@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4802

@attribute molecule_id {CHEMBL101766,CHEMBL1086858,CHEMBL1086859,CHEMBL1087746,CHEMBL1161008,CHEMBL1162876,CHEMBL1162881,CHEMBL1169415,CHEMBL1169416,CHEMBL1169417,CHEMBL1169420,CHEMBL1169421,CHEMBL1169422,CHEMBL1169423,CHEMBL1169424,CHEMBL1169425,CHEMBL1169426,CHEMBL1169427,CHEMBL1169428,CHEMBL1169429,CHEMBL1169430,CHEMBL1169433,CHEMBL1169434,CHEMBL1202117,CHEMBL1204422,CHEMBL1222609,CHEMBL1222610,CHEMBL1222675,CHEMBL1222676,CHEMBL1222677,CHEMBL1222678,CHEMBL1222745,CHEMBL1222746,CHEMBL1222747,CHEMBL1230380,CHEMBL1230381,CHEMBL1233717,CHEMBL126713,CHEMBL1269103,CHEMBL1269105,CHEMBL1269154,CHEMBL1269155,CHEMBL1269156,CHEMBL1270460,CHEMBL1277419,CHEMBL1277420,CHEMBL1277601,CHEMBL1277602,CHEMBL1277693,CHEMBL1277694,CHEMBL1277787,CHEMBL1278131,CHEMBL1485,CHEMBL160026,CHEMBL161001,CHEMBL1614783,CHEMBL1615287,CHEMBL1615288,CHEMBL1615289,CHEMBL1615290,CHEMBL1615291,CHEMBL1615292,CHEMBL161697,CHEMBL163165,CHEMBL163217,CHEMBL163811,CHEMBL164412,CHEMBL1766628,CHEMBL1766629,CHEMBL1766631,CHEMBL1766633,CHEMBL1788374,CHEMBL1824855,CHEMBL1824856,CHEMBL1824857,CHEMBL1824858,CHEMBL1824859,CHEMBL1831025,CHEMBL1831026,CHEMBL1956738,CHEMBL1956739,CHEMBL1956740,CHEMBL1956741,CHEMBL2092928,CHEMBL226390,CHEMBL226445,CHEMBL227744,CHEMBL228077,CHEMBL2326356,CHEMBL2326357,CHEMBL2326358,CHEMBL2326359,CHEMBL2326360,CHEMBL2326361,CHEMBL2332789,CHEMBL2332790,CHEMBL2332791,CHEMBL2332792,CHEMBL2332793,CHEMBL2332794,CHEMBL247378,CHEMBL256147,CHEMBL262040,CHEMBL296102,CHEMBL297095,CHEMBL297096,CHEMBL297207,CHEMBL311541,CHEMBL312870,CHEMBL312899,CHEMBL329883,CHEMBL333229,CHEMBL340224,CHEMBL346781,CHEMBL348164,CHEMBL348768,CHEMBL349700,CHEMBL350765,CHEMBL351438,CHEMBL351833,CHEMBL352122,CHEMBL352160,CHEMBL354705,CHEMBL375895,CHEMBL375949,CHEMBL413545,CHEMBL419740,CHEMBL420637,CHEMBL42093,CHEMBL427286,CHEMBL442999,CHEMBL446971,CHEMBL450583,CHEMBL45132,CHEMBL451541,CHEMBL469987,CHEMBL470193,CHEMBL474637,CHEMBL479014,CHEMBL479469,CHEMBL479666,CHEMBL479667,CHEMBL480247,CHEMBL480254,CHEMBL480255,CHEMBL480418,CHEMBL480419,CHEMBL481815,CHEMBL481816,CHEMBL484298,CHEMBL512136,CHEMBL517995,CHEMBL520772,CHEMBL526688,CHEMBL538500,CHEMBL539004,CHEMBL541300,CHEMBL541555,CHEMBL542183,CHEMBL542185,CHEMBL542633,CHEMBL543616,CHEMBL544052,CHEMBL551721,CHEMBL552629,CHEMBL553081,CHEMBL554323,CHEMBL554676,CHEMBL559220,CHEMBL563369,CHEMBL607146,CHEMBL66682,CHEMBL7890,CHEMBL88166,CHEMBL88177,CHEMBL88665,CHEMBL88696,CHEMBL89454,CHEMBL91256,CHEMBL94723,CHEMBL96680,CHEMBL98086}
@attribute P_VSA_e_3 numeric
@attribute P_VSA_i_4 numeric
@attribute Eig05_EA.dm. numeric
@attribute C.008 numeric
@attribute nN numeric
@attribute ATSC1e numeric
@attribute nCrs numeric
@attribute ATSC3s numeric
@attribute nHet numeric
@attribute ATSC4e numeric
@attribute nCs numeric
@attribute ATSC3e numeric
@attribute nRCONH2 numeric
@attribute nHAcc numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_v_2 numeric
@attribute SAacc numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute SdO numeric
@attribute Me numeric
@attribute ATSC2s numeric
@attribute P_VSA_s_6 numeric
@attribute X0Av numeric
@attribute ATSC8s numeric
@attribute SpMax6_Bh.s. numeric
@attribute GATS2e numeric
@attribute Eta_alpha_A numeric
@attribute ATSC4s numeric
@attribute SpMax7_Bh.s. numeric
@attribute ATSC5e numeric
@attribute AAC numeric
@attribute IC0 numeric
@attribute ATSC1s numeric
@attribute ATSC5s numeric
@attribute CATS2D_06_AP numeric
@attribute N.072 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_A numeric
@attribute Eta_epsi_A numeric
@attribute Eig02_EA.dm. numeric
@attribute ATSC7s numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_08_DA numeric
@attribute cRo5 numeric
@attribute DLS_01 numeric
@attribute Eig04_EA.dm. numeric
@attribute O.058 numeric
@attribute TIE numeric
@attribute MATS6s numeric
@attribute CATS2D_06_DP numeric
@attribute P_VSA_m_3 numeric
@attribute SM02_EA.dm. numeric
@attribute SpAD_EA.dm. numeric
@attribute Eig07_EA.dm. numeric
@attribute P_VSA_s_4 numeric
@attribute ATSC8e numeric
@attribute NsssCH numeric
@attribute nDB numeric
@attribute SpMax5_Bh.s. numeric
@attribute Eig06_EA.dm. numeric
@attribute nO numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMax4_Bh.s. numeric
@attribute GATS2p numeric
@attribute pXC50 numeric

@data
{1 174.934,2 174.934,3 0.617,4 2,5 8,6 0.286,8 115.738,9 12,10 0.994,11 5,12 0.786,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.655,21 1.025,22 91.645,23 249.411,24 0.564,25 128.625,26 5.009,27 0.481,28 0.436,29 156.482,30 4.98,31 1.141,32 1.723,33 1.723,34 33.61,35 209.753,36 2,37 2,38 8.572,39 3.072,40 0.629,41 2,42 145.454,43 3,44 5,46 0.5,47 1.2,48 2,49 183.522,50 -0.044,51 2,52 101.037,53 3.218,54 15.907,55 0.086,56 17.068,57 0.821,58 2,59 5,60 5.13,61 0.129,62 4,63 0.723,64 6.999,65 1.342,66 4.022}
{0 CHEMBL1086858,1 85.704,2 115.624,4 2,5 4,6 0.058,7 1,8 71.394,9 7,10 0.46,11 3,12 0.623,14 7,15 96.704,16 126.624,17 126.624,18 72.2,19 72.2,21 1.004,22 36.345,23 90.603,24 0.576,25 67.148,26 4.543,27 0.954,28 0.464,29 65.906,30 4.257,31 0.76,32 1.578,33 1.578,34 13.508,35 115.196,38 7.887,39 2.387,40 0.582,41 0.86,42 51.659,43 1,44 1,45 1,46 1,47 0.4,49 68.09,50 0.026,52 40.92,53 1.643,54 5.347,56 65.683,57 0.573,58 3,60 4.61,62 1,63 0.178,64 4.662,65 1.119,66 4.444}
{0 CHEMBL1086859,1 85.704,2 130.585,4 1,5 4,6 0.108,7 1,8 96.341,9 8,10 0.717,11 3,12 0.862,14 8,15 96.704,16 141.584,17 141.584,18 72.2,19 72.2,21 1.014,22 79.493,23 105.563,24 0.566,25 92.55,26 4.6,27 0.792,28 0.458,29 100.935,30 4.543,31 1.134,32 1.64,33 1.64,34 22.185,35 177.743,38 8.078,39 2.578,40 0.609,41 0.86,42 65.563,43 1,44 1,45 1,46 1,47 0.4,49 81.519,50 0.023,52 55.88,53 2.467,54 8.07,56 65.683,57 0.747,58 2,60 4.659,62 1,63 0.26,64 5.163,65 1.12,66 4.208}
{0 CHEMBL1087746,1 85.704,2 100.664,4 1,5 4,6 0.042,7 1,8 55.561,9 7,10 0.505,11 2,12 0.6,14 7,15 107.704,16 122.664,17 122.664,18 81.43,19 81.43,21 1.001,22 32.96,23 86.643,24 0.582,25 48.227,26 4.337,27 1.084,28 0.466,29 54.361,30 4.202,31 0.447,32 1.568,33 1.568,34 10.191,35 50.506,38 7.732,39 2.232,40 0.571,41 0.86,42 51.812,43 1,44 1,45 1,46 1,47 0.4,49 55.263,50 -0.008,52 36.96,53 1.526,54 5.04,56 65.683,57 0.465,58 2,60 4.544,62 2,63 0.168,64 4.651,65 1.128,66 4.678}
{0 CHEMBL1161008,1 100.591,2 100.591,3 0.119,4 1,5 4,6 0.056,8 54.124,9 5,10 0.288,11 3,12 0.288,14 5,15 125.736,16 125.736,17 125.736,18 93.5,19 93.5,20 10.804,21 0.994,22 23.729,23 123.492,24 0.613,25 36.38,26 3.875,27 0.686,28 0.462,29 49.525,30 3.749,31 0.237,32 1.482,33 1.482,34 12.27,35 42.599,38 8.044,39 2.544,40 0.539,41 1.24,42 25.819,43 1,44 2,45 1,46 1,47 0.156,48 1,49 53.596,50 -0.037,52 25.145,53 2.513,54 8.599,56 18.301,57 0.215,58 1,59 3,60 4.271,62 1,63 0.614,64 4.71,65 1.342,66 5.509}
{0 CHEMBL1162876,1 50.969,2 50.969,5 3,6 0.016,8 28.434,9 4,10 0.351,12 0.122,14 4,15 76.114,16 76.114,17 76.114,18 58.15,19 58.15,20 12.898,21 0.994,22 14.753,23 72.99,24 0.559,25 29.11,26 4.276,27 0.782,28 0.483,29 66.362,30 3.926,31 0.196,32 1.404,33 1.404,34 8.695,35 41.613,38 7.741,39 2.241,40 0.578,41 1.277,42 34.168,45 1,46 1,47 0.521,48 1,49 44.064,50 0.056,52 25.145,53 2.704,54 9.732,56 115.759,57 0.086,58 1,59 4,60 4.539,62 1,63 0.324,64 4.776,65 0.905,66 4.921}
{0 CHEMBL1162881,1 19.91,2 19.91,5 2,6 0.019,8 27.467,9 4,10 0.371,12 0.158,14 4,15 56.055,16 56.055,17 56.055,18 43.59,19 43.59,20 12.918,21 0.994,22 19.084,23 52.93,24 0.576,25 24.383,26 4.274,27 1.073,28 0.48,29 59.368,30 3.925,31 0.198,32 1.408,33 1.408,34 6.946,35 36.431,38 7.63,39 2.13,40 0.568,41 1.032,42 30.752,45 1,46 1,47 0.521,48 1,49 41.483,50 0.083,52 36.145,53 2.097,54 7.382,56 126.642,57 0.105,58 1,59 4,60 4.314,62 2,63 0.246,64 4.666,65 0.858,66 4.222}
{0 CHEMBL1169415,1 187.554,2 187.554,3 0.454,4 2,5 9,6 0.302,7 3,8 142.905,9 13,10 1.047,11 6,12 0.897,13 1,14 11,15 288.591,16 288.591,17 267.728,18 217.18,19 217.18,20 44.053,21 1.033,22 100.44,23 247.144,24 0.54,25 146.137,26 5.13,27 0.443,28 0.437,29 179.627,30 4.882,31 1.088,32 1.789,33 1.789,34 37.694,35 211.15,36 2,37 1,38 8.54,39 3.04,40 0.662,41 2,42 160.608,43 1,44 4,46 0.5,47 1.2,48 2,49 118.769,50 -0.11,51 1,52 101.037,53 3.24,54 15.772,56 5.548,57 0.885,58 3,59 7,60 6.727,61 0.129,62 4,63 0.631,64 6.999,65 1.445,66 4}
{0 CHEMBL1169416,1 187.554,2 187.554,3 0.454,4 2,5 9,6 0.302,7 3,8 142.905,9 13,10 1.047,11 6,12 0.897,13 1,14 11,15 288.591,16 288.591,17 267.728,18 217.18,19 217.18,20 44.053,21 1.033,22 100.44,23 247.144,24 0.54,25 146.137,26 5.13,27 0.443,28 0.437,29 179.627,30 4.882,31 1.088,32 1.789,33 1.789,34 37.694,35 211.15,36 2,37 1,38 8.54,39 3.04,40 0.662,41 2,42 160.608,43 1,44 4,46 0.5,47 1.2,48 2,49 118.769,50 -0.11,51 1,52 101.037,53 3.24,54 15.772,56 5.548,57 0.885,58 3,59 7,60 6.727,61 0.129,62 4,63 0.631,64 6.999,65 1.445,66 4}
{0 CHEMBL1169417,1 174.934,2 174.934,3 0.617,4 3,5 8,6 0.293,7 3,8 128.543,9 12,10 1.036,11 6,12 0.865,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.83,21 1.029,22 92.739,23 249.411,24 0.546,25 121.892,26 5.01,27 0.455,28 0.436,29 171.159,30 4.978,31 1.076,32 1.755,33 1.755,34 36.998,35 208.355,36 1,37 2,38 8.543,39 3.043,40 0.644,41 2,42 138.032,43 4,44 5,46 0.5,47 1.2,48 2,49 105.5,50 -0.083,51 4,52 101.037,53 3.218,54 15.907,55 0.086,56 8.672,57 0.784,58 3,59 5,60 5.13,61 0.129,62 4,63 0.692,64 6.999,65 1.408,66 4}
{0 CHEMBL1169420,1 160.048,2 204.928,3 1.5,4 3,5 8,6 0.473,7 3,8 288.022,9 16,10 1.723,11 6,12 1.71,13 1,14 15,15 286.23,16 331.11,17 325.562,18 214.75,19 214.75,20 55.377,21 1.061,22 238.104,23 286.539,24 0.518,25 405.865,26 7.425,27 0.419,28 0.422,29 308.712,30 7.42,31 1.941,32 2.03,33 2.03,34 83.832,35 361.395,36 1,37 3,38 9.032,39 3.532,40 0.74,41 2.006,42 320.968,43 4,44 6,46 0.5,47 1.915,48 3,49 188.828,50 -0.17,51 3,52 171.062,53 3.929,54 26.982,55 0.617,56 8.672,57 2.056,58 3,59 6,60 7.438,61 1.2,62 5,63 0.93,64 7.818,65 1.339,66 4}
{0 CHEMBL1169421,1 160.048,2 204.928,3 1.5,4 3,5 8,6 0.473,7 3,8 288.022,9 16,10 1.723,11 6,12 1.71,13 1,14 15,15 286.23,16 331.11,17 325.562,18 214.75,19 214.75,20 55.377,21 1.061,22 238.104,23 286.539,24 0.518,25 405.865,26 7.425,27 0.419,28 0.422,29 308.712,30 7.42,31 1.941,32 2.03,33 2.03,34 83.832,35 361.395,36 1,37 3,38 9.032,39 3.532,40 0.74,41 2.006,42 320.968,43 4,44 6,46 0.5,47 1.915,48 3,49 188.828,50 -0.17,51 3,52 171.062,53 3.929,54 26.982,55 0.617,56 8.672,57 2.056,58 3,59 6,60 7.438,61 1.2,62 5,63 0.93,64 7.818,65 1.339,66 4}
{0 CHEMBL1169422,1 160.048,2 204.928,3 1.5,4 3,5 8,6 0.473,7 3,8 288.022,9 16,10 1.723,11 6,12 1.71,13 1,14 15,15 286.23,16 331.11,17 325.562,18 214.75,19 214.75,20 55.377,21 1.061,22 238.104,23 286.539,24 0.518,25 405.865,26 7.425,27 0.419,28 0.422,29 308.712,30 7.42,31 1.941,32 2.03,33 2.03,34 83.832,35 361.395,36 1,37 3,38 9.032,39 3.532,40 0.74,41 2.006,42 320.968,43 4,44 6,46 0.5,47 1.915,48 3,49 188.828,50 -0.17,51 3,52 171.062,53 3.929,54 26.982,55 0.617,56 8.672,57 2.056,58 3,59 6,60 7.438,61 1.2,62 5,63 0.93,64 7.818,65 1.339,66 4}
{0 CHEMBL1169423,1 205.565,2 205.565,3 0.47,4 3,5 10,6 0.327,7 3,8 138.395,9 14,10 1.093,11 6,12 0.994,13 1,14 12,15 306.602,16 306.602,17 285.739,18 229.21,19 229.21,20 43.86,21 1.039,22 98.301,23 247.144,24 0.532,25 143.773,26 5.13,27 0.461,28 0.433,29 170.628,30 4.884,31 1.144,32 1.809,33 1.809,34 38.815,35 205.611,36 2,37 2,38 8.58,39 3.08,40 0.679,41 1.978,42 164.347,43 3,44 5,46 0.5,47 1.2,48 2,49 112.482,50 -0.127,51 2,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.933,58 3,59 7,60 6.727,61 0.224,62 4,63 0.633,64 6.999,65 1.482,66 4}
{0 CHEMBL1169424,1 205.565,2 205.565,3 0.47,4 3,5 10,6 0.327,7 3,8 138.395,9 14,10 1.093,11 6,12 0.994,13 1,14 12,15 306.602,16 306.602,17 285.739,18 229.21,19 229.21,20 43.86,21 1.039,22 98.301,23 247.144,24 0.532,25 143.773,26 5.13,27 0.461,28 0.433,29 170.628,30 4.884,31 1.144,32 1.809,33 1.809,34 38.815,35 205.611,36 2,37 2,38 8.58,39 3.08,40 0.679,41 1.978,42 164.347,43 3,44 5,46 0.5,47 1.2,48 2,49 112.482,50 -0.127,51 2,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.933,58 3,59 7,60 6.727,61 0.224,62 4,63 0.633,64 6.999,65 1.482,66 4}
{0 CHEMBL1169425,1 160.048,2 204.928,3 1.5,4 3,5 8,6 0.473,7 3,8 288.022,9 16,10 1.723,11 6,12 1.71,13 1,14 15,15 286.23,16 331.11,17 325.562,18 214.75,19 214.75,20 55.377,21 1.061,22 238.104,23 286.539,24 0.518,25 405.865,26 7.425,27 0.419,28 0.422,29 308.712,30 7.42,31 1.941,32 2.03,33 2.03,34 83.832,35 361.395,36 1,37 3,38 9.032,39 3.532,40 0.74,41 2.006,42 320.968,43 4,44 6,46 0.5,47 1.915,48 3,49 188.828,50 -0.17,51 3,52 171.062,53 3.929,54 26.982,55 0.617,56 8.672,57 2.056,58 3,59 6,60 7.438,61 1.2,62 5,63 0.93,64 7.818,65 1.339,66 4}
{0 CHEMBL1169426,1 174.934,2 174.934,3 0.617,4 3,5 8,6 0.293,7 3,8 128.543,9 12,10 1.036,11 6,12 0.865,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.83,21 1.029,22 92.739,23 249.411,24 0.546,25 121.892,26 5.01,27 0.455,28 0.436,29 171.159,30 4.978,31 1.076,32 1.755,33 1.755,34 36.998,35 208.355,36 1,37 2,38 8.543,39 3.043,40 0.644,41 2,42 138.032,43 4,44 5,46 0.5,47 1.2,48 2,49 105.5,50 -0.083,51 4,52 101.037,53 3.218,54 15.907,55 0.086,56 8.672,57 0.784,58 3,59 5,60 5.13,61 0.129,62 4,63 0.692,64 6.999,65 1.408,66 4}
{0 CHEMBL1169427,1 174.934,2 174.934,3 0.617,4 3,5 8,6 0.293,7 3,8 128.543,9 12,10 1.036,11 6,12 0.865,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.83,21 1.029,22 92.739,23 249.411,24 0.546,25 121.892,26 5.01,27 0.455,28 0.436,29 171.159,30 4.978,31 1.076,32 1.755,33 1.755,34 36.998,35 208.355,36 1,37 2,38 8.543,39 3.043,40 0.644,41 2,42 138.032,43 4,44 5,46 0.5,47 1.2,48 2,49 105.5,50 -0.083,51 4,52 101.037,53 3.218,54 15.907,55 0.086,56 8.672,57 0.784,58 3,59 5,60 5.13,61 0.129,62 4,63 0.692,64 6.999,65 1.408,66 4}
{0 CHEMBL1169428,1 174.934,2 174.934,3 0.47,4 3,5 8,6 0.293,7 3,8 124.241,9 12,10 0.995,11 6,12 0.896,13 1,14 11,15 275.971,16 275.971,17 270.424,18 206.47,19 206.47,20 43.627,21 1.029,22 92.602,23 216.514,24 0.545,25 133.904,26 5.009,27 0.458,28 0.436,29 153.113,30 4.883,31 0.988,32 1.755,33 1.755,34 32.167,35 173.364,36 1,37 2,38 8.5,39 3,40 0.644,41 1.978,42 127.961,43 3,44 5,46 0.5,47 1.2,48 2,49 97.042,50 -0.168,51 1,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.847,58 3,59 5,60 5.13,61 0.224,62 4,63 0.688,64 6.999,65 1.482,66 4}
{0 CHEMBL1169429,1 174.934,2 174.934,3 0.47,4 3,5 8,6 0.293,7 3,8 124.241,9 12,10 0.995,11 6,12 0.896,13 1,14 11,15 275.971,16 275.971,17 270.424,18 206.47,19 206.47,20 43.627,21 1.029,22 92.602,23 216.514,24 0.545,25 133.904,26 5.009,27 0.458,28 0.436,29 153.113,30 4.883,31 0.988,32 1.755,33 1.755,34 32.167,35 173.364,36 1,37 2,38 8.5,39 3,40 0.644,41 1.978,42 127.961,43 3,44 5,46 0.5,47 1.2,48 2,49 97.042,50 -0.168,51 1,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.847,58 3,59 5,60 5.13,61 0.224,62 4,63 0.688,64 6.999,65 1.482,66 4}
{0 CHEMBL1169430,1 174.934,2 174.934,3 0.47,4 3,5 8,6 0.293,7 3,8 124.241,9 12,10 0.995,11 6,12 0.896,13 1,14 11,15 275.971,16 275.971,17 270.424,18 206.47,19 206.47,20 43.627,21 1.029,22 92.602,23 216.514,24 0.545,25 133.904,26 5.009,27 0.458,28 0.436,29 153.113,30 4.883,31 0.988,32 1.755,33 1.755,34 32.167,35 173.364,36 1,37 2,38 8.5,39 3,40 0.644,41 1.978,42 127.961,43 3,44 5,46 0.5,47 1.2,48 2,49 97.042,50 -0.168,51 1,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.847,58 3,59 5,60 5.13,61 0.224,62 4,63 0.688,64 6.999,65 1.482,66 4}
{0 CHEMBL1169433,1 174.934,2 174.934,3 0.47,4 3,5 8,6 0.293,7 3,8 124.241,9 12,10 0.995,11 6,12 0.896,13 1,14 11,15 275.971,16 275.971,17 270.424,18 206.47,19 206.47,20 43.627,21 1.029,22 92.602,23 216.514,24 0.545,25 133.904,26 5.009,27 0.458,28 0.436,29 153.113,30 4.883,31 0.988,32 1.755,33 1.755,34 32.167,35 173.364,36 1,37 2,38 8.5,39 3,40 0.644,41 1.978,42 127.961,43 3,44 5,46 0.5,47 1.2,48 2,49 97.042,50 -0.168,51 1,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.847,58 3,59 5,60 5.13,61 0.224,62 4,63 0.688,64 6.999,65 1.482,66 4}
{0 CHEMBL1169434,1 174.934,2 174.934,3 0.617,4 3,5 8,6 0.293,7 3,8 128.543,9 12,10 1.036,11 6,12 0.865,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.83,21 1.029,22 92.739,23 249.411,24 0.546,25 121.892,26 5.01,27 0.455,28 0.436,29 171.159,30 4.978,31 1.076,32 1.755,33 1.755,34 36.998,35 208.355,36 1,37 2,38 8.543,39 3.043,40 0.644,41 2,42 138.032,43 4,44 5,46 0.5,47 1.2,48 2,49 105.5,50 -0.083,51 4,52 101.037,53 3.218,54 15.907,55 0.086,56 8.672,57 0.784,58 3,59 5,60 5.13,61 0.129,62 4,63 0.692,64 6.999,65 1.408,66 4}
{0 CHEMBL1202117,1 230.042,2 230.042,3 1.2,4 2,5 11,6 0.449,8 178.302,9 17,10 1.374,11 6,12 1.183,13 1,14 15,15 381.826,16 381.826,17 370.731,18 290.67,19 290.67,20 64.144,21 1.042,22 135.286,23 316.943,24 0.533,25 202.574,26 6.999,27 0.372,28 0.428,29 216.011,30 5.136,31 1.458,32 1.816,33 1.816,34 50.895,35 253.556,36 2,37 2,38 8.736,39 3.236,40 0.681,41 2,42 218.287,43 3,44 7,46 0.5,47 1.912,48 2,49 280.284,50 -0.119,51 2,52 151.784,53 3.55,54 21.843,55 0.312,56 11.095,57 1.288,58 2,59 8,60 6.999,61 1.2,62 6,63 0.78,64 7.426,65 1.519,66 4.481}
{0 CHEMBL1204422,1 124.026,2 124.026,3 0.447,4 2,5 6,6 0.261,8 100.281,9 11,10 0.994,11 5,12 0.757,14 10,15 236.063,16 236.063,17 230.516,18 177.65,19 177.65,20 44.542,21 1.024,22 85.972,23 194.617,24 0.554,25 107.255,26 4.989,27 0.543,28 0.447,29 151.134,30 4.736,31 0.97,32 1.728,33 1.728,34 22.994,35 147.242,36 2,37 1,38 8.346,39 2.846,40 0.634,41 2,42 147.611,43 1,44 6,46 0.5,47 1.2,48 2,49 116.385,50 -0.071,52 112.037,53 3.355,54 16.795,55 0.129,56 63.812,57 0.821,58 2,59 5,60 5.13,61 0.196,62 5,63 0.622,64 6.999,65 1.196,66 5.301}
{0 CHEMBL1222609,1 67.693,2 82.654,4 1,5 3,6 0.054,7 1,8 55.579,9 6,10 0.537,11 2,12 0.498,14 6,15 89.693,16 104.653,17 104.653,18 69.4,19 69.4,21 1.006,22 25.386,23 86.643,24 0.548,25 51.822,26 4.439,27 0.905,28 0.47,29 51.124,30 4.154,31 0.414,32 1.584,33 1.584,34 10.337,35 44.836,38 7.774,39 2.274,40 0.601,41 0.86,42 51.274,43 1,45 1,46 1,49 46.192,50 -0.011,52 36.96,53 1.454,54 4.24,56 104.239,57 0.479,58 2,60 4.572,62 2,63 0.137,64 4.705,65 1.181,66 4.745}
{0 CHEMBL1222610,1 67.693,2 67.693,4 1,5 3,6 0.037,7 1,8 44.595,9 6,10 0.47,11 2,12 0.425,14 5,15 89.693,16 89.693,17 89.693,18 69.4,19 69.4,21 1.002,22 23.628,23 110.831,24 0.575,25 40.984,26 4.367,27 1.014,28 0.485,29 41.318,30 4.087,31 0.328,32 1.584,33 1.584,34 9.341,35 36.136,38 7.635,39 2.135,40 0.592,41 0.86,42 46.523,43 1,45 1,46 1,49 41.237,50 -0.048,52 22,53 1.454,54 4.24,56 104.239,57 0.412,58 2,60 4.54,62 2,63 0.137,64 4.6,65 1.087,66 4.796}
{0 CHEMBL1222675,1 67.693,2 82.654,4 1,5 3,6 0.085,7 1,8 69.364,9 7,10 0.736,11 2,12 0.684,14 6,15 89.693,16 104.653,17 104.653,18 69.4,19 69.4,21 1.013,22 24.956,23 125.791,24 0.566,25 63.257,26 4.54,27 0.875,28 0.478,29 64.201,30 4.364,31 0.434,32 1.702,33 1.702,34 11.796,35 44.45,38 7.826,39 2.326,40 0.623,41 0.86,42 61.479,43 1,45 1,46 1,49 53.052,50 0.025,52 36.96,53 1.454,54 4.24,56 94.762,57 0.673,58 2,60 4.6,62 2,63 0.133,64 4.826,65 1.087,66 5.081}
{0 CHEMBL1222676,1 67.693,2 82.654,4 1,5 3,6 0.043,7 1,8 51.186,9 6,10 0.581,11 2,12 0.436,14 6,15 89.693,16 104.653,17 104.653,18 69.4,19 69.4,21 1.004,22 24.613,23 86.643,24 0.561,25 51.971,26 4.441,27 0.889,28 0.471,29 62.669,30 4.168,31 0.466,32 1.561,33 1.561,34 9.92,35 49.376,38 7.753,39 2.253,40 0.591,41 0.86,42 50.111,43 1,45 1,46 1,49 50.844,50 -0.001,52 36.96,53 1.454,54 4.24,56 103.588,57 0.451,58 2,60 4.573,62 2,63 0.133,64 4.701,65 1.129,66 4.824}
{0 CHEMBL1222677,1 67.693,2 82.654,4 1,5 3,6 0.042,7 1,8 43.286,9 5,10 0.315,11 2,12 0.31,14 5,15 78.693,16 93.653,17 93.653,18 60.17,19 60.17,21 0.995,22 26.24,23 75.643,24 0.571,25 43.651,26 4.47,27 0.933,28 0.477,29 44.45,30 4.145,31 0.359,32 1.472,33 1.472,34 10.008,35 50.884,38 7.684,39 2.184,40 0.567,41 0.4,42 45.471,43 1,45 1,46 1,49 49.4,50 0.017,52 25.96,53 1.378,54 3.102,56 103.588,57 0.379,58 2,60 4.557,62 1,63 0.097,64 4.63,65 1.025,66 4.876}
{0 CHEMBL1222678,1 67.693,2 67.693,4 1,5 3,6 0.05,7 1,8 35.552,9 5,10 0.301,11 2,12 0.297,14 4,15 78.693,16 78.693,17 78.693,18 60.17,19 60.17,21 0.992,22 23.949,23 99.831,24 0.597,25 38.986,26 4.29,27 1.1,28 0.491,29 38.163,30 4.137,31 0.35,32 1.472,33 1.472,34 10.017,35 43.185,38 7.55,39 2.05,40 0.559,41 0.4,42 39.078,43 1,45 1,46 1,49 43.946,50 0.032,52 11,53 1.378,54 3.102,56 103.588,57 0.364,58 2,60 4.516,62 1,63 0.097,64 4.591,65 0.944,66 4.585}
{0 CHEMBL1222745,1 67.693,2 112.574,4 1,5 3,6 0.083,7 1,8 50.438,9 7,10 0.658,11 2,12 0.387,14 7,15 78.693,16 123.574,17 123.574,18 60.17,19 60.17,21 1.011,22 145.925,23 105.563,24 0.557,25 94.904,26 4.65,27 0.564,28 0.465,29 92.24,30 4.567,31 0.559,32 1.585,33 1.585,34 24.007,35 77.179,38 8.018,39 2.518,40 0.612,41 1.151,42 82.767,43 1,45 1,46 0.75,49 69.231,50 0.041,52 55.88,53 3.17,54 10.752,56 103.588,57 0.742,58 2,60 4.832,62 1,63 0.307,64 5.163,65 0.977,66 4.866}
{0 CHEMBL1222746,1 67.693,2 82.654,4 1,5 3,6 0.048,7 1,8 43.71,9 5,10 0.411,11 2,12 0.293,14 5,15 78.693,16 93.653,17 93.653,18 60.17,19 60.17,21 0.994,22 25.091,23 75.643,24 0.583,25 51.341,26 4.463,27 0.921,28 0.477,29 58.334,30 4.143,31 0.344,32 1.454,33 1.454,34 10.476,35 43.937,38 7.667,39 2.167,40 0.56,41 0.4,42 52.152,43 1,45 1,46 0.75,49 53.281,50 0.062,52 25.96,53 1.378,54 3.102,56 102.937,57 0.432,58 2,60 4.555,62 1,63 0.094,64 4.627,65 0.987,66 5.097}
{0 CHEMBL1222747,1 67.693,2 82.654,4 1,5 3,6 0.033,7 1,8 58.869,9 6,10 0.37,11 2,12 0.416,14 5,15 78.693,16 93.653,17 93.653,18 60.17,19 60.17,21 1.001,22 23.94,23 114.791,24 0.587,25 54.001,26 4.516,27 0.882,28 0.484,29 50.073,30 4.265,31 0.356,32 1.583,33 1.583,34 9.724,35 47.192,38 7.737,39 2.237,40 0.587,41 0.4,42 52.474,43 1,45 1,46 0.75,49 55.33,50 0.069,52 25.96,53 1.378,54 3.102,56 94.111,57 0.461,58 2,60 4.59,62 1,63 0.094,64 4.74,65 0.945,66 4.876}
{0 CHEMBL1230380,1 85.704,2 100.664,4 1,5 4,6 0.046,7 1,8 48.983,9 6,10 0.314,11 3,12 0.465,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.997,22 28.411,23 75.643,24 0.575,25 41.934,26 4.267,27 1,28 0.47,29 40.579,30 4.079,31 0.411,32 1.524,33 1.524,34 9.572,35 48.709,38 7.705,39 2.205,40 0.562,41 0.4,42 42.708,43 1,44 1,45 1,46 1,49 48.268,50 0.002,52 25.96,53 1.138,54 3.32,56 66.334,57 0.374,58 2,60 4.545,62 1,63 0.119,64 4.626,65 1.164,66 4.237}
{0 CHEMBL1230381,1 85.704,2 100.664,4 1,5 4,6 0.046,7 1,8 48.983,9 6,10 0.314,11 3,12 0.465,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.997,22 28.411,23 75.643,24 0.575,25 41.934,26 4.267,27 1,28 0.47,29 40.579,30 4.079,31 0.411,32 1.524,33 1.524,34 9.572,35 48.709,38 7.705,39 2.205,40 0.562,41 0.4,42 42.708,43 1,44 1,45 1,46 1,49 48.268,50 0.002,52 25.96,53 1.138,54 3.32,56 66.334,57 0.374,58 2,60 4.545,62 1,63 0.119,64 4.626,65 1.164,66 4.229}
{0 CHEMBL1233717,1 103.715,2 118.675,4 1,5 5,6 0.071,7 1,8 42.881,9 6,10 0.29,11 3,12 0.37,14 6,15 103.715,16 118.675,17 118.675,18 75,19 75,21 0.991,22 26.819,23 64.643,24 0.592,25 42.501,26 4.26,27 0.84,28 0.474,29 37.262,30 3.983,31 0.418,32 1.428,33 1.428,34 9.898,35 49.36,38 7.648,39 2.148,40 0.544,41 0.4,42 37.048,43 2,44 1,45 1,46 1,49 50.462,50 0.019,52 14.96,53 0.673,54 2.4,56 65.683,57 0.39,58 2,60 4.448,63 0.083,64 4.58,65 1.135,66 4.309}
{0 CHEMBL126713,1 100.591,2 100.591,4 1,5 4,6 0.078,8 65.735,9 6,10 0.406,11 4,12 0.382,14 6,15 168.419,16 168.419,17 168.419,18 113.73,19 113.73,20 10.375,21 1.004,22 48.016,23 150.408,24 0.605,25 54.527,26 4.097,27 0.488,28 0.451,29 65.073,30 3.848,31 0.305,32 1.559,33 1.559,34 15.58,35 47.802,38 8.211,39 2.711,40 0.561,41 1.233,42 35.636,44 2,45 1,46 0.75,47 0.159,48 1,49 56.461,50 -0.081,52 67.828,53 2.558,54 8.068,56 8.825,57 0.33,58 1,59 2,60 4.316,62 2,63 0.576,64 4.975,65 1.452,66 5.071}
{0 CHEMBL1269103,1 49.683,2 49.683,4 1,5 2,6 0.044,8 21.045,9 2,10 0.137,11 1,12 0.125,14 2,15 49.683,16 49.683,17 49.683,18 38.38,19 38.38,21 0.977,22 15.163,23 49.683,24 0.648,25 6.196,26 3.632,27 0.702,28 0.486,29 20.83,30 3.467,31 0.093,32 1.248,33 1.248,34 8.631,35 20.466,38 7.571,39 2.071,40 0.5,41 0.522,42 20.719,45 1,46 1,49 20.538,50 -0.334,53 1.559,54 3.839,56 73.857,57 0.031,58 2,59 1,60 3.674,63 0.274,64 4.007,65 1.081,66 4}
{0 CHEMBL1269105,1 49.683,2 49.683,5 2,6 0.029,8 17.661,9 3,10 0.102,12 0.124,14 3,15 60.683,16 60.683,17 60.683,18 47.61,19 47.61,21 0.994,22 16.594,23 60.683,24 0.611,25 11.561,26 3.5,27 1.274,28 0.472,29 16.236,30 3.373,31 0.176,32 1.476,33 1.476,34 7.198,35 18.631,38 7.731,39 2.231,40 0.551,41 0.86,42 18.859,45 1,46 1,49 14.258,50 -0.171,52 11,53 1.83,54 5.559,56 57.613,57 0.113,59 1,60 3.683,62 1,63 0.428,64 4.166,65 0.899,66 4}
{0 CHEMBL1269154,1 18.685,2 18.685,5 2,6 0.023,8 11,9 2,10 0.077,12 0.095,14 1,15 18.685,16 18.685,17 16.786,18 17.82,19 17.82,21 0.985,22 9.602,23 16.786,24 0.588,25 4.634,26 3.377,27 1.219,28 0.485,29 11.336,30 2.954,31 0.07,32 1.321,33 1.321,34 5.192,35 11.002,38 7.487,39 1.987,40 0.54,42 8.935,45 1,46 1,49 10.193,50 -0.218,53 0.434,54 1.043,56 76.2,57 0.028,60 3.674,63 0.075,64 3.753,65 0.944,66 4.046}
{0 CHEMBL1269155,1 18.685,2 18.685,4 1,5 2,6 0.029,8 13.495,9 2,10 0.077,11 1,12 0.122,14 1,15 18.685,16 18.685,17 16.786,18 17.82,19 17.82,21 0.982,22 11.135,23 16.786,24 0.608,25 4.381,26 3.461,27 1.116,28 0.486,29 14.376,30 3.339,31 0.107,32 1.296,33 1.296,34 6.492,35 18.366,38 7.476,39 1.976,40 0.529,42 9.456,45 1,46 1,49 12.861,50 0.066,53 0.434,54 1.043,56 85.026,57 0.026,58 1,60 3.674,63 0.07,64 3.753,65 0.965,66 4.097}
{0 CHEMBL1269156,1 35.47,2 35.47,5 3,6 0.012,8 11.273,9 3,10 0.07,12 0.105,14 2,15 35.47,16 35.47,17 33.571,18 30.71,19 30.71,21 0.993,22 10.381,23 33.571,24 0.578,25 5.94,26 3.43,27 1.263,28 0.477,29 11.095,30 2.966,31 0.121,32 1.417,33 1.417,34 5.133,35 13.025,38 7.564,39 2.064,40 0.567,42 11.947,45 1,46 1,49 10.057,50 -0.204,53 0.434,54 1.043,56 65.866,57 0.056,60 3.674,63 0.075,64 3.753,65 0.881,66 4}
{0 CHEMBL1270460,1 85.704,2 100.664,3 0.138,4 2,5 4,6 0.06,7 5,8 47.647,9 6,10 0.366,11 7,12 0.52,14 6,15 96.704,16 111.664,17 111.664,18 71.67,19 71.67,21 0.993,22 25.855,23 75.643,24 0.593,25 38.676,26 4.247,27 0.975,28 0.47,29 39.269,30 4.077,31 0.476,32 1.482,33 1.482,34 8.163,35 45.099,38 7.635,39 2.135,40 0.544,41 0.86,42 39.189,43 1,44 1,45 1,46 1,47 0.4,49 51.948,50 0.012,52 25.96,53 1.845,54 6.358,56 37.905,57 0.424,58 3,59 1,60 4.331,62 1,63 0.227,64 4.62,65 1.228,66 4.237}
{0 CHEMBL1277419,1 103.715,2 148.595,4 1,5 5,6 0.092,7 1,8 53.761,9 8,10 0.604,11 2,12 0.397,14 8,15 103.715,16 148.595,17 148.595,18 75,19 75,21 1.009,22 145.855,23 94.563,24 0.57,25 71.802,26 4.581,27 0.494,28 0.461,29 89,30 4.444,31 0.631,32 1.566,33 1.566,34 23.068,35 87.94,38 8.043,39 2.543,40 0.597,41 0.657,42 91.205,43 2,44 1,45 1,46 1,47 0.4,49 66.73,50 0.053,52 44.88,53 3.107,54 10.565,56 65.683,57 0.553,58 2,60 4.705,63 0.341,64 5.163,65 1.061,66 4.213}
{0 CHEMBL1277420,1 103.715,2 118.675,4 1,5 5,6 0.065,7 1,8 44.052,9 6,10 0.318,11 2,12 0.343,14 6,15 103.715,16 118.675,17 118.675,18 75,19 75,21 0.993,22 26.339,23 64.643,24 0.587,25 42.575,26 4.212,27 0.845,28 0.473,29 40.016,30 3.981,31 0.339,32 1.446,33 1.446,34 9.858,35 39.03,38 7.673,39 2.173,40 0.55,41 0.4,42 38.122,43 2,44 1,45 1,46 1,49 46.428,50 0.027,52 14.96,53 0.918,54 2.915,56 65.683,57 0.384,58 2,60 4.442,63 0.104,64 4.579,65 1.114,66 4.104}
{0 CHEMBL1277601,1 103.715,2 103.715,4 1,5 5,6 0.059,7 1,8 42.552,9 7,10 0.315,11 2,12 0.39,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.996,22 22.781,23 127.98,24 0.632,25 40.419,26 4.347,27 0.902,28 0.497,29 35.23,30 4.125,31 0.409,32 1.525,33 1.525,34 9.246,35 42.393,38 7.588,39 2.088,40 0.562,41 0.4,42 36.237,43 2,44 1,45 1,46 1,49 47.17,50 0.032,53 0.918,54 2.915,56 56.206,57 0.431,58 2,60 4.457,63 0.101,64 4.492,65 0.925,66 4.199}
{0 CHEMBL1277602,1 103.715,2 103.715,4 1,5 5,6 0.059,7 1,8 35.927,9 7,10 0.431,11 2,12 0.332,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.996,22 23.622,23 127.98,24 0.632,25 37.797,26 4.274,27 0.902,28 0.497,29 44.952,30 4.066,31 0.363,32 1.525,33 1.525,34 9.246,35 39.267,38 7.588,39 2.088,40 0.562,41 0.4,42 38.511,43 2,44 1,45 1,46 1,49 47.173,50 0.008,53 0.918,54 2.915,56 56.206,57 0.384,58 2,60 4.45,63 0.101,64 4.582,65 0.925,66 4.118}
{0 CHEMBL1277693,1 103.715,2 103.715,4 2,5 5,6 0.078,7 1,8 36.087,9 6,10 0.33,11 3,12 0.346,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.988,22 24.322,23 88.831,24 0.626,25 38.538,26 4.206,27 0.974,28 0.489,29 34.828,30 3.981,31 0.355,32 1.428,33 1.428,34 10.608,35 37.031,38 7.516,39 2.016,40 0.537,41 0.4,42 39.406,43 2,44 1,45 1,46 1,49 45.631,50 0.025,53 0.918,54 2.915,56 74.508,57 0.378,58 3,60 4.378,63 0.101,64 4.472,65 1.019,66 4.783}
{0 CHEMBL1277694,1 88.829,2 88.829,4 1,5 5,6 0.073,7 1,8 31.61,9 6,10 0.294,11 2,12 0.322,14 5,15 88.829,16 88.829,17 88.829,18 66.21,19 66.21,21 0.988,22 23.784,23 88.831,24 0.628,25 33.63,26 4.163,27 1.108,28 0.489,29 31.827,30 3.982,31 0.408,32 1.428,33 1.428,34 10.166,35 38.6,38 7.504,39 2.004,40 0.537,41 0.657,42 33.942,43 1,44 1,45 1,46 1,49 44.084,50 0.087,53 1.145,54 3.715,56 77.203,57 0.348,58 2,60 4.373,63 0.128,64 4.449,65 0.925,66 4.236}
{0 CHEMBL1277787,1 103.715,2 118.675,4 1,5 5,6 0.071,7 1,8 44.796,9 6,10 0.307,11 3,12 0.37,14 6,15 103.715,16 118.675,17 118.675,18 75,19 75,21 0.991,22 26.708,23 64.643,24 0.592,25 39.589,26 4.255,27 0.84,28 0.474,29 38.792,30 3.982,31 0.356,32 1.428,33 1.428,34 9.898,35 40.018,38 7.648,39 2.148,40 0.544,41 0.4,42 45.839,43 2,44 1,45 1,46 1,49 49.82,50 -0.025,52 14.96,53 0.673,54 2.4,56 65.683,57 0.369,58 2,60 4.448,63 0.083,64 4.58,65 1.135,66 4.356}
{0 CHEMBL1278131,1 85.704,2 85.704,4 1,5 4,6 0.077,7 1,8 25.984,9 4,10 0.231,11 4,12 0.252,14 4,15 85.704,16 85.704,17 85.704,18 62.97,19 62.97,21 0.981,22 20.133,23 49.683,24 0.603,25 26.727,26 3.98,27 1.06,28 0.483,29 25.513,30 3.765,31 0.286,32 1.296,33 1.296,34 10.03,35 31.026,38 7.431,39 1.931,40 0.515,41 0.4,42 27.979,43 2,45 1,46 1,49 35.003,50 0.013,53 0.495,54 1.6,56 75.159,57 0.24,58 2,60 4.101,63 0.062,64 4.436,65 1.135,66 4.07}
{0 CHEMBL1485,1 115.477,2 115.477,4 1,5 4,6 0.124,8 76.021,9 6,10 0.418,11 3,12 0.405,14 6,15 183.305,16 183.305,17 183.305,18 127.72,19 127.72,20 10.217,21 1.018,22 55.079,23 183.305,24 0.561,25 57.778,26 4.185,27 0.428,28 0.439,29 78.964,30 3.633,31 0.332,32 1.669,33 1.669,34 26.001,35 60.292,38 8.597,39 3.097,40 0.605,41 1.2,42 29.556,43 1,44 2,45 1,46 0.75,47 0.129,48 1,49 36.751,50 -0.057,52 67.828,53 2.533,54 7.724,57 0.292,58 1,59 2,60 4.659,62 2,63 0.702,64 4.976,65 1.568,66 5.959}
{0 CHEMBL160026,1 174.934,2 174.934,3 0.47,4 3,5 8,6 0.293,7 3,8 124.241,9 12,10 0.995,11 6,12 0.896,13 1,14 11,15 275.971,16 275.971,17 270.424,18 206.47,19 206.47,20 43.627,21 1.029,22 92.602,23 216.514,24 0.545,25 133.904,26 5.009,27 0.458,28 0.436,29 153.113,30 4.883,31 0.988,32 1.755,33 1.755,34 32.167,35 173.364,36 1,37 2,38 8.5,39 3,40 0.644,41 1.978,42 127.961,43 3,44 5,46 0.5,47 1.2,48 2,49 97.042,50 -0.168,51 1,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.847,58 3,59 5,60 5.13,61 0.224,62 4,63 0.688,64 6.999,65 1.482,66 4}
{0 CHEMBL161001,1 160.048,2 204.928,3 1.5,4 3,5 8,6 0.473,7 3,8 288.022,9 16,10 1.723,11 6,12 1.71,13 1,14 15,15 286.23,16 331.11,17 325.562,18 214.75,19 214.75,20 55.377,21 1.061,22 238.104,23 286.539,24 0.518,25 405.865,26 7.425,27 0.419,28 0.422,29 308.712,30 7.42,31 1.941,32 2.03,33 2.03,34 83.832,35 361.395,36 1,37 3,38 9.032,39 3.532,40 0.74,41 2.006,42 320.968,43 4,44 6,46 0.5,47 1.915,48 3,49 188.828,50 -0.17,51 3,52 171.062,53 3.929,54 26.982,55 0.617,56 8.672,57 2.056,58 3,59 6,60 7.438,61 1.2,62 5,63 0.93,64 7.818,65 1.339,66 4}
{0 CHEMBL1614783,1 85.704,2 130.585,4 1,5 4,6 0.108,7 1,8 96.509,9 8,10 0.739,11 3,12 0.862,14 8,15 96.704,16 141.584,17 141.584,18 72.2,19 72.2,21 1.014,22 79.491,23 105.563,24 0.566,25 88.211,26 4.593,27 0.792,28 0.458,29 102.525,30 4.543,31 0.782,32 1.64,33 1.64,34 22.185,35 108.003,38 8.078,39 2.578,40 0.609,41 0.86,42 71.938,43 1,44 1,45 1,46 1,47 0.4,49 80.811,50 0.273,52 55.88,53 2.467,54 8.07,56 65.683,57 0.72,58 2,60 4.659,62 1,63 0.26,64 5.163,65 1.12,66 4.509}
{0 CHEMBL1615287,1 99.365,2 99.365,5 4,6 0.069,8 29.164,9 4,10 0.149,11 4,12 0.195,14 4,15 99.365,16 99.365,17 99.365,18 77.82,19 77.82,21 0.983,22 21.996,23 99.365,24 0.596,25 26.824,26 4.035,27 0.547,28 0.485,29 24.885,30 3.991,31 0.222,32 1.31,33 1.31,34 11.734,35 36.109,38 7.551,39 2.051,40 0.531,42 24.7,45 1,46 0.75,49 38.008,50 0.068,56 93.46,57 0.139,60 4.556,64 4.566,65 1.044,66 5.377}
{0 CHEMBL1615288,1 116.151,2 116.151,5 5,6 0.065,8 28.939,9 5,10 0.201,11 4,12 0.187,14 5,15 116.151,16 116.151,17 116.151,18 90.71,19 90.71,21 0.987,22 21.729,23 116.151,24 0.591,25 32.482,26 4.032,27 0.653,28 0.481,29 29.77,30 4.024,31 0.251,32 1.36,33 1.36,34 12.081,35 38.809,38 7.59,39 2.09,40 0.543,42 24.322,44 2,45 1,46 1,49 39.059,50 0.132,56 83.126,57 0.193,60 4.561,64 4.562,65 1.02,66 5.572}
{0 CHEMBL1615289,1 116.151,2 116.151,5 5,6 0.065,8 29.223,9 5,10 0.183,11 4,12 0.192,14 5,15 116.151,16 116.151,17 116.151,18 90.71,19 90.71,21 0.987,22 22.118,23 116.151,24 0.591,25 33.21,26 4.035,27 0.653,28 0.481,29 27.881,30 4.024,31 0.246,32 1.36,33 1.36,34 12.081,35 38.316,38 7.59,39 2.09,40 0.543,42 25.513,44 2,45 1,46 1,49 38.662,50 0.106,56 83.126,57 0.214,60 4.561,64 4.569,65 1.02,66 4.793}
{0 CHEMBL1615290,1 116.151,2 116.151,5 5,6 0.065,8 32.458,9 5,10 0.188,11 4,12 0.234,14 5,15 116.151,16 116.151,17 116.151,18 90.71,19 90.71,21 0.987,22 21.766,23 116.151,24 0.591,25 29.642,26 4.032,27 0.602,28 0.481,29 28.029,30 4.004,31 0.277,32 1.36,33 1.36,34 11.414,35 40.081,38 7.59,39 2.09,40 0.543,42 30.667,45 1,46 1,49 39.234,50 0.112,56 83.984,57 0.205,60 4.557,64 4.561,65 1.079,66 5.027}
{0 CHEMBL1615291,1 116.151,2 116.151,5 5,6 0.065,8 32.742,9 5,10 0.17,11 4,12 0.239,14 5,15 116.151,16 116.151,17 116.151,18 90.71,19 90.71,21 0.987,22 22.155,23 116.151,24 0.591,25 28.568,26 4.035,27 0.602,28 0.481,29 26.14,30 3.993,31 0.247,32 1.36,33 1.36,34 11.414,35 38.587,38 7.59,39 2.09,40 0.543,42 31.439,45 1,46 1,49 38.84,50 0.085,56 83.984,57 0.188,60 4.559,64 4.567,65 1.079,66 4.699}
{0 CHEMBL1615292,1 132.263,2 132.263,5 5,6 0.081,8 32.445,9 5,10 0.179,11 4,12 0.206,14 5,15 132.263,16 132.263,17 132.263,18 103.84,19 103.84,21 0.986,22 22.556,23 132.263,24 0.592,25 31.593,26 4.46,27 0.533,28 0.481,29 28.757,30 4.032,31 0.265,32 1.346,33 1.346,34 13.883,35 43.229,38 7.611,39 2.111,40 0.537,42 34.198,45 1,46 0.75,49 43.593,50 0.026,56 83.984,57 0.19,60 4.561,64 4.587,65 1.05,66 5.305}
{0 CHEMBL161697,1 160.048,2 204.928,3 1.5,4 3,5 8,6 0.473,7 3,8 288.022,9 16,10 1.723,11 6,12 1.71,13 1,14 15,15 286.23,16 331.11,17 325.562,18 214.75,19 214.75,20 55.377,21 1.061,22 238.104,23 286.539,24 0.518,25 405.865,26 7.425,27 0.419,28 0.422,29 308.712,30 7.42,31 1.941,32 2.03,33 2.03,34 83.832,35 361.395,36 1,37 3,38 9.032,39 3.532,40 0.74,41 2.006,42 320.968,43 4,44 6,46 0.5,47 1.915,48 3,49 188.828,50 -0.17,51 3,52 171.062,53 3.929,54 26.982,55 0.617,56 8.672,57 2.056,58 3,59 6,60 7.438,61 1.2,62 5,63 0.93,64 7.818,65 1.339,66 4}
{0 CHEMBL163165,1 174.934,2 174.934,3 0.617,4 3,5 8,6 0.293,7 3,8 128.543,9 12,10 1.036,11 6,12 0.865,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.83,21 1.029,22 92.739,23 249.411,24 0.546,25 121.892,26 5.01,27 0.455,28 0.436,29 171.159,30 4.978,31 1.076,32 1.755,33 1.755,34 36.998,35 208.355,36 1,37 2,38 8.543,39 3.043,40 0.644,41 2,42 138.032,43 4,44 5,46 0.5,47 1.2,48 2,49 105.5,50 -0.083,51 4,52 101.037,53 3.218,54 15.907,55 0.086,56 8.672,57 0.784,58 3,59 5,60 5.13,61 0.129,62 4,63 0.692,64 6.999,65 1.408,66 4}
{0 CHEMBL163217,1 160.048,2 204.928,3 1.5,4 3,5 8,6 0.473,7 3,8 288.022,9 16,10 1.723,11 6,12 1.71,13 1,14 15,15 286.23,16 331.11,17 325.562,18 214.75,19 214.75,20 55.377,21 1.061,22 238.104,23 286.539,24 0.518,25 405.865,26 7.425,27 0.419,28 0.422,29 308.712,30 7.42,31 1.941,32 2.03,33 2.03,34 83.832,35 361.395,36 1,37 3,38 9.032,39 3.532,40 0.74,41 2.006,42 320.968,43 4,44 6,46 0.5,47 1.915,48 3,49 188.828,50 -0.17,51 3,52 171.062,53 3.929,54 26.982,55 0.617,56 8.672,57 2.056,58 3,59 6,60 7.438,61 1.2,62 5,63 0.93,64 7.818,65 1.339,66 4}
{0 CHEMBL163811,1 174.934,2 174.934,3 0.617,4 3,5 8,6 0.293,7 3,8 128.543,9 12,10 1.036,11 6,12 0.865,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.83,21 1.029,22 92.739,23 249.411,24 0.546,25 121.892,26 5.01,27 0.455,28 0.436,29 171.159,30 4.978,31 1.076,32 1.755,33 1.755,34 36.998,35 208.355,36 1,37 2,38 8.543,39 3.043,40 0.644,41 2,42 138.032,43 4,44 5,46 0.5,47 1.2,48 2,49 105.5,50 -0.083,51 4,52 101.037,53 3.218,54 15.907,55 0.086,56 8.672,57 0.784,58 3,59 5,60 5.13,61 0.129,62 4,63 0.692,64 6.999,65 1.408,66 4}
{0 CHEMBL164412,1 174.934,2 174.934,3 0.47,4 3,5 8,6 0.293,7 3,8 124.241,9 12,10 0.995,11 6,12 0.896,13 1,14 11,15 275.971,16 275.971,17 270.424,18 206.47,19 206.47,20 43.627,21 1.029,22 92.602,23 216.514,24 0.545,25 133.904,26 5.009,27 0.458,28 0.436,29 153.113,30 4.883,31 0.988,32 1.755,33 1.755,34 32.167,35 173.364,36 1,37 2,38 8.5,39 3,40 0.644,41 1.978,42 127.961,43 3,44 5,46 0.5,47 1.2,48 2,49 97.042,50 -0.168,51 1,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.847,58 3,59 5,60 5.13,61 0.224,62 4,63 0.688,64 6.999,65 1.482,66 4}
{0 CHEMBL1766628,1 99.365,2 99.365,5 4,6 0.072,8 31.141,9 4,10 0.178,11 4,12 0.2,14 4,15 99.365,16 99.365,17 99.365,18 77.82,19 77.82,21 0.983,22 22.402,23 99.365,24 0.588,25 27.827,26 4.313,27 0.548,28 0.487,29 30.461,30 4.011,31 0.243,32 1.292,33 1.292,34 12.48,35 40.047,38 7.522,39 2.022,40 0.534,42 27.518,45 1,46 0.75,49 42.315,50 0.029,56 112.413,57 0.13,60 4.563,64 4.566,65 0.993,66 5.759}
{0 CHEMBL1766629,1 99.365,2 99.365,5 4,6 0.072,8 31.141,9 4,10 0.178,11 4,12 0.2,14 4,15 99.365,16 99.365,17 99.365,18 77.82,19 77.82,21 0.983,22 22.402,23 99.365,24 0.588,25 28.4,26 4.313,27 0.548,28 0.487,29 30.572,30 4.018,31 0.243,32 1.292,33 1.292,34 12.48,35 40.269,38 7.522,39 2.022,40 0.534,42 26.109,45 1,46 0.75,49 42.369,50 0.048,56 112.413,57 0.14,60 4.563,64 4.566,65 0.993,66 5.818}
{0 CHEMBL1766631,1 99.365,2 99.365,5 4,6 0.069,8 28.677,9 4,10 0.165,11 4,12 0.191,14 4,15 99.365,16 99.365,17 99.365,18 77.82,19 77.82,21 0.983,22 21.436,23 99.365,24 0.596,25 24.271,26 4.039,27 0.547,28 0.485,29 27.59,30 3.995,31 0.233,32 1.31,33 1.31,34 11.734,35 38.099,38 7.551,39 2.051,40 0.531,42 23.115,45 1,46 0.75,49 38.368,50 0.095,56 93.46,57 0.107,60 4.551,64 4.562,65 1.044,66 5.622}
{0 CHEMBL1766633,1 99.365,2 99.365,5 4,6 0.069,8 28.899,9 4,10 0.166,11 4,12 0.191,14 4,15 99.365,16 99.365,17 99.365,18 77.82,19 77.82,21 0.983,22 21.548,23 99.365,24 0.596,25 26.719,26 4.032,27 0.547,28 0.485,29 26.789,30 4.003,31 0.227,32 1.31,33 1.31,34 11.734,35 36.695,38 7.551,39 2.051,40 0.531,42 24.528,45 1,46 0.75,49 38.413,50 0.08,56 93.46,57 0.141,60 4.552,64 4.561,65 1.044,66 5.851}
{0 CHEMBL1788374,1 124.026,2 124.026,3 0.447,4 2,5 6,6 0.261,8 100.281,9 11,10 0.994,11 5,12 0.757,14 10,15 236.063,16 236.063,17 230.516,18 177.65,19 177.65,20 44.542,21 1.024,22 85.972,23 194.617,24 0.554,25 107.255,26 4.989,27 0.543,28 0.447,29 151.134,30 4.736,31 0.97,32 1.728,33 1.728,34 22.994,35 147.242,36 2,37 1,38 8.346,39 2.846,40 0.634,41 2,42 147.611,43 1,44 6,46 0.5,47 1.2,48 2,49 116.385,50 -0.071,52 112.037,53 3.355,54 16.795,55 0.129,56 63.812,57 0.821,58 2,59 5,60 5.13,61 0.196,62 5,63 0.622,64 6.999,65 1.196,66 5.301}
{0 CHEMBL1824855,1 85.704,2 115.624,4 1,5 4,6 0.088,7 1,8 84.12,9 8,10 0.633,11 3,12 0.784,14 7,15 96.704,16 126.624,17 126.624,18 72.2,19 72.2,21 1.01,22 73.849,23 129.751,24 0.593,25 75.479,26 4.544,27 0.834,28 0.473,29 83.832,30 4.309,31 0.904,32 1.689,33 1.689,34 18.767,35 118.218,38 7.943,39 2.443,40 0.601,41 0.86,42 54.91,43 1,44 1,45 1,46 1,47 0.4,49 74.149,50 0.032,52 40.92,53 2.467,54 8.07,56 65.683,57 0.664,58 2,60 4.654,62 1,63 0.26,64 4.928,65 1.021,66 4.796}
{0 CHEMBL1824856,1 85.704,2 115.624,4 1,5 4,6 0.088,7 1,8 81.761,9 8,10 0.812,11 3,12 0.773,14 7,15 96.704,16 126.624,17 126.624,18 72.2,19 72.2,21 1.01,22 73.585,23 129.751,24 0.593,25 78.397,26 4.544,27 0.834,28 0.473,29 106.648,30 4.339,31 0.79,32 1.689,33 1.689,34 18.797,35 101.457,38 7.943,39 2.443,40 0.601,41 0.86,42 55.859,43 1,44 1,45 1,46 1,47 0.4,49 75.148,50 0.03,52 40.92,53 2.467,54 8.07,56 65.683,57 0.721,58 2,60 4.653,62 1,63 0.26,64 4.914,65 1.021,66 4.569}
{0 CHEMBL1824857,1 85.704,2 115.624,4 2,5 4,6 0.058,7 1,8 71.394,9 7,10 0.46,11 3,12 0.623,14 7,15 96.704,16 126.624,17 126.624,18 72.2,19 72.2,21 1.004,22 36.345,23 90.603,24 0.576,25 67.148,26 4.543,27 0.954,28 0.464,29 65.906,30 4.257,31 0.76,32 1.578,33 1.578,34 13.508,35 115.196,38 7.887,39 2.387,40 0.582,41 0.86,42 51.659,43 1,44 1,45 1,46 1,47 0.4,49 68.09,50 0.026,52 40.92,53 1.643,54 5.347,56 65.683,57 0.573,58 3,60 4.61,62 1,63 0.178,64 4.662,65 1.119,66 4.721}
{0 CHEMBL1824858,1 85.704,2 130.585,4 1,5 4,6 0.145,7 1,8 103.488,9 9,10 0.917,11 3,12 0.981,14 8,15 96.704,16 141.584,17 141.584,18 72.2,19 72.2,21 1.019,22 82.867,23 144.712,24 0.583,25 103.179,26 4.654,27 0.783,28 0.467,29 119.735,30 4.544,31 1.379,32 1.75,33 1.75,34 24.694,35 201.656,38 8.118,39 2.618,40 0.628,41 0.86,42 72.502,43 1,44 1,45 1,46 1,47 0.4,49 90.485,50 0.021,52 55.88,53 2.467,54 8.07,56 56.206,57 0.874,58 2,60 4.881,62 1,63 0.252,64 5.163,65 1.022,66 4.77}
{0 CHEMBL1824859,1 85.704,2 145.545,4 1,5 4,6 0.17,7 1,8 143.731,9 9,10 1.284,11 3,12 1.176,14 9,15 96.704,16 156.545,17 156.545,18 72.2,19 72.2,21 1.023,22 90.874,23 120.523,24 0.558,25 128.547,26 4.656,27 0.757,28 0.453,29 196.69,30 4.544,31 1.4,32 1.692,33 1.692,34 28.965,35 207.874,38 8.247,39 2.747,40 0.636,41 0.86,42 90.699,43 1,44 1,45 1,46 1,47 0.4,49 95.73,50 0.015,52 70.84,53 2.467,54 8.07,56 56.206,57 1.066,58 2,60 5.163,62 1,63 0.252,64 7.999,65 1.12,66 4.31}
{0 CHEMBL1831025,1 115.477,2 115.477,4 1,5 4,6 0.123,7 1,8 75.724,9 6,10 0.407,11 2,12 0.379,14 6,15 183.305,16 183.305,17 183.305,18 127.72,19 127.72,20 10.454,21 1.018,22 56.431,23 183.305,24 0.552,25 57.891,26 4.293,27 0.42,28 0.444,29 78.927,30 3.867,31 0.367,32 1.683,33 1.683,34 26.056,35 67.429,38 8.449,39 2.949,40 0.609,41 1.2,42 32.069,43 1,44 2,45 1,46 0.75,47 0.129,48 1,49 29.825,50 -0.096,52 67.828,53 2.533,54 7.724,57 0.292,58 3,59 2,60 4.659,62 2,63 0.594,64 4.979,65 1.493,66 5.444}
{0 CHEMBL1831026,1 115.477,2 115.477,4 1,5 4,6 0.123,7 1,8 75.724,9 6,10 0.407,11 2,12 0.379,14 6,15 183.305,16 183.305,17 183.305,18 127.72,19 127.72,20 10.454,21 1.018,22 56.431,23 183.305,24 0.552,25 57.891,26 4.293,27 0.42,28 0.444,29 78.927,30 3.867,31 0.367,32 1.683,33 1.683,34 26.056,35 67.429,38 8.449,39 2.949,40 0.609,41 1.2,42 32.069,43 1,44 2,45 1,46 0.75,47 0.129,48 1,49 29.825,50 -0.096,52 67.828,53 2.533,54 7.724,57 0.292,58 3,59 2,60 4.659,62 2,63 0.594,64 4.979,65 1.493,66 3.788}
{0 CHEMBL1956738,1 85.704,2 100.664,4 1,5 4,6 0.046,7 1,8 45.213,9 6,10 0.458,11 2,12 0.409,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.997,22 26.543,23 75.643,24 0.584,25 41.415,26 4.252,27 0.995,28 0.47,29 56.436,30 4.051,31 0.412,32 1.524,33 1.524,34 9.818,35 49.231,38 7.712,39 2.212,40 0.562,41 0.657,42 58.487,43 1,44 1,45 1,46 1,49 50.087,50 -0.008,52 25.96,53 1.298,54 3.835,56 65.683,57 0.413,58 2,60 4.543,62 1,63 0.137,64 4.626,65 1.097,66 4.398}
{0 CHEMBL1956739,1 85.704,2 85.704,4 1,5 4,6 0.065,7 1,8 35.196,9 6,10 0.405,11 2,12 0.41,14 6,15 107.704,16 107.704,17 107.704,18 81.43,19 81.43,21 0.992,22 27.201,23 71.682,24 0.6,25 36.489,26 4.251,27 1.382,28 0.473,29 36.364,30 4.051,31 0.412,32 1.457,33 1.457,34 10.841,35 41.54,38 7.537,39 2.037,40 0.544,41 0.86,42 42.627,43 1,44 1,45 1,46 1,47 0.4,49 44.766,50 0.015,52 22,53 1.638,54 5.555,56 76.566,57 0.411,58 2,60 4.392,62 2,63 0.192,64 4.544,65 1.026,66 4.114}
{0 CHEMBL1956740,1 85.704,2 85.704,4 1,5 4,6 0.073,7 1,8 40.534,9 6,10 0.408,11 2,12 0.407,14 6,15 139.387,16 139.387,17 139.387,18 92.43,19 92.43,21 0.994,22 25.299,23 103.366,24 0.586,25 39.182,26 4.252,27 1.115,28 0.472,29 47.009,30 4.051,31 0.418,32 1.476,33 1.476,34 11.89,35 45.356,38 7.635,39 2.135,40 0.551,41 0.657,42 50.805,43 1,44 1,45 1,46 1,49 46.485,50 0.002,52 53.683,53 1.298,54 3.835,56 65.683,57 0.421,58 2,60 4.542,62 2,63 0.137,64 4.619,65 1.11,66 4.432}
{0 CHEMBL1956741,1 85.704,2 85.704,4 1,5 4,6 0.052,7 1,8 36.265,9 6,10 0.295,11 2,12 0.502,14 6,15 106.211,16 106.211,17 106.211,18 85.34,19 85.34,21 0.996,22 24.054,23 70.19,24 0.589,25 33.224,26 4.03,27 1.271,28 0.469,29 28.094,30 3.979,31 0.393,32 1.498,33 1.498,34 9.31,35 36.717,38 7.556,39 2.056,40 0.555,41 0.657,42 34.545,43 1,44 1,45 1,46 1,49 36.418,50 0.08,52 20.507,53 1.298,54 3.835,56 58.47,57 0.417,58 2,60 4.248,62 2,63 0.147,64 4.543,65 1.12,66 4.18}
{0 CHEMBL2092928,1 189.821,2 189.821,3 0.312,4 2,5 8,6 0.286,8 130.592,9 12,10 0.949,11 7,12 0.828,13 1,14 11,15 290.858,16 290.858,17 285.31,18 220.46,19 220.46,20 43.537,21 1.022,22 96.572,23 249.411,24 0.56,25 131.107,26 5.01,27 0.422,28 0.439,29 157.596,30 4.979,31 0.952,32 1.699,33 1.699,34 34.48,35 177.266,36 2,37 2,38 8.507,39 3.007,40 0.617,41 1.977,42 160.958,43 2,44 4,46 0.5,47 1.2,48 2,49 193.11,50 -0.095,51 4,52 101.037,53 3.192,54 15.184,55 0.062,56 5.548,57 0.812,58 2,59 5,60 5.13,61 0.129,62 4,63 0.66,64 6.999,65 1.55,66 4.523}
{0 CHEMBL226390,1 142.037,2 142.037,3 0.263,4 2,5 7,6 0.242,7 2,8 88.567,9 10,10 0.772,11 5,12 0.675,14 9,15 217.929,16 217.929,17 212.381,18 163.38,19 163.38,20 31.867,21 1.021,22 71.313,23 158.472,24 0.559,25 78.852,26 4.426,27 0.473,28 0.44,29 113.758,30 4.266,31 0.658,32 1.702,33 1.702,34 21.282,35 100.445,37 1,38 8.325,39 2.825,40 0.62,41 1.953,42 74.011,43 2,44 3,45 1,46 0.75,47 0.4,48 1,49 62.47,50 -0.14,51 1,52 75.892,53 2.912,54 11.891,56 5.548,57 0.575,58 2,59 4,60 4.983,61 0.129,62 3,63 0.595,64 5.13,65 1.45,66 4.167}
{0 CHEMBL226445,1 142.037,2 142.037,3 0.263,4 2,5 7,6 0.242,7 2,8 88.567,9 10,10 0.772,11 5,12 0.675,14 9,15 217.929,16 217.929,17 212.381,18 163.38,19 163.38,20 31.867,21 1.021,22 71.313,23 158.472,24 0.559,25 78.852,26 4.426,27 0.473,28 0.44,29 113.758,30 4.266,31 0.658,32 1.702,33 1.702,34 21.282,35 100.445,37 1,38 8.325,39 2.825,40 0.62,41 1.953,42 74.011,43 2,44 3,45 1,46 0.75,47 0.4,48 1,49 62.47,50 -0.14,51 1,52 75.892,53 2.912,54 11.891,56 5.548,57 0.575,58 2,59 4,60 4.983,61 0.129,62 3,63 0.595,64 5.13,65 1.45,66 4.114}
{0 CHEMBL227744,1 106.016,2 106.016,3 0.129,4 1,5 5,6 0.263,8 110.949,9 9,10 0.766,11 3,12 0.656,14 8,15 224.591,16 224.591,17 219.043,18 159.55,19 159.55,20 30.037,21 1.048,22 88.464,23 201.155,24 0.528,25 70.698,26 4.975,27 0.358,28 0.422,29 127.701,30 4.266,31 0.668,32 1.835,33 1.835,34 36.517,35 113.144,38 8.944,39 3.444,40 0.695,41 2,42 65.657,43 1,44 3,45 1,46 0.75,47 0.159,48 1,49 63.812,50 -0.184,52 118.575,53 3.025,54 11.724,56 5.548,57 0.438,58 1,59 4,60 5.13,62 4,63 0.837,64 6.351,65 1.56,66 6.134}
{0 CHEMBL228077,1 174.934,2 174.934,3 0.444,4 3,5 8,6 0.293,7 3,8 128.279,9 12,10 1.002,11 6,12 0.896,13 1,14 11,15 275.971,16 275.971,17 270.424,18 206.47,19 206.47,20 43.115,21 1.029,22 92.352,23 216.514,24 0.545,25 123.488,26 4.983,27 0.458,28 0.436,29 159.219,30 4.885,31 0.954,32 1.755,33 1.755,34 32.167,35 151.803,37 2,38 8.5,39 3,40 0.644,41 1.953,42 130.297,43 3,44 4,46 0.5,47 1.2,48 2,49 94.907,50 -0.104,51 1,52 101.037,53 3.205,54 15.851,55 0.129,56 5.548,57 0.768,58 3,59 5,60 5.13,61 0.263,62 4,63 0.689,64 6.999,65 1.482,66 4.143}
{0 CHEMBL2326356,1 120.5,2 120.5,5 6,6 0.092,8 35.485,9 6,10 0.221,11 4,12 0.329,14 6,15 120.5,16 120.5,17 120.5,18 93.09,19 93.09,21 0.985,22 26.754,23 99.365,24 0.6,25 36.65,26 4.359,27 0.957,28 0.481,29 31.655,30 4.032,31 0.311,32 1.337,33 1.337,34 12.603,35 42.348,38 7.484,39 1.984,40 0.53,41 0.4,42 31.153,45 1,46 1,49 48.101,50 -0.001,53 0.824,54 2.4,56 87.108,57 0.299,60 4.553,63 0.069,64 4.561,65 1.019,66 4.199}
{0 CHEMBL2326357,1 105.614,2 105.614,5 6,6 0.093,8 34.622,9 6,10 0.238,11 4,12 0.328,14 6,15 105.614,16 105.614,17 105.614,18 84.3,19 84.3,21 0.984,22 27.835,23 99.365,24 0.61,25 37.274,26 4.346,27 1.08,28 0.482,29 34.599,30 4.032,31 0.354,32 1.326,33 1.326,34 13.479,35 45.013,38 7.47,39 1.97,40 0.526,41 0.8,42 32.61,45 1,46 1,49 50.718,50 0.008,53 1.072,54 3.2,56 98.629,57 0.312,60 4.552,63 0.089,64 4.561,65 0.944,66 4.011}
{0 CHEMBL2326358,1 132.263,2 132.263,5 5,6 0.093,8 34.473,9 5,10 0.214,11 6,12 0.237,14 5,15 132.263,16 132.263,17 132.263,18 103.84,19 103.84,21 0.982,22 24.834,23 132.263,24 0.604,25 39.112,26 4.549,27 0.626,28 0.483,29 32.751,30 4.032,31 0.255,32 1.308,33 1.308,34 13.917,35 40.056,38 7.55,39 2.05,40 0.522,42 29.64,45 1,46 0.75,49 53.003,50 0.024,56 83.984,57 0.263,60 4.561,64 4.707,65 1.072,66 4.917}
{0 CHEMBL2326359,1 132.263,2 132.263,5 5,6 0.093,8 33.501,9 5,10 0.209,11 6,12 0.237,14 5,15 132.263,16 132.263,17 132.263,18 103.84,19 103.84,21 0.982,22 24.945,23 132.263,24 0.604,25 33.918,26 4.549,27 0.626,28 0.483,29 32.196,30 4.036,31 0.27,32 1.308,33 1.308,34 14.028,35 41.168,38 7.55,39 2.05,40 0.522,42 34.696,45 1,46 0.75,49 53.168,50 0.085,56 83.984,57 0.226,60 4.561,64 4.708,65 1.072,66 4.476}
{0 CHEMBL2326360,1 132.263,2 132.263,5 5,6 0.085,8 32.708,9 5,10 0.197,11 4,12 0.203,14 5,15 132.263,16 132.263,17 132.263,18 103.84,19 103.84,21 0.984,22 24.144,23 132.263,24 0.597,25 39.87,26 4.541,27 0.62,28 0.482,29 31.445,30 4.032,31 0.244,32 1.332,33 1.332,34 13.846,35 38.245,38 7.589,39 2.089,40 0.532,42 33.602,44 2,45 1,46 0.75,49 46.313,50 -0.01,53 0.434,54 1.043,56 83.984,57 0.253,60 4.561,63 0.035,64 4.659,65 1.028,66 4.932}
{0 CHEMBL2326361,1 130.425,2 130.425,5 5,6 0.062,8 32.635,9 5,10 0.181,11 4,12 0.186,14 5,15 130.425,16 130.425,17 130.425,18 101.61,19 101.61,21 0.988,22 19.086,23 130.425,24 0.585,25 39.67,26 4.543,27 0.5,28 0.482,29 32.882,30 4.032,31 0.227,32 1.355,33 1.355,34 14.109,35 43.827,38 7.696,39 2.196,40 0.549,42 37.653,45 1,46 1,49 48.562,50 -0.08,53 2.228,54 4.069,56 83.984,57 0.195,60 4.561,63 0.136,64 4.679,65 1.008,66 4.578}
{0 CHEMBL2332789,1 85.704,2 100.664,4 2,5 4,6 0.059,7 1,8 49.901,9 6,10 0.334,11 4,12 0.489,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.994,22 30.141,23 75.643,24 0.598,25 48.762,26 4.3,27 0.967,28 0.472,29 42.599,30 4.131,31 0.446,32 1.481,33 1.481,34 10.741,35 55.866,38 7.673,39 2.173,40 0.549,41 0.4,42 54.038,43 1,44 1,45 1,46 1,49 57.058,50 0.046,52 25.96,53 1.138,54 3.32,56 74.508,57 0.461,58 3,60 4.544,62 1,63 0.111,64 4.626,65 1.121,66 4.398}
{0 CHEMBL2332790,1 85.704,2 100.664,4 2,5 4,6 0.059,7 1,8 49.901,9 6,10 0.334,11 4,12 0.489,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.994,22 30.141,23 75.643,24 0.598,25 48.762,26 4.3,27 0.967,28 0.472,29 42.599,30 4.131,31 0.446,32 1.481,33 1.481,34 10.741,35 55.866,38 7.673,39 2.173,40 0.549,41 0.4,42 54.038,43 1,44 1,45 1,46 1,49 57.058,50 0.046,52 25.96,53 1.138,54 3.32,56 74.508,57 0.461,58 3,60 4.544,62 1,63 0.111,64 4.626,65 1.121,66 4.585}
{0 CHEMBL2332791,1 85.704,2 85.704,4 2,5 4,6 0.062,7 3,8 38.669,9 6,10 0.295,11 4,12 0.448,14 5,15 96.704,16 96.704,17 96.704,18 72.2,19 72.2,21 0.992,22 24.58,23 99.831,24 0.61,25 36.987,26 4.254,27 1.139,28 0.487,29 32.192,30 4.136,31 0.399,32 1.5,33 1.5,34 9.338,35 39.842,38 7.51,39 2.01,40 0.55,41 0.4,42 36.397,43 1,44 1,45 1,46 1,49 45.01,50 -0.005,52 11,53 1.138,54 3.32,56 65.683,57 0.42,58 4,60 4.433,62 1,63 0.107,64 4.546,65 1.046,66 4.347}
{0 CHEMBL2332792,1 85.704,2 85.704,4 2,5 4,6 0.082,7 3,8 35.465,9 5,10 0.289,11 4,12 0.422,14 5,15 96.704,16 96.704,17 96.704,18 72.2,19 72.2,21 0.985,22 23.852,23 60.683,24 0.605,25 32.88,26 4.159,27 1.286,28 0.48,29 30.422,30 3.98,31 0.383,32 1.373,33 1.373,34 10.631,35 37.139,38 7.435,39 1.935,40 0.526,41 0.4,42 37.742,43 1,44 1,45 1,46 1,49 43.469,50 0.01,52 11,53 1.138,54 3.32,56 74.508,57 0.375,58 4,60 4.347,62 1,63 0.107,64 4.545,65 1.1,66 4.509}
{0 CHEMBL2332793,1 85.704,2 100.664,4 2,5 4,6 0.053,7 3,8 48.433,9 6,10 0.307,11 4,12 0.47,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.995,22 29.067,23 75.643,24 0.583,25 47.038,26 4.326,27 0.971,28 0.472,29 41.154,30 4.151,31 0.418,32 1.5,33 1.5,34 10.142,35 50.648,38 7.649,39 2.149,40 0.558,41 0.4,42 42.001,43 1,44 1,45 1,46 1,49 50.43,50 -0.008,52 25.96,53 1.138,54 3.32,56 65.683,57 0.454,58 4,60 4.544,62 1,63 0.107,64 4.631,65 1.142,66 4.167}
{0 CHEMBL2332794,1 85.704,2 100.664,4 2,5 4,6 0.053,7 3,8 48.433,9 6,10 0.307,11 4,12 0.47,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.995,22 29.067,23 75.643,24 0.583,25 47.038,26 4.326,27 0.971,28 0.472,29 41.154,30 4.151,31 0.418,32 1.5,33 1.5,34 10.142,35 50.648,38 7.649,39 2.149,40 0.558,41 0.4,42 42.001,43 1,44 1,45 1,46 1,49 50.43,50 -0.008,52 25.96,53 1.138,54 3.32,56 65.683,57 0.454,58 4,60 4.544,62 1,63 0.107,64 4.631,65 1.142,66 4.292}
{0 CHEMBL247378,1 38.996,2 38.996,5 3,6 0.14,8 25.648,9 5,10 0.332,12 0.23,14 3,15 89.743,16 89.743,17 67.41,18 74.5,19 74.5,20 20.929,21 1.05,22 37.25,23 67.41,24 0.502,26 3.215,27 0.554,28 0.447,29 40.167,30 2.997,31 0.292,32 1.851,33 1.851,34 7.515,35 27.945,38 8.375,39 2.875,40 0.743,43 2,45 1,46 1,49 15.486,50 -1.099,52 50.747,53 2.501,54 5.225,56 43.146,59 2,60 3.691,62 2,63 0.402,64 4.371,65 1.069,66 4.422}
{0 CHEMBL256147,1 100.591,2 100.591,4 1,5 4,6 0.103,8 64.272,9 6,10 0.44,11 3,12 0.371,14 6,15 168.419,16 168.419,17 168.419,18 113.73,19 113.73,20 10.29,21 1.013,22 49.805,23 150.408,24 0.589,25 48.72,26 4.067,27 0.521,28 0.444,29 71.494,30 3.569,31 0.336,32 1.629,33 1.629,34 18.475,35 53.511,38 8.397,39 2.897,40 0.587,41 1.233,42 33.222,44 2,45 1,46 0.75,47 0.159,48 1,49 41.41,50 -0.061,52 67.828,53 2.558,54 8.068,56 8.396,57 0.301,58 1,59 2,60 4.327,62 2,63 0.672,64 4.975,65 1.353,66 5.155}
{0 CHEMBL262040,1 82.58,2 82.58,5 3,6 0.044,8 15.116,9 4,10 0.1,12 0.109,14 3,15 82.58,16 82.58,17 82.58,18 61.9,19 90.14,21 0.993,22 10.166,23 64.569,24 0.597,25 13.34,26 3.611,27 0.776,28 0.502,29 20.405,30 3.23,31 0.152,32 1.552,33 1.552,34 8.621,35 24.623,38 7.719,39 2.219,40 0.571,41 0.522,42 20.769,45 1,46 1,49 19.208,50 -0.032,53 0.949,54 2.485,56 64.507,57 0.079,59 1,60 3.875,63 0.146,64 4.615,65 1.019,66 6.337}
{0 CHEMBL296102,1 156.924,2 156.924,4 1,5 7,6 0.217,8 55.743,9 9,10 0.545,11 4,12 0.414,14 8,15 207.671,16 207.671,17 202.123,18 160.3,19 160.3,20 20.234,21 1.007,22 62.151,23 166.224,24 0.568,25 63.778,26 4.517,27 0.462,28 0.455,29 86.191,30 4.269,31 0.463,32 1.605,33 1.605,34 20.312,35 71.119,38 8.08,39 2.58,40 0.582,41 1.2,42 58.282,43 1,44 1,45 1,46 0.75,47 0.129,49 64.536,50 -0.053,51 1,52 50.747,53 2.468,54 7.458,56 43.453,57 0.43,58 1,59 3,60 5.001,62 2,63 0.324,64 5.108,65 1.302,66 4.322}
{0 CHEMBL297095,1 156.924,2 156.924,4 1,5 7,6 0.227,8 56.909,9 9,10 0.586,11 3,12 0.438,14 8,15 207.671,16 207.671,17 202.123,18 160.3,19 160.3,20 20.182,21 1.013,22 59.595,23 166.224,24 0.555,25 68.2,26 4.547,27 0.434,28 0.451,29 84.738,30 4.267,31 0.473,32 1.656,33 1.656,34 20.649,35 68.877,38 8.183,39 2.683,40 0.603,41 1.2,42 63.956,43 1,44 1,45 1,46 0.75,47 0.129,49 53.961,50 -0.117,52 50.747,53 2.468,54 7.458,56 43.453,57 0.462,58 1,59 3,60 5,62 2,63 0.355,64 5.112,65 1.335,66 4.105}
{0 CHEMBL297096,1 124.026,2 124.026,3 0.447,4 2,5 6,6 0.261,8 100.281,9 11,10 0.994,11 5,12 0.757,14 10,15 236.063,16 236.063,17 230.516,18 177.65,19 177.65,20 44.542,21 1.024,22 85.972,23 194.617,24 0.554,25 107.255,26 4.989,27 0.543,28 0.447,29 151.134,30 4.736,31 0.97,32 1.728,33 1.728,34 22.994,35 147.242,36 2,37 1,38 8.346,39 2.846,40 0.634,41 2,42 147.611,43 1,44 6,46 0.5,47 1.2,48 2,49 116.385,50 -0.071,52 112.037,53 3.355,54 16.795,55 0.129,56 63.812,57 0.821,58 2,59 5,60 5.13,61 0.196,62 5,63 0.622,64 6.999,65 1.196,66 5.301}
{0 CHEMBL297207,1 156.924,2 156.924,3 0.129,4 1,5 7,6 0.222,8 53.106,9 9,10 0.578,11 3,12 0.406,14 8,15 207.671,16 207.671,17 202.123,18 160.3,19 160.3,20 20.239,21 1.01,22 63.28,23 166.224,24 0.562,25 72.476,26 4.692,27 0.467,28 0.453,29 83.28,30 4.267,31 0.479,32 1.63,33 1.63,34 20.835,35 71.68,38 8.129,39 2.629,40 0.592,41 1.2,42 68.13,43 1,44 1,45 1,46 0.75,47 0.4,49 59.569,50 -0.071,52 50.747,53 2.513,54 8.501,56 43.453,57 0.488,58 1,59 3,60 4.997,62 2,63 0.386,64 5.037,65 1.282,66 4.4}
{0 CHEMBL311541,1 56.578,2 71.538,4 1,5 3,6 0.256,8 125.817,9 8,10 0.926,11 3,12 0.74,14 7,15 175.153,16 190.113,17 184.443,18 121.17,19 121.17,20 31.879,21 1.043,22 95.409,23 166.432,24 0.527,25 85.511,26 4.976,27 0.518,28 0.438,29 141.355,30 4.623,31 0.955,32 1.889,33 1.889,34 36.112,35 171.641,38 8.763,39 3.263,40 0.693,41 2.374,42 98.812,44 1,45 1,46 1,47 0.159,48 1,49 73.693,50 -0.171,52 133.535,53 3.074,54 11.091,56 34.099,57 0.463,58 1,59 3,60 6.351,62 4,63 0.584,64 6.999,65 1.359,66 4}
{0 CHEMBL312870,1 100.591,2 100.591,4 1,5 4,6 0.103,8 64.272,9 6,10 0.44,11 3,12 0.371,14 6,15 168.419,16 168.419,17 168.419,18 113.73,19 113.73,20 10.29,21 1.013,22 49.805,23 150.408,24 0.589,25 48.72,26 4.067,27 0.521,28 0.444,29 71.494,30 3.569,31 0.336,32 1.629,33 1.629,34 18.475,35 53.511,38 8.397,39 2.897,40 0.587,41 1.233,42 33.222,44 2,45 1,46 0.75,47 0.159,48 1,49 41.41,50 -0.061,52 67.828,53 2.558,54 8.068,56 8.396,57 0.301,58 1,59 2,60 4.327,62 2,63 0.672,64 4.975,65 1.353,66 5.229}
{0 CHEMBL312899,1 62.248,2 62.248,3 0.159,4 1,5 4,6 0.324,8 131.589,9 10,10 1.1,11 3,12 0.783,14 8,15 231.57,16 231.57,17 220.23,18 166.99,19 166.99,20 54.014,21 1.051,22 126.144,23 202.219,24 0.519,25 113.794,26 6.351,27 0.457,28 0.433,29 166.559,30 4.976,31 1.06,32 1.847,33 1.847,34 41.568,35 171.642,38 8.833,39 3.333,40 0.717,41 2.612,42 124.289,44 2,45 1,46 1,47 0.4,48 1,49 92.586,50 0.03,52 169.322,53 3.491,54 16.316,56 39.769,57 0.583,58 1,59 5,60 6.999,62 6,63 0.777,64 6.999,65 1.383,66 4.222}
{0 CHEMBL329883,1 56.578,2 56.578,4 1,5 3,6 0.204,8 85.11,9 7,10 0.694,11 3,12 0.51,14 6,15 175.153,16 175.153,17 169.483,18 121.17,19 121.17,20 31.912,21 1.028,22 79,23 151.472,24 0.539,25 51.424,26 4.727,27 0.458,28 0.446,29 101.147,30 4.157,31 0.59,32 1.729,33 1.729,34 22.724,35 100.196,38 8.519,39 3.019,40 0.647,41 2.374,42 62.766,44 1,45 1,46 1,47 0.159,48 1,49 55.124,50 -0.172,52 118.575,53 3.074,54 11.091,56 43.575,57 0.297,58 1,59 3,60 4.976,62 4,63 0.616,64 6.351,65 1.359,66 4}
{0 CHEMBL333229,1 100.591,2 100.591,4 1,5 4,6 0.09,8 67.154,9 6,10 0.386,11 3,12 0.4,14 6,15 168.419,16 168.419,17 168.419,18 113.73,19 113.73,20 10.336,21 1.008,22 48.548,23 150.408,24 0.597,25 52.218,26 4.082,27 0.495,28 0.448,29 64.314,30 3.679,31 0.351,32 1.592,33 1.592,34 17.09,35 53.584,38 8.298,39 2.798,40 0.573,41 1.233,42 33.934,44 2,45 1,46 0.75,47 0.159,48 1,49 48.3,50 -0.01,52 67.828,53 2.558,54 8.068,56 8.825,57 0.318,58 1,59 2,60 4.319,62 2,63 0.621,64 4.975,65 1.441,66 5.022}
{0 CHEMBL340224,1 100.591,2 100.591,3 0.124,4 1,5 4,6 0.101,8 76.473,9 6,10 0.427,11 3,12 0.37,14 6,15 168.419,16 168.419,17 168.419,18 113.73,19 113.73,20 10.349,21 1.012,22 52.992,23 173.729,24 0.563,25 52.558,26 4.277,27 0.525,28 0.451,29 82.46,30 3.89,31 0.316,32 1.647,33 1.647,34 25.039,35 65.437,38 8.411,39 2.911,40 0.595,41 1.254,42 34.324,43 1,44 2,45 1,46 0.75,47 0.159,48 1,49 54.693,50 -0.066,52 67.828,53 2.645,54 9.386,57 0.316,58 1,59 2,60 4.975,62 2,63 0.67,64 5.132,65 1.344,66 6.092}
{0 CHEMBL346781,1 205.565,2 205.565,3 0.47,4 3,5 10,6 0.327,7 3,8 138.395,9 14,10 1.093,11 6,12 0.994,13 1,14 12,15 306.602,16 306.602,17 285.739,18 229.21,19 229.21,20 43.86,21 1.039,22 98.301,23 247.144,24 0.532,25 143.773,26 5.13,27 0.461,28 0.433,29 170.628,30 4.884,31 1.144,32 1.809,33 1.809,34 38.815,35 205.611,36 2,37 2,38 8.58,39 3.08,40 0.679,41 1.978,42 164.347,43 3,44 5,46 0.5,47 1.2,48 2,49 112.482,50 -0.127,51 2,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.933,58 3,59 7,60 6.727,61 0.224,62 4,63 0.633,64 6.999,65 1.482,66 4}
{0 CHEMBL348164,1 174.934,2 174.934,3 0.617,4 3,5 8,6 0.293,7 3,8 128.543,9 12,10 1.036,11 6,12 0.865,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.83,21 1.029,22 92.739,23 249.411,24 0.546,25 121.892,26 5.01,27 0.455,28 0.436,29 171.159,30 4.978,31 1.076,32 1.755,33 1.755,34 36.998,35 208.355,36 1,37 2,38 8.543,39 3.043,40 0.644,41 2,42 138.032,43 4,44 5,46 0.5,47 1.2,48 2,49 105.5,50 -0.083,51 4,52 101.037,53 3.218,54 15.907,55 0.086,56 8.672,57 0.784,58 3,59 5,60 5.13,61 0.129,62 4,63 0.692,64 6.999,65 1.408,66 4}
{0 CHEMBL348768,1 174.934,2 174.934,3 0.617,4 3,5 8,6 0.293,7 3,8 128.543,9 12,10 1.036,11 6,12 0.865,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.83,21 1.029,22 92.739,23 249.411,24 0.546,25 121.892,26 5.01,27 0.455,28 0.436,29 171.159,30 4.978,31 1.076,32 1.755,33 1.755,34 36.998,35 208.355,36 1,37 2,38 8.543,39 3.043,40 0.644,41 2,42 138.032,43 4,44 5,46 0.5,47 1.2,48 2,49 105.5,50 -0.083,51 4,52 101.037,53 3.218,54 15.907,55 0.086,56 8.672,57 0.784,58 3,59 5,60 5.13,61 0.129,62 4,63 0.692,64 6.999,65 1.408,66 4}
{0 CHEMBL349700,1 174.934,2 174.934,3 0.47,4 3,5 8,6 0.293,7 3,8 124.241,9 12,10 0.995,11 6,12 0.896,13 1,14 11,15 275.971,16 275.971,17 270.424,18 206.47,19 206.47,20 43.627,21 1.029,22 92.602,23 216.514,24 0.545,25 133.904,26 5.009,27 0.458,28 0.436,29 153.113,30 4.883,31 0.988,32 1.755,33 1.755,34 32.167,35 173.364,36 1,37 2,38 8.5,39 3,40 0.644,41 1.978,42 127.961,43 3,44 5,46 0.5,47 1.2,48 2,49 97.042,50 -0.168,51 1,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.847,58 3,59 5,60 5.13,61 0.224,62 4,63 0.688,64 6.999,65 1.482,66 4}
{0 CHEMBL350765,1 174.934,2 174.934,3 0.617,4 3,5 8,6 0.293,7 3,8 128.543,9 12,10 1.036,11 6,12 0.865,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.83,21 1.029,22 92.739,23 249.411,24 0.546,25 121.892,26 5.01,27 0.455,28 0.436,29 171.159,30 4.978,31 1.076,32 1.755,33 1.755,34 36.998,35 208.355,36 1,37 2,38 8.543,39 3.043,40 0.644,41 2,42 138.032,43 4,44 5,46 0.5,47 1.2,48 2,49 105.5,50 -0.083,51 4,52 101.037,53 3.218,54 15.907,55 0.086,56 8.672,57 0.784,58 3,59 5,60 5.13,61 0.129,62 4,63 0.692,64 6.999,65 1.408,66 4}
{0 CHEMBL351438,1 205.565,2 205.565,3 0.47,4 3,5 10,6 0.327,7 3,8 138.395,9 14,10 1.093,11 6,12 0.994,13 1,14 12,15 306.602,16 306.602,17 285.739,18 229.21,19 229.21,20 43.86,21 1.039,22 98.301,23 247.144,24 0.532,25 143.773,26 5.13,27 0.461,28 0.433,29 170.628,30 4.884,31 1.144,32 1.809,33 1.809,34 38.815,35 205.611,36 2,37 2,38 8.58,39 3.08,40 0.679,41 1.978,42 164.347,43 3,44 5,46 0.5,47 1.2,48 2,49 112.482,50 -0.127,51 2,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.933,58 3,59 7,60 6.727,61 0.224,62 4,63 0.633,64 6.999,65 1.482,66 4}
{0 CHEMBL351833,1 174.934,2 174.934,3 0.47,4 3,5 8,6 0.293,7 3,8 124.241,9 12,10 0.995,11 6,12 0.896,13 1,14 11,15 275.971,16 275.971,17 270.424,18 206.47,19 206.47,20 43.627,21 1.029,22 92.602,23 216.514,24 0.545,25 133.904,26 5.009,27 0.458,28 0.436,29 153.113,30 4.883,31 0.988,32 1.755,33 1.755,34 32.167,35 173.364,36 1,37 2,38 8.5,39 3,40 0.644,41 1.978,42 127.961,43 3,44 5,46 0.5,47 1.2,48 2,49 97.042,50 -0.168,51 1,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.847,58 3,59 5,60 5.13,61 0.224,62 4,63 0.688,64 6.999,65 1.482,66 4}
{0 CHEMBL352122,1 205.565,2 205.565,3 0.47,4 3,5 10,6 0.327,7 3,8 138.395,9 14,10 1.093,11 6,12 0.994,13 1,14 12,15 306.602,16 306.602,17 285.739,18 229.21,19 229.21,20 43.86,21 1.039,22 98.301,23 247.144,24 0.532,25 143.773,26 5.13,27 0.461,28 0.433,29 170.628,30 4.884,31 1.144,32 1.809,33 1.809,34 38.815,35 205.611,36 2,37 2,38 8.58,39 3.08,40 0.679,41 1.978,42 164.347,43 3,44 5,46 0.5,47 1.2,48 2,49 112.482,50 -0.127,51 2,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.933,58 3,59 7,60 6.727,61 0.224,62 4,63 0.633,64 6.999,65 1.482,66 4}
{0 CHEMBL352160,1 160.048,2 204.928,3 1.5,4 3,5 8,6 0.473,7 3,8 288.022,9 16,10 1.723,11 6,12 1.71,13 1,14 15,15 286.23,16 331.11,17 325.562,18 214.75,19 214.75,20 55.377,21 1.061,22 238.104,23 286.539,24 0.518,25 405.865,26 7.425,27 0.419,28 0.422,29 308.712,30 7.42,31 1.941,32 2.03,33 2.03,34 83.832,35 361.395,36 1,37 3,38 9.032,39 3.532,40 0.74,41 2.006,42 320.968,43 4,44 6,46 0.5,47 1.915,48 3,49 188.828,50 -0.17,51 3,52 171.062,53 3.929,54 26.982,55 0.617,56 8.672,57 2.056,58 3,59 6,60 7.438,61 1.2,62 5,63 0.93,64 7.818,65 1.339,66 4}
{0 CHEMBL354705,1 205.565,2 205.565,3 0.47,4 3,5 10,6 0.327,7 3,8 138.395,9 14,10 1.093,11 6,12 0.994,13 1,14 12,15 306.602,16 306.602,17 285.739,18 229.21,19 229.21,20 43.86,21 1.039,22 98.301,23 247.144,24 0.532,25 143.773,26 5.13,27 0.461,28 0.433,29 170.628,30 4.884,31 1.144,32 1.809,33 1.809,34 38.815,35 205.611,36 2,37 2,38 8.58,39 3.08,40 0.679,41 1.978,42 164.347,43 3,44 5,46 0.5,47 1.2,48 2,49 112.482,50 -0.127,51 2,52 101.037,53 3.205,54 15.826,55 0.129,56 5.548,57 0.933,58 3,59 7,60 6.727,61 0.224,62 4,63 0.633,64 6.999,65 1.482,66 4}
{0 CHEMBL375895,1 134.713,2 134.713,3 1.886,4 3,5 5,6 0.279,8 196.112,9 11,10 1.22,11 5,12 1.089,13 2,14 11,15 303.121,16 303.121,17 303.121,18 207.7,19 207.7,20 55.821,21 1.04,22 113.78,23 267.1,24 0.539,25 289.092,26 6.351,27 0.485,28 0.432,29 225.009,30 4.987,31 1.313,32 1.799,33 1.799,34 54.087,35 270.62,36 2,37 4,38 8.924,39 3.424,40 0.676,41 1.984,42 218.043,43 6,44 5,46 0.5,47 1.886,48 5,49 205.02,50 -0.035,51 1,52 168.408,53 3.548,54 21.347,55 0.213,56 8.825,57 1.343,58 3,59 5,60 7.423,61 0.373,62 6,63 1.017,64 7.428,65 1.518,66 6.143}
{0 CHEMBL375949,1 138.913,2 138.913,4 1,5 7,6 0.298,8 81.843,9 10,10 0.787,11 3,12 0.646,14 9,15 232.465,16 232.465,17 226.918,18 171.74,19 171.74,20 20.007,21 1.023,22 68.817,23 209.03,24 0.564,25 70.356,26 4.991,27 0.56,28 0.433,29 114.23,30 4.267,31 0.702,32 1.679,33 1.679,34 26.493,35 103.877,38 8.472,39 2.972,40 0.615,41 1.812,42 81.67,43 1,44 3,45 1,46 0.75,47 0.129,49 89.363,50 -0.045,51 2,52 93.553,53 2.828,54 10.283,56 5.548,57 0.528,58 1,59 3,60 5.01,62 3,63 0.605,64 5.13,65 1.519,66 4.137}
{0 CHEMBL413545,1 134.468,2 134.468,4 1,5 5,6 0.16,8 79.098,9 7,10 0.512,11 3,12 0.49,14 7,15 202.296,16 202.296,17 202.296,18 139.42,19 139.42,20 10.281,21 1.016,22 52.793,23 166.397,24 0.566,25 60.184,26 4.131,27 0.613,28 0.436,29 81.437,30 3.615,31 0.385,32 1.62,33 1.62,34 25.377,35 59.351,38 8.487,39 2.987,40 0.591,41 0.868,42 43.148,44 2,45 1,46 0.75,47 0.124,48 1,49 45.402,50 -0.067,52 67.828,53 2.432,54 7.051,57 0.396,58 2,59 1,60 4.908,62 2,63 0.588,64 4.976,65 1.585,66 6}
{0 CHEMBL419740,1 82.58,2 82.58,5 3,6 0.045,8 20.188,9 3,10 0.083,12 0.115,14 3,15 82.58,16 82.58,17 82.58,18 61.9,19 61.9,21 0.989,22 11.976,23 64.569,24 0.591,25 15.719,26 3.6,27 0.724,28 0.475,29 16.558,30 3.041,31 0.112,32 1.388,33 1.388,34 8.291,35 18.757,38 7.833,39 2.333,40 0.54,41 0.522,42 20.513,45 1,46 1,49 13.928,50 -0.027,53 1.471,54 3.951,56 46.73,57 0.076,59 1,60 3.634,63 0.329,64 3.93,65 1.136,66 5.959}
{0 CHEMBL420637,1 156.924,2 156.924,3 0.323,4 2,5 7,6 0.325,8 142.684,9 12,10 1.07,11 5,12 0.917,14 11,15 300.644,16 300.644,17 295.096,18 214.67,19 214.67,20 42.679,21 1.036,22 109.836,23 259.197,24 0.541,25 137.182,26 5.13,27 0.423,28 0.43,29 175.361,30 5.007,31 1.161,32 1.782,33 1.782,34 43.313,35 216.757,36 2,37 1,38 8.735,39 3.235,40 0.659,41 2,42 159.153,43 3,44 3,46 0.5,47 1.2,48 2,49 166.834,50 -0.1,51 1,52 143.72,53 3.302,54 16.089,55 0.064,56 5.548,57 0.835,58 2,59 5,60 6.351,61 0.129,62 5,63 0.766,64 6.999,65 1.543,66 4.009}
{0 CHEMBL42093,1 156.924,2 156.924,4 1,5 7,6 0.222,8 54.504,9 9,10 0.601,11 3,12 0.399,14 8,15 207.671,16 207.671,17 202.123,18 160.3,19 160.3,20 20.212,21 1.01,22 61.113,23 166.224,24 0.562,25 71.503,26 4.526,27 0.467,28 0.453,29 90.546,30 4.268,31 0.508,32 1.63,33 1.63,34 20.585,35 74.033,38 8.129,39 2.629,40 0.592,41 1.2,42 61.612,43 1,44 1,45 1,46 0.75,47 0.129,49 59.983,50 -0.06,52 50.747,53 2.513,54 7.973,56 43.453,57 0.486,58 1,59 3,60 5,62 2,63 0.362,64 5.103,65 1.282,66 4.065}
{0 CHEMBL427286,1 156.924,2 156.924,3 1.2,4 3,5 8,6 0.364,7 3,8 160.225,9 13,10 1.281,11 6,12 1.07,13 1,14 12,15 300.766,16 300.766,17 295.219,18 217.91,19 217.91,20 43.29,21 1.036,22 97.441,23 259.32,24 0.538,25 137.722,26 5.13,27 0.504,28 0.432,29 202.248,30 4.981,31 1.231,32 1.789,33 1.789,34 40.448,35 193.067,37 2,38 8.604,39 3.104,40 0.662,41 2,42 165.089,43 3,44 6,46 0.5,47 1.257,48 2,49 117.438,50 0.006,51 2,52 143.842,53 3.394,54 18.675,55 0.129,56 5.548,57 0.871,58 3,59 5,60 6.464,61 0.444,62 5,63 0.778,64 6.999,65 1.477,66 4.456}
{0 CHEMBL442999,1 156.924,2 156.924,4 1,5 7,6 0.217,8 54.649,9 9,10 0.555,11 4,12 0.409,14 8,15 207.671,16 207.671,17 202.123,18 160.3,19 160.3,20 20.237,21 1.007,22 61.977,23 166.224,24 0.568,25 67.133,26 4.522,27 0.462,28 0.455,29 88.966,30 4.27,31 0.501,32 1.605,33 1.605,34 20.336,35 75.47,38 8.08,39 2.58,40 0.582,41 1.2,42 57.571,43 1,44 1,45 1,46 0.75,47 0.129,49 65.514,50 -0.063,52 50.747,53 2.468,54 7.458,56 43.453,57 0.446,58 1,59 3,60 5.001,62 2,63 0.324,64 5.102,65 1.302,66 4.521}
{0 CHEMBL446971,1 85.704,2 100.664,4 1,5 4,6 0.053,7 1,8 47.903,9 6,10 0.315,11 3,12 0.461,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.995,22 28.83,23 75.643,24 0.588,25 47.64,26 4.268,27 0.987,28 0.471,29 39.995,30 4.081,31 0.453,32 1.502,33 1.502,34 9.729,35 53.048,38 7.685,39 2.185,40 0.555,41 0.4,42 41.778,43 1,44 1,45 1,46 1,49 52.068,50 0.018,52 25.96,53 1.138,54 3.32,56 65.683,57 0.466,58 2,60 4.543,62 1,63 0.114,64 4.626,65 1.118,66 4.509}
{0 CHEMBL450583,1 49.683,2 49.683,4 1,5 2,6 0.04,8 19.474,9 2,10 0.101,11 2,12 0.122,14 2,15 49.683,16 49.683,17 49.683,18 38.38,19 38.38,21 0.979,22 13.654,23 49.683,24 0.63,25 5.828,26 3.622,27 0.714,28 0.485,29 15.319,30 3.392,31 0.089,32 1.27,33 1.27,34 7.596,35 17.89,38 7.59,39 2.09,40 0.507,41 0.522,42 15.96,45 1,46 1,49 16.405,50 -0.187,53 1.559,54 3.839,56 65.032,57 0.029,58 1,59 1,60 3.674,63 0.295,64 3.919,65 1.123,66 4.097}
{0 CHEMBL45132,1 156.924,2 156.924,4 1,5 7,6 0.217,8 55.698,9 9,10 0.528,11 4,12 0.421,14 8,15 207.671,16 207.671,17 202.123,18 160.3,19 160.3,20 20.268,21 1.007,22 64.161,23 166.224,24 0.568,25 66.774,26 4.735,27 0.462,28 0.455,29 81.881,30 4.267,31 0.432,32 1.605,33 1.605,34 20.562,35 65.452,38 8.08,39 2.58,40 0.582,41 1.2,42 61.053,43 1,44 1,45 1,46 0.75,47 0.129,49 64.472,50 -0.073,51 1,52 50.747,53 2.468,54 7.458,56 43.453,57 0.438,58 1,59 3,60 4.998,62 2,63 0.324,64 5.018,65 1.302,66 4}
{0 CHEMBL451541,1 110.339,2 64.385,5 3,6 0.056,8 11.166,9 4,10 0.128,12 0.105,14 2,15 64.385,16 64.385,17 47.722,18 52.47,19 52.47,21 1.026,22 7.218,23 47.722,24 0.633,26 3.205,27 0.675,28 0.544,29 17.905,30 2.373,31 0.108,32 1.703,33 1.703,34 4.356,35 13.535,38 7.951,39 2.451,40 0.679,43 1,45 1,46 1,49 12.016,50 -0.51,53 2.228,54 4.069,56 28.429,60 3.284,63 0.313,64 3.77,65 0.78,66 4.886}
{0 CHEMBL469987,1 85.704,2 100.664,4 1,5 4,6 0.053,7 1,8 47.903,9 6,10 0.315,11 3,12 0.461,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.995,22 28.83,23 75.643,24 0.588,25 47.64,26 4.268,27 0.987,28 0.471,29 39.995,30 4.081,31 0.453,32 1.502,33 1.502,34 9.729,35 53.048,38 7.685,39 2.185,40 0.555,41 0.4,42 41.778,43 1,44 1,45 1,46 1,49 52.068,50 0.018,52 25.96,53 1.138,54 3.32,56 65.683,57 0.466,58 2,60 4.543,62 1,63 0.114,64 4.626,65 1.118,66 4.509}
{0 CHEMBL470193,1 103.715,2 118.675,4 1,5 5,6 0.049,7 1,8 61.375,9 7,10 0.319,11 3,12 0.438,14 7,15 128.86,16 143.82,17 143.82,18 92.07,19 92.07,20 12.274,21 0.999,22 30.458,23 89.788,24 0.578,25 60.799,26 4.41,27 0.7,28 0.469,29 53.1,30 4.214,31 0.524,32 1.549,33 1.549,34 9.929,35 78.945,37 1,38 7.827,39 2.327,40 0.569,41 0.465,42 53.827,43 3,44 1,45 1,46 1,47 0.132,48 1,49 62.323,50 -0.097,52 40.105,53 2.108,54 5.904,56 65.683,57 0.454,58 2,59 1,60 4.577,62 1,63 0.197,64 4.647,65 1.138,66 4.569}
{0 CHEMBL474637,1 103.715,2 103.715,4 1,5 5,6 0.073,7 1,8 33.648,9 6,10 0.293,11 2,12 0.324,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.99,22 22.793,23 88.831,24 0.616,25 33.266,26 4.156,27 1.004,28 0.489,29 31.199,30 3.981,31 0.336,32 1.446,33 1.446,34 9.362,35 34.117,38 7.524,39 2.024,40 0.542,41 0.4,42 32.318,43 2,44 1,45 1,46 1,49 41.321,50 0.036,53 0.918,54 2.915,56 65.683,57 0.351,58 2,60 4.374,63 0.104,64 4.46,65 1.011,66 4.071}
{0 CHEMBL479014,1 84.95,2 38.996,5 3,6 0.148,8 27.632,9 6,10 0.36,12 0.28,14 3,15 89.743,16 89.743,17 67.41,18 74.5,19 74.5,20 21.121,21 1.063,22 39.119,23 67.41,24 0.608,26 3.277,27 0.53,28 0.515,29 41.039,30 3.194,31 0.309,32 2.064,33 2.064,34 9.281,35 31.485,38 8.34,39 2.84,40 0.771,43 2,45 1,46 1,49 18.58,50 -0.679,52 50.747,53 2.501,54 5.225,56 34.099,59 2,60 3.764,62 2,63 0.373,64 4.372,65 0.803,66 5.699}
{0 CHEMBL479469,1 103.715,2 103.715,4 1,5 5,6 0.089,7 1,8 30.4,9 5,10 0.271,11 2,12 0.302,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.982,22 22.684,23 49.683,24 0.611,25 30.758,26 3.983,27 1.175,28 0.481,29 28.937,30 3.935,31 0.33,32 1.317,33 1.317,34 10.875,35 34.409,38 7.442,39 1.942,40 0.518,41 0.4,42 30.777,43 2,44 1,45 1,46 1,49 40.074,50 0.017,53 0.918,54 2.915,56 74.508,57 0.308,58 2,60 4.239,63 0.104,64 4.446,65 1.071,66 4.143}
{0 CHEMBL479666,1 103.715,2 103.715,4 1,5 5,6 0.059,7 1,8 42.552,9 7,10 0.315,11 2,12 0.39,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.996,22 22.781,23 127.98,24 0.632,25 40.419,26 4.347,27 0.902,28 0.497,29 35.23,30 4.125,31 0.409,32 1.525,33 1.525,34 9.246,35 42.393,38 7.588,39 2.088,40 0.562,41 0.4,42 36.237,43 2,44 1,45 1,46 1,49 47.17,50 0.032,53 0.918,54 2.915,56 56.206,57 0.431,58 2,60 4.457,63 0.101,64 4.492,65 0.925,66 4.387}
{0 CHEMBL479667,1 103.715,2 103.715,4 1,5 5,6 0.059,7 1,8 35.927,9 7,10 0.431,11 2,12 0.332,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.996,22 23.622,23 127.98,24 0.632,25 37.797,26 4.274,27 0.902,28 0.497,29 44.952,30 4.066,31 0.363,32 1.525,33 1.525,34 9.246,35 39.267,38 7.588,39 2.088,40 0.562,41 0.4,42 38.511,43 2,44 1,45 1,46 1,49 47.173,50 0.008,53 0.918,54 2.915,56 56.206,57 0.384,58 2,60 4.45,63 0.101,64 4.582,65 0.925,66 4.523}
{0 CHEMBL480247,1 103.715,2 103.715,4 2,5 5,6 0.078,7 1,8 36.087,9 6,10 0.33,11 3,12 0.346,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.988,22 24.322,23 88.831,24 0.626,25 38.538,26 4.206,27 0.974,28 0.489,29 34.828,30 3.981,31 0.355,32 1.428,33 1.428,34 10.608,35 37.031,38 7.516,39 2.016,40 0.537,41 0.4,42 39.406,43 2,44 1,45 1,46 1,49 45.631,50 0.025,53 0.918,54 2.915,56 74.508,57 0.378,58 3,60 4.378,63 0.101,64 4.472,65 1.019,66 4.398}
{0 CHEMBL480254,1 103.715,2 103.715,4 1,5 5,6 0.073,7 1,8 32.99,9 6,10 0.284,11 2,12 0.324,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.99,22 22.904,23 88.831,24 0.616,25 35.838,26 4.187,27 1.004,28 0.489,29 30.05,30 3.982,31 0.405,32 1.446,33 1.446,34 9.362,35 39.883,38 7.524,39 2.024,40 0.542,41 0.4,42 33.032,43 2,44 1,45 1,46 1,49 41.495,50 0.016,53 0.918,54 2.915,56 65.683,57 0.388,58 2,60 4.368,63 0.104,64 4.457,65 1.011,66 4.081}
{0 CHEMBL480255,1 103.715,2 148.595,4 1,5 5,6 0.092,7 1,8 53.761,9 8,10 0.604,11 2,12 0.397,14 8,15 103.715,16 148.595,17 148.595,18 75,19 75,21 1.009,22 145.855,23 94.563,24 0.57,25 71.802,26 4.581,27 0.494,28 0.461,29 89,30 4.444,31 0.631,32 1.566,33 1.566,34 23.068,35 87.94,38 8.043,39 2.543,40 0.597,41 0.657,42 91.205,43 2,44 1,45 1,46 1,47 0.4,49 66.73,50 0.053,52 44.88,53 3.107,54 10.565,56 65.683,57 0.553,58 2,60 4.705,63 0.341,64 5.163,65 1.061,66 4.076}
{0 CHEMBL480418,1 103.715,2 118.675,4 1,5 5,6 0.071,7 1,8 44.796,9 6,10 0.307,11 3,12 0.37,14 6,15 103.715,16 118.675,17 118.675,18 75,19 75,21 0.991,22 26.708,23 64.643,24 0.592,25 39.589,26 4.255,27 0.84,28 0.474,29 38.792,30 3.982,31 0.356,32 1.428,33 1.428,34 9.898,35 40.018,38 7.648,39 2.148,40 0.544,41 0.4,42 45.839,43 2,44 1,45 1,46 1,49 49.82,50 -0.025,52 14.96,53 0.673,54 2.4,56 65.683,57 0.369,58 2,60 4.448,63 0.083,64 4.58,65 1.135,66 4.745}
{0 CHEMBL480419,1 103.715,2 118.675,4 1,5 5,6 0.071,7 1,8 42.881,9 6,10 0.29,11 3,12 0.37,14 6,15 103.715,16 118.675,17 118.675,18 75,19 75,21 0.991,22 26.819,23 64.643,24 0.592,25 42.501,26 4.26,27 0.84,28 0.474,29 37.262,30 3.983,31 0.418,32 1.428,33 1.428,34 9.898,35 49.36,38 7.648,39 2.148,40 0.544,41 0.4,42 37.048,43 2,44 1,45 1,46 1,49 50.462,50 0.019,52 14.96,53 0.673,54 2.4,56 65.683,57 0.39,58 2,60 4.448,63 0.083,64 4.58,65 1.135,66 4.553}
{0 CHEMBL481815,1 103.715,2 103.715,4 1,5 5,6 0.073,7 1,8 33.648,9 6,10 0.293,11 2,12 0.324,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.99,22 22.793,23 88.831,24 0.616,25 33.266,26 4.156,27 1.004,28 0.489,29 31.199,30 3.981,31 0.336,32 1.446,33 1.446,34 9.362,35 34.117,38 7.524,39 2.024,40 0.542,41 0.4,42 32.318,43 2,44 1,45 1,46 1,49 41.321,50 0.036,53 0.918,54 2.915,56 65.683,57 0.351,58 2,60 4.374,63 0.104,64 4.46,65 1.011,66 4.071}
{0 CHEMBL481816,1 88.829,2 103.789,4 1,5 5,6 0.07,7 1,8 39.905,9 6,10 0.292,11 3,12 0.367,14 6,15 88.829,16 103.789,17 103.789,18 66.21,19 66.21,21 0.99,22 27.426,23 64.643,24 0.604,25 41.382,26 4.26,27 0.911,28 0.474,29 36.95,30 4.019,31 0.491,32 1.412,33 1.412,34 10.229,35 53.147,38 7.625,39 2.125,40 0.539,41 0.4,42 38.36,43 1,44 1,45 1,46 1,49 53.569,50 0.049,52 14.96,53 0.956,54 3.2,56 77.203,57 0.402,58 2,60 4.436,63 0.107,64 4.578,65 1.043,66 4.034}
{0 CHEMBL484298,1 64.385,2 64.385,5 3,6 0.042,8 9,9 3,10 0.092,12 0.048,14 2,15 64.385,16 64.385,17 47.722,18 52.47,19 52.47,21 1.012,22 5.111,23 47.722,24 0.519,26 3.013,27 0.87,28 0.473,29 16.25,30 2.099,31 0.083,32 1.477,33 1.477,34 3.722,35 11.5,38 7.955,39 2.455,40 0.65,43 1,45 1,46 1,49 9.667,50 -1.051,53 2.228,54 4.069,56 37.476,60 3.217,63 0.339,64 3.701,65 0.949,66 4.523}
{0 CHEMBL512136,1 85.704,2 100.664,4 1,5 4,6 0.053,7 1,8 46.165,9 6,10 0.283,11 3,12 0.421,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.995,22 29.259,23 75.643,24 0.588,25 44.756,26 4.4,27 0.997,28 0.471,29 38.951,30 3.987,31 0.45,32 1.502,33 1.502,34 9.562,35 53.626,38 7.685,39 2.185,40 0.555,41 0.4,42 36.465,43 2,45 1,46 1,49 51.476,50 0.053,52 25.96,53 1.138,54 3.32,56 65.683,57 0.414,58 2,60 4.538,62 1,63 0.114,64 4.582,65 1.106,66 4.481}
{0 CHEMBL517995,1 103.715,2 103.715,4 1,5 5,6 0.089,7 1,8 29.894,9 5,10 0.253,11 3,12 0.321,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.982,22 22.407,23 49.683,24 0.603,25 30.704,26 3.983,27 1.187,28 0.481,29 27.391,30 3.945,31 0.343,32 1.317,33 1.317,34 10.75,35 34.402,38 7.436,39 1.936,40 0.518,41 0.4,42 30.684,43 2,44 1,45 1,46 1,49 40.065,50 -0.001,53 0.673,54 2.4,56 75.159,57 0.314,58 2,60 4.267,63 0.086,64 4.45,65 1.134,66 4.108}
{0 CHEMBL520772,1 73.942,2 88.902,4 1,5 5,6 0.07,7 1,8 37.785,9 6,10 0.308,11 3,12 0.364,14 6,15 73.942,16 88.902,17 88.902,18 57.42,19 57.42,21 0.989,22 27.899,23 64.643,24 0.616,25 54.232,26 4.261,27 0.98,28 0.475,29 38.019,30 4.034,31 0.537,32 1.396,33 1.396,34 10.741,35 53.384,38 7.603,39 2.103,40 0.534,41 0.8,42 41.315,43 1,45 1,46 1,49 56.779,50 0.003,52 14.96,53 1.176,54 4,56 88.724,57 0.506,58 2,60 4.433,63 0.129,64 4.578,65 0.961,66 4.311}
{0 CHEMBL526688,1 103.715,2 103.715,4 1,5 5,6 0.073,7 1,8 32.99,9 6,10 0.284,11 2,12 0.324,14 5,15 103.715,16 103.715,17 103.715,18 75,19 75,21 0.99,22 22.904,23 88.831,24 0.616,25 35.838,26 4.187,27 1.004,28 0.489,29 30.05,30 3.982,31 0.405,32 1.446,33 1.446,34 9.362,35 39.883,38 7.524,39 2.024,40 0.542,41 0.4,42 33.032,43 2,44 1,45 1,46 1,49 41.495,50 0.016,53 0.918,54 2.915,56 65.683,57 0.388,58 2,60 4.368,63 0.104,64 4.457,65 1.011,66 4.021}
{0 CHEMBL538500,1 82.58,2 82.58,5 3,6 0.048,8 18.988,9 4,10 0.104,11 1,12 0.139,14 3,15 82.58,16 82.58,17 82.58,18 61.9,19 90.14,21 0.99,22 11.756,23 64.569,24 0.603,25 12.636,26 3.674,27 0.763,28 0.502,29 21.446,30 3.413,31 0.121,32 1.517,33 1.517,34 8.839,35 26.544,38 7.676,39 2.176,40 0.558,42 11.379,45 1,46 1,49 21.728,50 -0.109,53 0.713,54 1.442,56 64.507,57 0.071,59 1,60 3.906,63 0.08,64 4.617,65 1.043,66 4.602}
{0 CHEMBL539004,1 82.58,2 82.58,5 3,6 0.04,8 15.318,9 4,10 0.091,12 0.108,14 3,15 82.58,16 82.58,17 82.58,18 64.4,19 92.64,21 0.997,22 8.619,23 82.58,24 0.591,25 12.253,26 3.674,27 0.629,28 0.502,29 17.211,30 3.174,31 0.109,32 1.59,33 1.59,34 8.711,35 18.822,38 7.733,39 2.233,40 0.587,42 11.493,43 1,45 1,46 1,49 15.95,50 -0.091,53 0.892,54 1.697,56 64.507,57 0.07,59 1,60 3.891,63 0.106,64 4.536,65 1.034,66 4}
{0 CHEMBL541300,1 67.693,2 67.693,5 3,6 0.09,8 37.001,9 5,10 0.32,11 2,12 0.243,14 4,15 110.377,16 110.377,17 110.377,18 68.14,19 96.38,21 0.983,22 22.022,23 74.355,24 0.636,25 47.202,26 4.243,27 0.737,28 0.496,29 56.905,30 4.19,31 0.423,32 1.399,33 1.399,34 14.499,35 63.183,38 7.557,39 2.057,40 0.524,41 0.657,42 48.71,45 1,46 0.75,49 67.638,50 -0.031,52 42.683,53 1.066,54 2.757,56 118.76,57 0.374,58 2,59 1,60 4.607,62 1,63 0.081,64 4.621,65 0.995,66 5.092}
{0 CHEMBL541555,1 49.683,2 49.683,5 2,6 0.026,8 12.344,9 3,10 0.078,12 0.1,14 2,15 49.683,16 49.683,17 49.683,18 35.88,19 64.12,21 0.992,22 6.703,23 31.672,24 0.596,25 5.724,26 3.23,27 0.673,28 0.51,29 14.692,30 3.099,31 0.084,32 1.532,33 1.532,34 5.301,35 17.502,38 7.667,39 2.167,40 0.578,42 7.714,45 1,46 1,49 13.712,50 -0.043,53 0.713,54 1.442,56 73.983,57 0.026,59 1,60 3.674,63 0.096,64 3.891,65 1.084,66 4.857}
{0 CHEMBL542183,1 68.122,2 68.122,5 4,6 0.048,7 2,8 20.125,9 4,10 0.147,11 2,12 0.182,14 3,15 68.122,16 68.122,17 66.346,18 53.7,19 53.7,21 0.998,22 12.535,23 48.335,24 0.569,25 4.181,26 3.224,27 0.808,28 0.467,29 20.049,30 2.618,31 0.101,32 1.459,33 1.459,34 5.938,35 14.681,38 7.667,39 2.167,40 0.567,41 0.135,42 8.354,45 1,46 1,49 11.539,50 -0.34,53 1.125,54 2.508,56 29.348,57 0.02,58 1,59 1,60 3.449,63 0.193,64 3.807,65 1.334,66 4.097}
{0 CHEMBL542185,1 83.009,2 83.009,5 4,6 0.073,8 17.552,9 4,10 0.093,12 0.173,14 3,15 83.009,16 83.009,17 81.232,18 67.69,19 67.69,21 1.021,22 9.589,23 81.232,24 0.525,26 1.709,27 0.688,28 0.45,29 11.699,30 1.592,31 0.073,32 1.557,33 1.557,34 8.593,35 12.853,38 8.208,39 2.708,40 0.643,45 1,46 1,49 5.424,50 0.664,53 1.015,54 2.144,55 -0.4,56 29.348,59 1,60 3.224,63 0.268,64 3.45,65 1.238,66 6.301}
{0 CHEMBL542633,1 82.58,2 82.58,5 3,6 0.044,8 15.109,9 4,10 0.106,12 0.109,14 3,15 82.58,16 82.58,17 82.58,18 61.9,19 90.14,21 0.993,22 10.063,23 64.569,24 0.597,25 17.836,26 3.674,27 0.776,28 0.502,29 21.994,30 3.228,31 0.118,32 1.552,33 1.552,34 8.621,35 24.42,38 7.719,39 2.219,40 0.571,41 0.522,42 9.282,45 1,46 1,49 19.097,50 0.006,51 1,53 0.949,54 2.485,56 64.507,57 0.073,59 1,60 3.834,63 0.146,64 4.614,65 1.019,66 4.431}
{0 CHEMBL543616,1 68.122,2 68.122,5 4,6 0.056,8 19.664,9 4,10 0.129,11 2,12 0.194,14 3,15 68.122,16 68.122,17 66.346,18 56.2,19 56.2,21 0.993,22 14.218,23 66.346,24 0.606,25 8.388,26 3.36,27 0.781,28 0.467,29 17.562,30 3.107,31 0.151,32 1.42,33 1.42,34 6.878,35 16.966,38 7.681,39 2.181,40 0.546,41 0.129,42 12.279,45 1,46 1,49 12.526,50 -0.101,53 1.247,54 2.658,56 38.173,57 0.061,59 1,60 3.451,63 0.222,64 3.988,65 1.217,66 4.602}
{0 CHEMBL544052,1 67.693,2 67.693,5 3,6 0.043,8 25.846,9 5,10 0.168,11 1,12 0.184,14 3,15 67.693,16 67.693,17 67.693,18 47.91,19 76.15,21 0.992,22 14.786,23 70.821,24 0.613,25 20.75,26 4.165,27 0.832,28 0.51,29 30.123,30 3.877,31 0.246,32 1.544,33 1.544,34 8.044,35 36.234,38 7.598,39 2.098,40 0.57,41 0.657,42 19.74,45 1,46 0.75,49 35.269,50 -0.095,53 1.066,54 2.757,56 102.412,57 0.121,59 1,60 4.38,63 0.102,64 4.617,65 0.972,66 5.143}
{0 CHEMBL551721,1 19.91,2 19.91,5 2,6 0.001,8 33.542,9 5,10 0.448,12 0.169,14 4,15 56.055,16 56.055,17 56.055,18 43.59,19 43.59,20 12.872,21 1,22 18.378,23 92.079,24 0.586,25 29.958,26 4.276,27 0.962,28 0.489,29 66.199,30 4.125,31 0.23,32 1.527,33 1.527,34 5.515,35 35.282,38 7.683,39 2.183,40 0.59,41 1.151,42 30.68,45 1,46 0.75,47 0.521,48 1,49 45.969,50 0.143,52 36.145,53 2.231,54 7.964,56 115.759,57 0.265,58 1,59 4,60 4.388,62 2,63 0.257,64 4.788,65 0.889,66 4.921}
{0 CHEMBL552629,1 67.693,2 67.693,5 3,6 0.098,8 41.801,9 5,10 0.368,11 2,12 0.251,14 4,15 110.377,16 110.377,17 110.377,18 68.14,19 96.38,21 0.981,22 25.208,23 74.355,24 0.653,25 59.89,26 4.294,27 0.714,28 0.496,29 68.018,30 4.254,31 0.513,32 1.371,33 1.371,34 16.532,35 78.458,38 7.549,39 2.049,40 0.517,41 0.657,42 57.026,45 1,46 0.75,49 81.413,50 -0.029,52 42.683,53 1.066,54 2.757,56 136.41,57 0.448,59 1,60 4.614,62 1,63 0.077,64 4.633,65 0.915,66 5.31}
{0 CHEMBL553081,1 82.58,2 82.58,5 3,6 0.044,8 15.116,9 4,10 0.1,12 0.109,14 3,15 82.58,16 82.58,17 82.58,18 61.9,19 90.14,21 0.993,22 10.166,23 64.569,24 0.597,25 13.34,26 3.611,27 0.776,28 0.502,29 20.405,30 3.23,31 0.152,32 1.552,33 1.552,34 8.621,35 24.623,38 7.719,39 2.219,40 0.571,41 0.522,42 20.769,45 1,46 1,49 19.208,50 -0.032,53 0.949,54 2.485,56 64.507,57 0.079,59 1,60 3.875,63 0.146,64 4.615,65 1.019,66 4.616}
{0 CHEMBL554323,1 68.122,2 68.122,5 4,6 0.048,8 19.281,9 4,10 0.125,11 1,12 0.184,14 3,15 68.122,16 68.122,17 66.346,18 56.2,19 56.2,21 0.997,22 13.663,23 66.346,24 0.597,25 4.401,26 3.229,27 0.8,28 0.464,29 16.579,30 2.846,31 0.112,32 1.451,33 1.451,34 6.65,35 14.792,38 7.742,39 2.242,40 0.561,41 0.129,42 9.113,45 1,46 1,49 10.055,50 -0.2,53 1.247,54 2.658,56 38.173,57 0.023,59 1,60 3.449,63 0.242,64 3.86,65 1.166,66 5.046}
{0 CHEMBL554676,1 83.009,2 83.009,5 4,6 0.065,8 21.174,9 4,10 0.117,12 0.182,14 3,15 83.009,16 83.009,17 81.232,18 67.69,19 67.69,21 1.01,22 12.805,23 81.232,24 0.57,26 2.796,27 0.558,28 0.456,29 14.231,30 1.674,31 0.058,32 1.522,33 1.522,34 8.415,35 10.868,38 8.093,39 2.593,40 0.606,42 6.398,45 1,46 1,49 7.431,50 -0.76,53 1.015,54 2.144,56 29.125,59 1,60 3.436,63 0.238,64 3.735,65 1.135,66 4}
{0 CHEMBL559220,1 67.693,2 67.693,5 3,6 0.09,8 38.713,9 5,10 0.354,12 0.213,14 4,15 110.377,16 110.377,17 110.377,18 68.14,19 96.38,21 0.983,22 24.373,23 74.355,24 0.649,25 50.389,26 4.294,27 0.712,28 0.496,29 66.442,30 4.237,31 0.504,32 1.399,33 1.399,34 16.138,35 78.469,38 7.583,39 2.083,40 0.524,41 0.721,42 62.783,45 1,46 0.75,49 73.304,50 0.045,52 42.683,53 1.238,54 3.676,56 136.41,57 0.331,59 1,60 4.616,62 1,63 0.108,64 4.632,65 0.872,66 4.804}
{0 CHEMBL563369,1 19.91,2 19.91,5 2,6 0.034,8 25.118,9 3,10 0.354,12 0.163,14 3,15 45.055,16 45.055,17 45.055,18 34.36,19 34.36,20 13.025,21 0.987,22 14.948,23 41.93,24 0.597,25 17.861,26 4.015,27 0.777,28 0.485,29 53.835,30 3.887,31 0.204,32 1.337,33 1.337,34 6.445,35 32.796,38 7.567,39 2.067,40 0.546,41 1.077,42 39.832,45 1,46 0.75,47 0.146,48 1,49 37.688,50 0.121,52 25.145,53 1.975,54 6.254,56 105.41,57 0.077,58 1,59 4,60 4.279,62 1,63 0.223,64 4.318,65 0.852,66 4.276}
{0 CHEMBL607146,1 85.704,2 100.664,4 1,5 4,6 0.053,7 1,8 47.903,9 6,10 0.315,11 3,12 0.461,14 6,15 96.704,16 111.664,17 111.664,18 72.2,19 72.2,21 0.995,22 28.83,23 75.643,24 0.588,25 47.64,26 4.268,27 0.987,28 0.471,29 39.995,30 4.081,31 0.453,32 1.502,33 1.502,34 9.729,35 53.048,38 7.685,39 2.185,40 0.555,41 0.4,42 41.778,43 1,44 1,45 1,46 1,49 52.068,50 0.018,52 25.96,53 1.138,54 3.32,56 65.683,57 0.466,58 2,60 4.543,62 1,63 0.114,64 4.626,65 1.118,66 4.721}
{0 CHEMBL66682,1 67.693,2 67.693,5 3,6 0.094,8 40.496,9 5,10 0.349,11 1,12 0.238,14 4,15 110.377,16 110.377,17 110.377,18 68.14,19 96.38,21 0.982,22 24.674,23 74.355,24 0.651,25 58.973,26 4.294,27 0.712,28 0.496,29 66.847,30 4.246,31 0.523,32 1.385,33 1.385,34 16.286,35 78.959,38 7.566,39 2.066,40 0.52,41 0.657,42 64.081,45 1,46 0.75,49 77.331,50 -0.034,52 42.683,53 1.066,54 2.757,56 136.41,57 0.472,59 1,60 4.615,62 1,63 0.079,64 4.632,65 0.894,66 4.81}
{0 CHEMBL7890,1 106.016,2 106.016,3 0.129,4 1,5 5,6 0.246,8 82.777,9 9,10 0.8,11 3,12 0.597,14 8,15 192.907,16 192.907,17 187.36,18 148.55,19 148.55,20 30.738,21 1.04,22 77.126,23 169.472,24 0.555,25 71.837,26 4.478,27 0.573,28 0.427,29 117.815,30 4.266,31 0.656,32 1.797,33 1.797,34 24.199,35 95.046,38 8.698,39 3.198,40 0.67,41 2,42 61.126,43 1,44 5,45 1,46 1,47 0.404,48 1,49 66.989,50 -0.067,52 86.892,53 3.094,54 12.408,56 16.431,57 0.522,58 1,59 4,60 4.986,62 4,63 0.827,64 5.13,65 1.262,66 4}
{0 CHEMBL88166,1 56.578,2 56.578,4 1,5 3,6 0.196,8 75.385,9 7,10 0.677,11 3,12 0.463,14 6,15 175.153,16 175.153,17 169.483,18 121.17,19 121.17,20 32.179,21 1.022,22 80.112,23 151.472,24 0.559,25 51.507,26 4.715,27 0.441,28 0.449,29 98.01,30 4.169,31 0.581,32 1.69,33 1.69,34 19.423,35 98.703,38 8.447,39 2.947,40 0.63,41 2.374,42 92.926,44 1,45 1,46 1,47 0.159,48 1,49 61.423,50 -0.099,52 118.575,53 3.074,54 11.091,56 42.924,57 0.299,58 1,59 3,60 4.976,62 4,63 0.584,64 6.351,65 1.256,66 5.301}
{0 CHEMBL88177,1 38.567,2 38.567,4 1,5 2,6 0.181,8 72.333,9 7,10 0.564,11 3,12 0.407,14 5,15 157.142,16 157.142,17 151.472,18 109.14,19 134.44,20 32.246,21 1.022,22 79.024,23 151.472,24 0.597,25 51.451,26 4.677,27 0.393,28 0.472,29 91.705,30 3.997,31 0.46,32 1.786,33 1.786,34 19.212,35 83.852,38 8.412,39 2.912,40 0.635,41 2.612,42 82.583,44 1,45 1,46 1,47 0.159,48 1,49 62.402,50 -0.151,52 118.575,53 3.656,54 16.191,56 42.924,57 0.292,58 1,59 3,60 4.976,62 4,63 0.852,64 6.351,65 1.181,66 5.046}
{0 CHEMBL88665,1 38.567,2 38.567,4 1,5 2,6 0.212,8 82.804,9 7,10 0.872,11 3,12 0.583,14 6,15 168.142,16 168.142,17 162.472,18 118.37,19 118.37,20 32.079,21 1.029,22 85.944,23 162.472,24 0.554,25 56.125,26 4.803,27 0.603,28 0.446,29 115.754,30 4.352,31 0.672,32 1.683,33 1.683,34 22.841,35 99.36,38 8.5,39 3,40 0.65,41 2.374,42 89.681,43 1,44 1,45 1,46 1,47 0.159,48 1,49 62.625,50 -0.09,52 129.575,53 3.126,54 12.011,56 42.924,57 0.339,58 1,59 3,60 4.977,62 5,63 0.632,64 6.351,65 1.233,66 5}
{0 CHEMBL88696,1 56.578,2 56.578,4 1,5 3,6 0.167,8 49.111,9 6,10 0.494,11 3,12 0.309,14 5,15 150.008,16 150.008,17 144.338,18 104.1,19 104.1,20 21.666,21 1.01,22 55.75,23 126.327,24 0.579,25 39.361,26 4.169,27 0.634,28 0.456,29 69.75,30 3.812,31 0.429,32 1.608,33 1.608,34 16.417,35 69.138,38 8.213,39 2.713,40 0.589,41 0.4,42 68.944,44 1,45 1,46 1,49 51.223,50 -0.078,52 93.43,53 2.527,54 6.025,56 42.924,57 0.215,58 1,59 2,60 4.715,62 3,63 0.335,64 4.985,65 1.243,66 4.398}
{0 CHEMBL89454,1 56.578,2 56.578,5 3,6 0.136,8 26.631,9 5,10 0.322,11 2,12 0.175,14 4,15 107.325,16 107.325,17 101.655,18 83.87,19 83.87,20 21.535,21 1.004,22 43.508,23 83.644,24 0.588,25 32.405,26 3.813,27 0.519,28 0.46,29 44.686,30 3.717,31 0.322,32 1.581,33 1.581,34 10.433,35 50.425,38 8.094,39 2.594,40 0.577,41 0.4,42 56.135,44 1,45 1,46 1,49 35.82,50 -0.097,52 50.747,53 2.527,54 6.025,56 42.924,57 0.19,59 2,60 4.17,62 2,63 0.377,64 4.715,65 1.209,66 4.699}
{0 CHEMBL91256,1 156.924,2 156.924,3 0.129,4 1,5 7,6 0.243,8 91.166,9 10,10 0.747,11 5,12 0.615,14 9,15 232.815,16 232.815,17 227.268,18 177.37,19 177.37,20 31.63,21 1.018,22 74.617,23 191.369,24 0.569,25 96.144,26 4.981,27 0.439,28 0.44,29 118.656,30 4.267,31 0.645,32 1.667,33 1.667,34 24.722,35 100.169,37 1,38 8.408,39 2.908,40 0.605,41 1.953,42 87.213,43 1,44 3,45 1,46 0.75,47 0.263,48 1,49 112.672,50 -0.107,52 75.892,53 2.894,54 11.091,56 5.548,57 0.618,58 1,59 4,60 5.008,62 3,63 0.584,64 5.13,65 1.526,66 4.155}
{0 CHEMBL94723,1 124.026,2 124.026,3 0.323,4 2,5 6,6 0.286,8 121.927,9 11,10 0.977,11 5,12 0.812,14 10,15 267.747,16 267.747,17 262.199,18 188.65,19 188.65,20 43.669,21 1.027,22 96.974,23 226.3,24 0.538,25 108.603,26 5.13,27 0.381,28 0.445,29 159.349,30 4.989,31 0.98,32 1.755,33 1.755,34 32.622,35 180.772,36 1,37 1,38 8.474,39 2.974,40 0.647,41 2,42 157.695,43 2,44 4,46 0.5,47 1.2,48 2,49 115.249,50 -0.114,51 1,52 143.72,53 3.302,54 16.089,55 0.064,56 52.929,57 0.745,58 2,59 5,60 6.351,61 0.129,62 5,63 0.619,64 6.999,65 1.326,66 4.046}
{0 CHEMBL96680,1 82.58,2 82.58,5 3,6 0.041,8 24.618,9 4,10 0.132,12 0.213,14 4,15 92.087,16 92.087,17 92.087,18 75.04,19 75.04,21 1.002,22 12.956,23 74.077,24 0.546,25 21.4,26 3.621,27 0.995,28 0.471,29 23.404,30 3.611,31 0.16,32 1.552,33 1.552,34 9.79,35 26.763,38 7.823,39 2.323,40 0.589,41 0.522,42 23.562,44 1,45 1,46 1,49 19.285,50 -0.065,52 9.507,53 0.949,54 2.485,56 68.597,57 0.169,59 1,60 3.876,62 1,63 0.146,64 4.679,65 1.143,66 6.456}
{0 CHEMBL98086,1 174.934,2 174.934,3 0.617,4 1,5 8,6 0.293,8 123.087,9 12,10 0.921,11 3,12 0.837,13 1,14 11,15 275.971,16 275.971,17 270.424,18 211.67,19 211.67,20 43.066,21 1.03,22 89.999,23 249.411,24 0.55,25 127.16,26 5.01,27 0.495,28 0.433,29 148.063,30 4.979,31 1,32 1.747,33 1.747,34 36.624,35 191.38,36 2,37 2,38 8.629,39 3.129,40 0.642,41 2,42 155.496,43 3,44 5,46 0.5,47 1.2,48 2,49 159.642,50 -0.016,51 6,52 101.037,53 3.218,54 15.907,55 0.086,56 8.672,57 0.821,58 1,59 5,60 5.13,61 0.129,62 4,63 0.757,64 6.999,65 1.403,66 4.256}