1.536,17 3.024,18 4.859,19 4.936,20 4.019,21 4.818,22 4.988,23 3.915,24 4.724,25 4.907,26 4.87,27 9.223,28 1.426,29 1.306,30 24.401,31 1.212,32 22.053,33 7.336,34 23.011,35 8.782,37 25.255,38 1.598,39 2.341,40 1.153,41 0.74,42 6.484,43 0.723,44 1.166,45 1.037,46 0.029,47 0.028,48 -0.147,49 -0.017,50 2.714,51 0.102,52 3.053,53 2.808,54 2.837,55 0.897,56 1.202,57 1.174,58 228.423,59 236.423,60 240.423,61 7.803,62 4.111,63 42.3,64 4,65 1.308,66 25.164,67 0.748,68 1.059,69 0.049,70 -0.126,71 0.588,72 1.126,73 0.673,74 4,75 4,76 0.922,77 80.173,78 563.436,79 0.771,80 15.328,81 0.247,82 1.008,83 4,84 0.2,85 0.41,86 3.544,87 2.861,88 2.22,89 2.842,90 2.338,91 5.497,92 2.338,93 1.397,94 1.854,95 2.146,96 0.844,97 0.032,98 1.056,99 2.008,101 -0.177,102 -0.033,103 -0.134,104 4.977,105 4.934,106 6.137,107 6.426,108 5.497,109 2.146,110 2.22,111 2.842,112 1.505,113 1.507,114 1.437,115 3.55,116 6.524,117 6.401,118 1.93,119 1.923,120 2.04,121 -0.029,122 0.394,123 0.764,124 1.035,125 0.146,126 0.127,127 1.755,128 14.882,129 0.994,130 0.989,131 117.605,132 8.97,133 0.324,134 4.19,135 3.784,136 3.576,137 5.488,138 3.634,139 4.543,140 4.634,141 4.192,142 3.957,143 5.963,144 4.006,145 4.977,146 4.364,147 4.088,148 6.383,149 4.144,150 5.074,151 4.264,152 6.502,153 4.06,154 4.055,155 6.262,156 3.923,157 3.902,158 3.787,159 6.15,160 3.788,161 4.666,162 3.821,163 3.682,164 6.185,165 3.666,166 4.52,167 4.716,168 3.715,169 3.606,170 5.947,171 3.589,172 0.748,173 7.806,174 4.323,175 57.252,176 3.874,177 0.587,178 1.128,179 12.137,180 6.987,181 66.146,182 7.077,183 1.173,184 1.406,185 21.278,186 147.188,187 9.648,188 1.62,189 26.227,190 9.177,191 211.375,192 9.298,193 1.167,194 8.51,195 171.353,196 9.615,197 167.787,198 8.449,199 1.183,200 1.11,201 6.983,202 180.368,203 0.903,204 0.955,205 19.49,206 6.574,207 133.82,208 8.249,209 65,210 54,211 0.289,212 0.664,213 0.75,214 0.762,215 0.762,216 3.56,217 0.795,218 -1.07,219 -1.17,220 -1.25,224 2,226 2,227 6.357}
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