@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4106

@attribute molecule_id {CHEMBL101874,CHEMBL109380,CHEMBL109429,CHEMBL109768,CHEMBL109871,CHEMBL109970,CHEMBL110060,CHEMBL110553,CHEMBL111144,CHEMBL111515,CHEMBL112091,CHEMBL112778,CHEMBL113209,CHEMBL113593,CHEMBL116247,CHEMBL116427,CHEMBL116483,CHEMBL116823,CHEMBL117002,CHEMBL118178,CHEMBL118421,CHEMBL118686,CHEMBL118719,CHEMBL119293,CHEMBL1203094,CHEMBL1203095,CHEMBL1203096,CHEMBL141337,CHEMBL141544,CHEMBL143596,CHEMBL143732,CHEMBL143837,CHEMBL143902,CHEMBL144073,CHEMBL144349,CHEMBL144696,CHEMBL144723,CHEMBL144812,CHEMBL145539,CHEMBL145567,CHEMBL146460,CHEMBL146651,CHEMBL14672,CHEMBL147879,CHEMBL148073,CHEMBL148625,CHEMBL154795,CHEMBL1639,CHEMBL1790136,CHEMBL1791097,CHEMBL1791099,CHEMBL1791102,CHEMBL1791105,CHEMBL1791110,CHEMBL1791112,CHEMBL1791113,CHEMBL1791114,CHEMBL1791119,CHEMBL1791120,CHEMBL1791121,CHEMBL1791125,CHEMBL1791126,CHEMBL1791129,CHEMBL1791135,CHEMBL2112251,CHEMBL2112252,CHEMBL2112253,CHEMBL2112254,CHEMBL2112255,CHEMBL2112256,CHEMBL2112257,CHEMBL2112258,CHEMBL2112259,CHEMBL2112260,CHEMBL2112261,CHEMBL2112262,CHEMBL2112263,CHEMBL2112264,CHEMBL2112265,CHEMBL2112266,CHEMBL2112267,CHEMBL2112268,CHEMBL2112269,CHEMBL2112270,CHEMBL2112271,CHEMBL2112272,CHEMBL2112836,CHEMBL2112837,CHEMBL2115235,CHEMBL21684,CHEMBL22505,CHEMBL22678,CHEMBL22888,CHEMBL23199,CHEMBL23232,CHEMBL23792,CHEMBL23793,CHEMBL245193,CHEMBL262375,CHEMBL262385,CHEMBL262668,CHEMBL262712,CHEMBL263246,CHEMBL263531,CHEMBL265300,CHEMBL266139,CHEMBL266334,CHEMBL267042,CHEMBL267277,CHEMBL267955,CHEMBL276372,CHEMBL276553,CHEMBL280543,CHEMBL280818,CHEMBL281134,CHEMBL28132,CHEMBL281531,CHEMBL282756,CHEMBL28408,CHEMBL284254,CHEMBL284922,CHEMBL285095,CHEMBL285207,CHEMBL285778,CHEMBL285884,CHEMBL286085,CHEMBL286147,CHEMBL28702,CHEMBL287265,CHEMBL287423,CHEMBL29041,CHEMBL29103,CHEMBL291719,CHEMBL292677,CHEMBL293196,CHEMBL29323,CHEMBL293328,CHEMBL294744,CHEMBL294999,CHEMBL296588,CHEMBL297628,CHEMBL299252,CHEMBL299870,CHEMBL300036,CHEMBL300337,CHEMBL300724,CHEMBL301528,CHEMBL303323,CHEMBL30920,CHEMBL311234,CHEMBL311504,CHEMBL312581,CHEMBL31259,CHEMBL31268,CHEMBL313063,CHEMBL314066,CHEMBL31420,CHEMBL314272,CHEMBL31438,CHEMBL314784,CHEMBL315211,CHEMBL315380,CHEMBL31550,CHEMBL315832,CHEMBL315835,CHEMBL316208,CHEMBL31621,CHEMBL316218,CHEMBL316414,CHEMBL31679,CHEMBL318242,CHEMBL31889,CHEMBL31910,CHEMBL31956,CHEMBL320726,CHEMBL321937,CHEMBL32239,CHEMBL323006,CHEMBL323967,CHEMBL324213,CHEMBL324384,CHEMBL324588,CHEMBL324624,CHEMBL324692,CHEMBL325119,CHEMBL325241,CHEMBL325329,CHEMBL325721,CHEMBL32575,CHEMBL325822,CHEMBL327069,CHEMBL330783,CHEMBL334254,CHEMBL342505,CHEMBL343681,CHEMBL344138,CHEMBL347171,CHEMBL34894,CHEMBL356144,CHEMBL356494,CHEMBL356719,CHEMBL356791,CHEMBL357864,CHEMBL357865,CHEMBL362209,CHEMBL382977,CHEMBL405227,CHEMBL405764,CHEMBL406692,CHEMBL407882,CHEMBL408554,CHEMBL418519,CHEMBL419481,CHEMBL420417,CHEMBL421050,CHEMBL421146,CHEMBL421776,CHEMBL430634,CHEMBL431217,CHEMBL431751,CHEMBL433013,CHEMBL433330,CHEMBL436607,CHEMBL441325,CHEMBL445118,CHEMBL445901,CHEMBL45727,CHEMBL50412,CHEMBL53139,CHEMBL540047,CHEMBL543448,CHEMBL545512,CHEMBL54677,CHEMBL550005,CHEMBL550066,CHEMBL550412,CHEMBL550673,CHEMBL551279,CHEMBL554630,CHEMBL557063,CHEMBL557064,CHEMBL560085,CHEMBL560486,CHEMBL561141,CHEMBL561342,CHEMBL561407,CHEMBL562605,CHEMBL562634,CHEMBL564448,CHEMBL56982,CHEMBL57492,CHEMBL58153,CHEMBL58256,CHEMBL58947,CHEMBL60535,CHEMBL60550,CHEMBL60610,CHEMBL81652,CHEMBL81941,CHEMBL82961,CHEMBL83600,CHEMBL84056,CHEMBL84106,CHEMBL84497,CHEMBL84607,CHEMBL84613,CHEMBL84744,CHEMBL8477,CHEMBL84879,CHEMBL84939,CHEMBL85046,CHEMBL85058,CHEMBL85253,CHEMBL85535,CHEMBL85625,CHEMBL85669,CHEMBL85672,CHEMBL85687,CHEMBL85836,CHEMBL85944,CHEMBL86225,CHEMBL86251,CHEMBL86374,CHEMBL8665,CHEMBL87389,CHEMBL88091,CHEMBL8836,CHEMBL8896,CHEMBL97865,CHEMBL98582}
@attribute SsNH2 numeric
@attribute ARR numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute NsNH2 numeric
@attribute BIC5 numeric
@attribute PCR numeric
@attribute BIC4 numeric
@attribute CATS2D_09_PL numeric
@attribute GATS7i numeric
@attribute SIC5 numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_06_AP numeric
@attribute N.066 numeric
@attribute nRNH2 numeric
@attribute CATS2D_09_DA numeric
@attribute NssNH numeric
@attribute SssNH numeric
@attribute X2A numeric
@attribute DBI numeric
@attribute SpMax1_Bh.v. numeric
@attribute IC2 numeric
@attribute CATS2D_04_DL numeric
@attribute SIC1 numeric
@attribute CATS2D_09_AP numeric
@attribute SIC3 numeric
@attribute GGI3 numeric
@attribute BIC1 numeric
@attribute SpMax1_Bh.e. numeric
@attribute BIC3 numeric
@attribute CIC1 numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP_A numeric
@attribute nAB numeric
@attribute piID numeric
@attribute piPC05 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute IC1 numeric
@attribute nBnz numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute P_VSA_MR_6 numeric
@attribute SpMax1_Bh.p. numeric
@attribute P_VSA_MR_7 numeric
@attribute H.053 numeric
@attribute X0A numeric
@attribute SIC2 numeric
@attribute MATS4e numeric
@attribute MATS4v numeric
@attribute IC3 numeric
@attribute GATS4v numeric
@attribute Eta_B numeric
@attribute piPC10 numeric
@attribute SM06_EA.bo. numeric
@attribute HNar numeric
@attribute nBM numeric
@attribute nCsp2 numeric
@attribute piPC06 numeric
@attribute Uc numeric
@attribute JGI1 numeric
@attribute Eta_betaP numeric
@attribute pXC50 numeric

@data
{2 0.186,3 1,8 0.859,9 1.134,10 0.854,12 1.124,13 0.878,18 5,19 6,20 16.166,21 0.315,22 8.185,23 3.88,24 4.674,25 14,26 0.48,28 0.813,29 4.535,30 0.47,31 3.999,32 0.796,33 3.601,34 0.978,35 0.353,36 11,37 8.741,38 5.511,39 5.799,40 5.768,41 3.329,42 1,43 9,44 1,45 107.974,46 3.883,47 16.786,49 0.754,50 0.674,51 -0.131,52 0.101,53 5.635,54 0.854,55 1.94,56 5.686,57 9.465,58 1.669,59 18,60 16,61 5.427,62 4.248,63 0.271,64 20.5,65 5}
{0 CHEMBL109380,1 5.984,2 0.211,3 2,4 1,5 1,6 1,7 1,8 0.864,9 1.161,10 0.864,11 2,12 1.019,13 0.883,14 2,15 1,18 1,19 5,20 13.825,21 0.312,22 7.246,23 3.885,24 5.064,25 13,26 0.51,27 1,28 0.856,29 4.063,30 0.499,31 4,32 0.837,33 3.367,34 0.986,35 0.364,36 12,37 9.089,38 5.673,39 5.821,40 5.931,41 3.503,42 1,43 10,44 1,45 114.559,46 3.889,47 33.571,49 0.74,50 0.737,51 -0.018,52 0.022,53 5.881,54 0.944,55 1.723,56 5.968,57 9.513,58 1.741,59 17,60 15,61 5.538,62 4.17,63 0.254,64 20,65 7.553}
{0 CHEMBL109429,1 5.996,2 0.214,3 2,4 1,5 1,6 1,7 1,8 0.855,9 1.171,10 0.855,11 2,12 1.037,13 0.873,14 2,15 1,18 3,19 5,20 13.811,21 0.318,22 7.681,23 3.881,24 4.998,25 17,26 0.505,27 1,28 0.836,29 4.375,30 0.495,31 3.994,32 0.82,33 3.414,34 0.977,35 0.364,36 12,37 9.007,38 5.649,39 5.783,40 5.84,41 3.481,42 1,43 10,44 1,45 114.559,46 3.884,47 33.571,49 0.754,50 0.725,51 -0.057,52 0.044,53 5.767,54 0.926,55 1.888,56 5.86,57 9.518,58 1.671,59 17,60 15,61 5.522,62 4.17,63 0.277,64 20,65 5.409}
{0 CHEMBL109768,1 5.975,2 0.214,3 2,4 1,5 1,6 1,7 1,8 0.863,9 1.163,10 0.863,11 2,12 1.038,13 0.882,14 2,15 1,18 1,19 5,20 13.644,21 0.313,22 7.106,23 3.882,24 5.119,25 13,26 0.518,27 1,28 0.858,29 3.938,30 0.507,31 3.996,32 0.839,33 3.292,34 0.995,35 0.37,36 12,37 9.072,38 5.659,39 5.789,40 5.897,41 3.54,42 1,43 10,44 1,45 114.559,46 3.887,47 33.571,49 0.738,50 0.749,51 -0.002,52 0.021,53 5.865,54 0.95,55 1.634,56 5.932,57 9.487,58 1.756,59 17,60 15,61 5.518,62 4.17,63 0.25,64 20,65 4.886}
{0 CHEMBL109871,1 5.964,2 0.203,3 6,4 1,5 1,6 1,7 1,8 0.861,9 1.161,10 0.861,11 2,12 0.997,13 0.882,14 2,15 1,18 6,19 4,20 10.6,21 0.315,22 7.517,23 3.938,24 5.285,25 12,26 0.532,27 1,28 0.864,29 4.938,30 0.519,31 4.067,32 0.843,33 3.223,34 1.022,35 0.404,36 12,37 9.155,38 5.69,39 5.86,40 6.047,41 3.659,42 1,43 10,44 1,45 114.987,46 4.043,47 39.617,49 0.743,50 0.768,51 0.155,52 0.037,53 5.948,54 0.936,55 1.927,56 6.02,57 9.97,58 1.727,59 19,60 15,61 5.591,62 4.322,63 0.28,64 23,65 5}
{0 CHEMBL109970,2 0.222,3 1,8 0.866,9 1.155,10 0.866,12 1.07,13 0.886,19 5,20 13.745,21 0.315,22 7.036,23 3.883,24 4.95,25 13,26 0.507,28 0.857,29 3.438,30 0.495,31 3.993,32 0.838,33 3.342,34 0.99,35 0.375,36 12,37 8.88,38 5.554,39 5.685,40 5.82,41 3.44,42 1,43 11,44 1,45 98.286,46 3.888,47 16.786,49 0.733,50 0.73,51 -0.008,52 0.057,53 5.815,54 0.903,55 1.439,56 5.806,57 9.301,58 1.788,59 17,60 16,61 5.31,62 4.17,63 0.231,64 19.5,65 5.187}
{0 CHEMBL110060,1 5.979,2 0.211,3 4,4 1,5 1,6 1,7 1,8 0.864,9 1.161,10 0.864,11 2,12 1.009,13 0.884,14 2,15 1,18 5,19 5,20 13.908,21 0.314,22 7.176,23 3.883,24 5.17,25 13,26 0.515,27 1,28 0.86,29 4.063,30 0.504,31 3.997,32 0.842,33 3.334,34 0.986,35 0.364,36 12,37 9.089,38 5.649,39 5.758,40 5.897,41 3.536,42 1,43 10,44 1,45 114.559,46 3.888,47 33.571,49 0.737,50 0.753,51 0.017,52 0.016,53 5.911,54 0.953,55 1.634,56 5.884,57 9.488,58 1.76,59 17,60 15,61 5.53,62 4.17,63 0.246,64 20,65 5.102}
{0 CHEMBL110553,1 5.985,2 0.203,3 4,4 1,5 1,6 1,7 1,8 0.879,9 1.15,10 0.879,11 2,12 0.957,13 0.9,14 2,15 1,18 5,19 5,20 14.199,21 0.304,22 6.708,23 3.885,24 5.361,25 10,26 0.527,27 1,28 0.877,29 3.625,30 0.515,31 4.001,32 0.856,33 3.25,34 1,35 0.357,36 12,37 9.184,38 5.7,39 5.806,40 5.956,41 3.621,42 1,43 10,44 1,45 112.072,46 3.889,47 33.571,49 0.722,50 0.78,51 -0.033,52 -0.052,53 6.024,54 1.026,55 1.332,56 5.97,57 9.459,58 1.846,59 17,60 15,61 5.576,62 4.17,63 0.195,64 20,65 5}
{0 CHEMBL111144,1 5.997,2 0.194,3 5,4 1,5 1,6 1,7 1,8 0.871,9 1.141,10 0.871,11 2,12 0.995,13 0.89,14 2,15 1,18 6,19 5,20 14.363,21 0.304,22 6.964,23 3.89,24 5.337,25 12,26 0.503,27 1,28 0.869,29 3.938,30 0.493,31 4.011,32 0.85,33 3.471,34 0.979,35 0.339,36 12,37 9.272,38 5.726,39 5.83,40 5.997,41 3.518,42 1,43 10,44 1,45 128.865,46 3.893,47 33.571,48 4,49 0.727,50 0.764,51 -0.016,52 -0.048,53 6.071,54 1.024,55 1.528,56 6.03,57 9.49,58 1.815,59 17,60 15,61 5.635,62 4.17,63 0.21,64 20,65 5}
{0 CHEMBL111515,1 5.999,2 0.211,3 4,4 1,5 1,6 1,7 1,8 0.857,9 1.169,10 0.857,11 2,12 1.011,13 0.874,14 2,15 1,18 5,19 5,20 14.072,21 0.318,22 7.746,23 3.882,24 5.08,25 17,26 0.503,27 1,28 0.841,29 4.5,30 0.493,31 3.995,32 0.825,33 3.446,34 0.969,35 0.357,36 12,37 9.025,38 5.638,39 5.752,40 5.84,41 3.484,42 1,43 10,44 1,45 114.559,46 3.885,47 33.571,49 0.753,50 0.733,51 -0.038,52 0.039,53 5.831,54 0.929,55 1.888,56 5.827,57 9.519,58 1.676,59 17,60 15,61 5.534,62 4.17,63 0.272,64 20,65 5.328}
{0 CHEMBL112091,1 5.985,2 0.211,3 4,4 1,5 1,6 1,7 1,8 0.867,9 1.159,10 0.867,11 2,12 1.01,13 0.885,14 2,15 1,18 3,19 4,20 11.387,21 0.314,22 7.176,23 3.885,24 5.285,25 14,26 0.525,27 1,28 0.864,29 4.063,30 0.515,31 3.995,32 0.847,33 3.269,34 0.95,35 0.336,36 12,37 9.073,38 5.624,39 5.719,40 5.846,41 3.613,42 1,43 10,44 1,45 109.854,46 3.892,47 33.571,49 0.737,50 0.768,51 0.033,52 0.026,53 5.948,54 0.951,55 1.634,56 5.876,57 9.452,58 1.76,59 16,60 14,61 5.495,62 4.087,63 0.246,64 18.5,65 4.137}
{0 CHEMBL112778,1 5.999,2 0.214,3 2,4 1,5 1,6 1,7 1,8 0.854,9 1.171,10 0.854,11 2,12 0.999,13 0.871,14 2,15 1,18 2,19 4,20 11.35,21 0.318,22 7.681,23 3.886,24 5.054,25 17,26 0.503,27 1,28 0.841,29 4.375,30 0.493,31 3.997,32 0.824,33 3.435,34 0.968,35 0.364,36 12,37 9.007,38 5.649,39 5.783,40 5.84,41 3.472,42 1,43 10,44 1,45 114.987,46 3.89,47 33.571,49 0.754,50 0.732,51 -0.056,52 0.039,53 5.806,54 0.931,55 1.888,56 5.86,57 9.518,58 1.671,59 17,60 15,61 5.522,62 4.17,63 0.277,64 20,65 5.097}
{0 CHEMBL113209,1 5.973,2 0.207,3 5,4 1,5 1,6 1,7 1,8 0.863,9 1.161,10 0.863,11 2,12 0.997,13 0.884,14 2,15 1,18 5,19 4,20 10.94,21 0.314,22 7.314,23 3.891,24 5.276,25 12,26 0.529,27 1,28 0.865,29 4.438,30 0.517,31 4.002,32 0.845,33 3.234,34 1,35 0.384,36 12,37 9.122,38 5.669,39 5.81,40 5.975,41 3.637,42 1,43 10,44 1,45 114.987,46 3.905,47 33.571,49 0.74,50 0.768,51 0.1,52 0.035,53 5.945,54 0.939,55 1.74,56 5.955,57 9.53,58 1.745,59 18,60 15,61 5.561,62 4.248,63 0.259,64 21.5,65 5}
{0 CHEMBL113593,1 5.985,2 0.211,3 4,4 1,5 1,6 1,7 1,8 0.867,9 1.159,10 0.867,11 2,12 1.01,13 0.885,14 2,15 1,18 3,19 4,20 11.387,21 0.314,22 7.176,23 3.885,24 5.285,25 14,26 0.525,27 1,28 0.864,29 4.063,30 0.515,31 3.995,32 0.847,33 3.269,34 0.95,35 0.336,36 12,37 9.073,38 5.624,39 5.719,40 5.846,41 3.613,42 1,43 10,44 1,45 109.854,46 3.892,47 33.571,49 0.737,50 0.768,51 0.033,52 0.026,53 5.948,54 0.951,55 1.634,56 5.876,57 9.452,58 1.76,59 16,60 14,61 5.495,62 4.087,63 0.246,64 18.5,65 4}
{0 CHEMBL116247,1 6.009,2 0.24,3 2,4 1,5 1,6 1,7 1,8 0.864,9 1.15,10 0.864,11 1,12 0.981,13 0.886,14 1,15 2,16 1,17 1,18 2,19 2,20 5.979,21 0.302,22 5.788,23 3.878,24 5.107,25 6,26 0.551,27 1,28 0.873,29 2.313,30 0.537,31 3.985,32 0.852,33 2.964,34 0.989,35 0.362,36 12,37 8.856,38 5.535,39 5.641,40 5.809,41 3.636,42 1,43 10,44 1,45 83.405,46 3.884,47 33.571,48 6,49 0.711,50 0.774,51 -0.109,52 0.035,53 5.765,54 0.914,55 0.941,56 5.879,57 9.144,58 1.918,59 15,60 13,61 5.315,62 4,63 0.17,64 17,65 5}
{0 CHEMBL116427,1 5.997,2 0.122,3 1,4 1,5 1,6 1,7 1,8 0.873,9 1.134,10 0.873,11 1,12 0.992,13 0.896,14 1,15 2,16 1,17 1,18 3,19 2,20 5.855,21 0.299,22 5.657,23 3.879,24 5.2,25 5,26 0.559,27 1,28 0.883,29 2.5,30 0.545,31 3.99,32 0.861,33 2.897,34 0.957,35 0.326,36 6,37 8.729,38 5.461,39 5.69,40 5.841,41 3.673,42 1,43 6,44 1,45 87.681,46 3.884,47 28.429,48 4,49 0.715,50 0.791,51 -0.097,52 0.029,53 5.801,54 0.918,55 1.03,56 5.883,57 9.057,58 1.89,59 12,60 14,61 5.341,62 3.7,63 0.184,64 15,65 5}
{0 CHEMBL116483,1 6.007,2 0.245,4 1,5 1,6 1,7 1,8 0.873,9 1.152,10 0.873,11 1,12 1.027,13 0.896,14 1,15 2,16 1,17 1,18 3,19 2,20 5.972,21 0.301,22 5.701,23 3.879,24 5.101,25 6,26 0.553,27 1,28 0.878,29 2.188,30 0.539,31 3.985,32 0.855,33 2.935,34 0.989,35 0.37,36 12,37 8.837,38 5.539,39 5.69,40 5.872,41 3.635,42 1,43 11,44 1,45 103.48,46 3.887,47 16.786,48 4,49 0.711,50 0.776,51 -0.094,52 0.033,53 5.767,54 0.92,55 0.941,56 5.911,57 9.142,58 1.917,59 15,60 14,61 5.327,62 4,63 0.173,64 17,65 5}
{0 CHEMBL116823,1 6.025,2 0.235,3 1,4 1,5 1,6 1,7 1,8 0.864,9 1.148,10 0.864,11 1,12 0.999,13 0.885,14 1,15 2,16 1,17 1,18 2,19 2,20 6.088,21 0.305,22 5.958,23 3.883,24 5.029,25 8,26 0.521,27 1,28 0.868,29 2.438,30 0.509,31 3.993,32 0.848,33 3.205,34 0.969,35 0.354,36 12,37 8.875,38 5.551,39 5.658,40 5.835,41 3.481,42 1,43 11,44 1,45 96.289,46 3.89,47 16.786,48 6,49 0.715,50 0.752,51 -0.088,52 0.051,53 5.803,54 0.897,55 1.085,56 5.905,57 9.156,58 1.895,59 15,60 14,61 5.335,62 4,63 0.186,64 17,65 5}
{0 CHEMBL117002,1 5.999,2 0.122,3 1,4 1,5 1,6 1,7 1,8 0.861,9 1.128,10 0.861,11 1,12 0.991,13 0.883,14 1,15 2,16 1,17 1,18 2,19 2,20 5.899,21 0.301,22 5.657,23 3.879,24 5.166,25 5,26 0.56,27 1,28 0.87,29 2.375,30 0.546,31 3.99,32 0.848,33 2.889,34 0.957,35 0.326,36 6,37 8.685,38 5.461,39 5.687,40 5.818,41 3.681,42 1,43 6,44 1,45 97.157,46 3.884,47 18.952,48 4,49 0.715,50 0.786,51 -0.06,52 0.029,53 5.717,54 0.922,55 1.047,56 5.91,57 9.051,58 1.89,59 12,60 14,61 5.36,62 3.7,63 0.194,64 15,65 5}
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