@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2001

@attribute molecule_id {CHEMBL1097279,CHEMBL1162157,CHEMBL1162158,CHEMBL1162159,CHEMBL1162160,CHEMBL1162161,CHEMBL1162162,CHEMBL1162163,CHEMBL1162164,CHEMBL1162165,CHEMBL1162166,CHEMBL1162167,CHEMBL1162168,CHEMBL1162169,CHEMBL1162170,CHEMBL1162171,CHEMBL1162172,CHEMBL1162173,CHEMBL1162174,CHEMBL1162175,CHEMBL1162176,CHEMBL1162178,CHEMBL1162179,CHEMBL1162181,CHEMBL1162182,CHEMBL1162184,CHEMBL1162185,CHEMBL1162187,CHEMBL1162188,CHEMBL1162189,CHEMBL1162190,CHEMBL1162194,CHEMBL1162195,CHEMBL1162196,CHEMBL1162197,CHEMBL1162200,CHEMBL1162205,CHEMBL1172006,CHEMBL122192,CHEMBL131271,CHEMBL133576,CHEMBL1440,CHEMBL1671995,CHEMBL1672104,CHEMBL1782078,CHEMBL1782534,CHEMBL1782535,CHEMBL1782536,CHEMBL1782537,CHEMBL1782538,CHEMBL1782539,CHEMBL1782540,CHEMBL1782541,CHEMBL1782542,CHEMBL1784178,CHEMBL1784179,CHEMBL1784180,CHEMBL1784181,CHEMBL1784182,CHEMBL1784183,CHEMBL1784184,CHEMBL1784185,CHEMBL1784186,CHEMBL1784187,CHEMBL1784188,CHEMBL1784189,CHEMBL1784190,CHEMBL1784191,CHEMBL1784192,CHEMBL1784193,CHEMBL1784194,CHEMBL1784195,CHEMBL1784196,CHEMBL1784197,CHEMBL1784198,CHEMBL1784199,CHEMBL1784200,CHEMBL1784201,CHEMBL1784202,CHEMBL1784203,CHEMBL1784204,CHEMBL1784205,CHEMBL1784206,CHEMBL1784207,CHEMBL1784208,CHEMBL1784209,CHEMBL1784210,CHEMBL1784211,CHEMBL1784212,CHEMBL1784213,CHEMBL1784214,CHEMBL1784215,CHEMBL1784216,CHEMBL1784217,CHEMBL1784218,CHEMBL1784219,CHEMBL1784220,CHEMBL1784221,CHEMBL1784222,CHEMBL1784223,CHEMBL1784224,CHEMBL1784225,CHEMBL1784226,CHEMBL1784227,CHEMBL1784228,CHEMBL1784229,CHEMBL1784230,CHEMBL1784231,CHEMBL1784232,CHEMBL1784233,CHEMBL1784234,CHEMBL1784235,CHEMBL1784236,CHEMBL1784237,CHEMBL1784238,CHEMBL1784240,CHEMBL1784241,CHEMBL2021586,CHEMBL2021587,CHEMBL2103828,CHEMBL2172127,CHEMBL2172128,CHEMBL2172129,CHEMBL2172130,CHEMBL2172131,CHEMBL2172132,CHEMBL2172133,CHEMBL2172134,CHEMBL2172135,CHEMBL2172136,CHEMBL2172137,CHEMBL2172138,CHEMBL2172139,CHEMBL2172140,CHEMBL2172141,CHEMBL2172142,CHEMBL2172143,CHEMBL2172144,CHEMBL2172145,CHEMBL2172146,CHEMBL2172147,CHEMBL2172148,CHEMBL2172149,CHEMBL2172150,CHEMBL2172151,CHEMBL2172152,CHEMBL2172153,CHEMBL2172154,CHEMBL2172155,CHEMBL2172156,CHEMBL2172157,CHEMBL2172158,CHEMBL2172159,CHEMBL2172160,CHEMBL2172161,CHEMBL2172162,CHEMBL2172163,CHEMBL2172164,CHEMBL2172165,CHEMBL2172166,CHEMBL2172264,CHEMBL2172265,CHEMBL2172266,CHEMBL2172267,CHEMBL2172268,CHEMBL2172269,CHEMBL2172270,CHEMBL2172271,CHEMBL2172272,CHEMBL2172273,CHEMBL2172274,CHEMBL2172275,CHEMBL2172276,CHEMBL2172277,CHEMBL2172278,CHEMBL2172279,CHEMBL2172280,CHEMBL2172281,CHEMBL2172282,CHEMBL2172283,CHEMBL2172284,CHEMBL223344,CHEMBL2333767,CHEMBL2333770,CHEMBL2333771,CHEMBL2333772,CHEMBL2333773,CHEMBL2333774,CHEMBL249584,CHEMBL249789,CHEMBL249790,CHEMBL250687,CHEMBL250847,CHEMBL250848,CHEMBL251041,CHEMBL255349,CHEMBL255350,CHEMBL255553,CHEMBL256057,CHEMBL256251,CHEMBL257651,CHEMBL260602,CHEMBL261244,CHEMBL265707,CHEMBL266922,CHEMBL267283,CHEMBL269934,CHEMBL271643,CHEMBL271672,CHEMBL271673,CHEMBL271688,CHEMBL272113,CHEMBL272975,CHEMBL274713,CHEMBL289277,CHEMBL291376,CHEMBL292047,CHEMBL292978,CHEMBL294535,CHEMBL294588,CHEMBL298873,CHEMBL299307,CHEMBL299895,CHEMBL299983,CHEMBL300240,CHEMBL300750,CHEMBL301805,CHEMBL301991,CHEMBL302875,CHEMBL303366,CHEMBL313282,CHEMBL313463,CHEMBL313609,CHEMBL314093,CHEMBL314763,CHEMBL327374,CHEMBL327580,CHEMBL328149,CHEMBL328755,CHEMBL330280,CHEMBL330677,CHEMBL334966,CHEMBL336292,CHEMBL369928,CHEMBL398295,CHEMBL398434,CHEMBL398435,CHEMBL401158,CHEMBL401780,CHEMBL401859,CHEMBL402401,CHEMBL402592,CHEMBL40275,CHEMBL402800,CHEMBL403010,CHEMBL403011,CHEMBL403928,CHEMBL404659,CHEMBL412171,CHEMBL418660,CHEMBL420618,CHEMBL420980,CHEMBL423864,CHEMBL424596,CHEMBL42624,CHEMBL427723,CHEMBL431799,CHEMBL443640,CHEMBL445413,CHEMBL446904,CHEMBL450832,CHEMBL455536,CHEMBL456066,CHEMBL495605,CHEMBL495796,CHEMBL495834,CHEMBL496012,CHEMBL496022,CHEMBL496030,CHEMBL496229,CHEMBL496401,CHEMBL496620,CHEMBL496820,CHEMBL496999,CHEMBL497000,CHEMBL497001,CHEMBL498038,CHEMBL498223,CHEMBL498224,CHEMBL498225,CHEMBL498229,CHEMBL498423,CHEMBL499428,CHEMBL499580,CHEMBL50192,CHEMBL502519,CHEMBL50724,CHEMBL50806,CHEMBL509456,CHEMBL509572,CHEMBL521709,CHEMBL522053,CHEMBL522725,CHEMBL524064,CHEMBL524284,CHEMBL53463,CHEMBL53491,CHEMBL535189,CHEMBL53599,CHEMBL538171,CHEMBL538415,CHEMBL538644,CHEMBL538645,CHEMBL539661,CHEMBL539732,CHEMBL539733,CHEMBL539734,CHEMBL539983,CHEMBL540200,CHEMBL540672,CHEMBL540736,CHEMBL540737,CHEMBL541742,CHEMBL541745,CHEMBL54256,CHEMBL549307,CHEMBL549308,CHEMBL549594,CHEMBL549724,CHEMBL549727,CHEMBL549797,CHEMBL550206,CHEMBL550278,CHEMBL550415,CHEMBL551020,CHEMBL551217,CHEMBL551484,CHEMBL551619,CHEMBL551620,CHEMBL551750,CHEMBL552022,CHEMBL552921,CHEMBL552971,CHEMBL552972,CHEMBL552973,CHEMBL553572,CHEMBL553654,CHEMBL553856,CHEMBL554782,CHEMBL555342,CHEMBL556142,CHEMBL556239,CHEMBL556330,CHEMBL556446,CHEMBL556493,CHEMBL556522,CHEMBL556723,CHEMBL557062,CHEMBL557535,CHEMBL557553,CHEMBL559126,CHEMBL559259,CHEMBL559340,CHEMBL559689,CHEMBL560009,CHEMBL560084,CHEMBL560748,CHEMBL560809,CHEMBL560882,CHEMBL561007,CHEMBL561406,CHEMBL561484,CHEMBL561692,CHEMBL561810,CHEMBL562344,CHEMBL562405,CHEMBL562406,CHEMBL562485,CHEMBL562546,CHEMBL562982,CHEMBL563041,CHEMBL563183,CHEMBL563429,CHEMBL564150,CHEMBL564552,CHEMBL564981,CHEMBL565249,CHEMBL565300,CHEMBL565363,CHEMBL565409,CHEMBL565470,CHEMBL565542,CHEMBL565573,CHEMBL565618,CHEMBL565836,CHEMBL565840,CHEMBL565974,CHEMBL566037,CHEMBL566176,CHEMBL566309,CHEMBL566437,CHEMBL566438,CHEMBL566447,CHEMBL566520,CHEMBL566599,CHEMBL566613,CHEMBL566661,CHEMBL566720,CHEMBL566745,CHEMBL566753,CHEMBL566874,CHEMBL566913,CHEMBL567050,CHEMBL567064,CHEMBL567133,CHEMBL567189,CHEMBL567271,CHEMBL567280,CHEMBL567416,CHEMBL567468,CHEMBL567502,CHEMBL567561,CHEMBL567695,CHEMBL567702,CHEMBL567709,CHEMBL567715,CHEMBL567740,CHEMBL567772,CHEMBL567840,CHEMBL567883,CHEMBL567913,CHEMBL567915,CHEMBL568059,CHEMBL568126,CHEMBL568127,CHEMBL568128,CHEMBL568148,CHEMBL568211,CHEMBL568250,CHEMBL568257,CHEMBL568334,CHEMBL568384,CHEMBL568498,CHEMBL568566,CHEMBL568567,CHEMBL568772,CHEMBL568774,CHEMBL568824,CHEMBL569053,CHEMBL569097,CHEMBL569127,CHEMBL569319,CHEMBL569617,CHEMBL569629,CHEMBL569679,CHEMBL569680,CHEMBL569681,CHEMBL569722,CHEMBL569732,CHEMBL569742,CHEMBL569764,CHEMBL569771,CHEMBL569781,CHEMBL569815,CHEMBL569884,CHEMBL569889,CHEMBL569908,CHEMBL569909,CHEMBL569910,CHEMBL569911,CHEMBL569912,CHEMBL569913,CHEMBL569914,CHEMBL569915,CHEMBL569988,CHEMBL569995,CHEMBL570020,CHEMBL570028,CHEMBL570045,CHEMBL570053,CHEMBL570060,CHEMBL570064,CHEMBL570093,CHEMBL570108,CHEMBL570128,CHEMBL570149,CHEMBL570150,CHEMBL570151,CHEMBL570152,CHEMBL570153,CHEMBL570154,CHEMBL570155,CHEMBL570156,CHEMBL570238,CHEMBL570242,CHEMBL570256,CHEMBL570263,CHEMBL570271,CHEMBL570275,CHEMBL570285,CHEMBL570289,CHEMBL570295,CHEMBL570384,CHEMBL570385,CHEMBL570386,CHEMBL570387,CHEMBL570388,CHEMBL570423,CHEMBL571583,CHEMBL571584,CHEMBL571599,CHEMBL571812,CHEMBL571929,CHEMBL576331,CHEMBL577236,CHEMBL577433,CHEMBL577454,CHEMBL577508,CHEMBL577630,CHEMBL577653,CHEMBL577844,CHEMBL577854,CHEMBL578076,CHEMBL578080,CHEMBL578094,CHEMBL578102,CHEMBL578271,CHEMBL578324,CHEMBL578335,CHEMBL578482,CHEMBL578507,CHEMBL578522,CHEMBL578714,CHEMBL578899,CHEMBL579081,CHEMBL579094,CHEMBL579289,CHEMBL579330,CHEMBL579334,CHEMBL58,CHEMBL585298,CHEMBL585306,CHEMBL585317,CHEMBL585693,CHEMBL585852,CHEMBL585948,CHEMBL585950,CHEMBL586227,CHEMBL588492,CHEMBL589198,CHEMBL589216,CHEMBL589281,CHEMBL589282,CHEMBL589283,CHEMBL589290,CHEMBL589298,CHEMBL589335,CHEMBL589518,CHEMBL589519,CHEMBL589520,CHEMBL589528,CHEMBL589550,CHEMBL589554,CHEMBL589584,CHEMBL589597,CHEMBL589616,CHEMBL589697,CHEMBL589719,CHEMBL589737,CHEMBL589804,CHEMBL589817,CHEMBL589824,CHEMBL589828,CHEMBL589889,CHEMBL589897,CHEMBL589901,CHEMBL589927,CHEMBL589930,CHEMBL589961,CHEMBL589971,CHEMBL590001,CHEMBL590002,CHEMBL590003,CHEMBL590004,CHEMBL590005,CHEMBL590006,CHEMBL590007,CHEMBL590008,CHEMBL590009,CHEMBL590039,CHEMBL590069,CHEMBL590087,CHEMBL590114,CHEMBL590140,CHEMBL590146,CHEMBL590194,CHEMBL590208,CHEMBL590254,CHEMBL590255,CHEMBL590256,CHEMBL590257,CHEMBL590258,CHEMBL590259,CHEMBL590260,CHEMBL590261,CHEMBL590262,CHEMBL590328,CHEMBL590364,CHEMBL590418,CHEMBL590602,CHEMBL590673,CHEMBL590741,CHEMBL590742,CHEMBL590743,CHEMBL590744,CHEMBL590745,CHEMBL590746,CHEMBL590747,CHEMBL590748,CHEMBL590749,CHEMBL590771,CHEMBL590798,CHEMBL590856,CHEMBL590874,CHEMBL590939,CHEMBL590950,CHEMBL590989,CHEMBL590990,CHEMBL591048,CHEMBL591185,CHEMBL591212,CHEMBL591226,CHEMBL591227,CHEMBL591367,CHEMBL591427,CHEMBL591510,CHEMBL591536,CHEMBL591593,CHEMBL591619,CHEMBL591691,CHEMBL591712,CHEMBL591839,CHEMBL591874,CHEMBL591945,CHEMBL591991,CHEMBL592021,CHEMBL592163,CHEMBL592164,CHEMBL592165,CHEMBL592166,CHEMBL592195,CHEMBL592407,CHEMBL592408,CHEMBL592409,CHEMBL592410,CHEMBL592441,CHEMBL592531,CHEMBL592535,CHEMBL592563,CHEMBL592570,CHEMBL592577,CHEMBL592581,CHEMBL592650,CHEMBL592671,CHEMBL592678,CHEMBL592737,CHEMBL592802,CHEMBL592806,CHEMBL592810,CHEMBL592825,CHEMBL592850,CHEMBL592880,CHEMBL592881,CHEMBL592882,CHEMBL592883,CHEMBL592884,CHEMBL592885,CHEMBL592886,CHEMBL592887,CHEMBL592888,CHEMBL596732,CHEMBL596733,CHEMBL596737,CHEMBL596750,CHEMBL596769,CHEMBL596939,CHEMBL596961,CHEMBL596962,CHEMBL596963,CHEMBL597150,CHEMBL597157,CHEMBL597158,CHEMBL597351,CHEMBL597380,CHEMBL597563,CHEMBL597765,CHEMBL597766,CHEMBL597772,CHEMBL597976,CHEMBL597980,CHEMBL598160,CHEMBL598161,CHEMBL598167,CHEMBL598177,CHEMBL59822,CHEMBL598374,CHEMBL598375,CHEMBL598376,CHEMBL598380,CHEMBL598381,CHEMBL598386,CHEMBL598387,CHEMBL598388,CHEMBL598588,CHEMBL598594,CHEMBL598612,CHEMBL598816,CHEMBL598821,CHEMBL598998,CHEMBL598999,CHEMBL599005,CHEMBL599006,CHEMBL599007,CHEMBL599020,CHEMBL59911,CHEMBL599197,CHEMBL599202,CHEMBL599214,CHEMBL59922,CHEMBL599397,CHEMBL599399,CHEMBL599400,CHEMBL59941,CHEMBL599422,CHEMBL599604,CHEMBL599605,CHEMBL599606,CHEMBL599634,CHEMBL599637,CHEMBL599816,CHEMBL599825,CHEMBL599843,CHEMBL599991,CHEMBL600055,CHEMBL600056,CHEMBL600057,CHEMBL600191,CHEMBL600369,CHEMBL600370,CHEMBL600371,CHEMBL600573,CHEMBL600574,CHEMBL600575,CHEMBL600576,CHEMBL600577,CHEMBL60083,CHEMBL601270,CHEMBL601271,CHEMBL601272,CHEMBL601273,CHEMBL601274,CHEMBL601275,CHEMBL601276,CHEMBL601447,CHEMBL601478,CHEMBL601483,CHEMBL601484,CHEMBL601485,CHEMBL601486,CHEMBL601487,CHEMBL601488,CHEMBL601489,CHEMBL601692,CHEMBL601693,CHEMBL601694,CHEMBL601695,CHEMBL601696,CHEMBL601697,CHEMBL601698,CHEMBL601699,CHEMBL601704,CHEMBL601903,CHEMBL601904,CHEMBL601905,CHEMBL601906,CHEMBL601907,CHEMBL601908,CHEMBL601909,CHEMBL601910,CHEMBL602108,CHEMBL602109,CHEMBL602110,CHEMBL602111,CHEMBL602112,CHEMBL602294,CHEMBL60240,CHEMBL603144,CHEMBL603145,CHEMBL603146,CHEMBL603147,CHEMBL603148,CHEMBL603149,CHEMBL603150,CHEMBL603151,CHEMBL603152,CHEMBL603333,CHEMBL60353,CHEMBL60362,CHEMBL603866,CHEMBL60420,CHEMBL60422,CHEMBL604288,CHEMBL60443,CHEMBL604497,CHEMBL604707,CHEMBL60481,CHEMBL605563,CHEMBL605565,CHEMBL605773,CHEMBL605847,CHEMBL605964,CHEMBL605968,CHEMBL606209,CHEMBL606408,CHEMBL61062,CHEMBL61623,CHEMBL62064,CHEMBL62094,CHEMBL62470,CHEMBL62500,CHEMBL62928,CHEMBL62939,CHEMBL63016,CHEMBL64144,CHEMBL64149,CHEMBL64153,CHEMBL64162,CHEMBL64383,CHEMBL64555,CHEMBL64734,CHEMBL64863,CHEMBL65466,CHEMBL66027,CHEMBL66594,CHEMBL66647,CHEMBL69139,CHEMBL760,CHEMBL88108,CHEMBL88136,CHEMBL88218,CHEMBL88224,CHEMBL88245,CHEMBL88265,CHEMBL88377,CHEMBL88395,CHEMBL88444,CHEMBL88525,CHEMBL88583,CHEMBL88697,CHEMBL88698,CHEMBL88707,CHEMBL88708,CHEMBL88730,CHEMBL88764,CHEMBL88799,CHEMBL88835,CHEMBL88877,CHEMBL88955,CHEMBL89660,CHEMBL89679,CHEMBL89876,CHEMBL90102,CHEMBL90120,CHEMBL90168,CHEMBL90195,CHEMBL90237,CHEMBL90414,CHEMBL90566,CHEMBL90601,CHEMBL90677,CHEMBL90804,CHEMBL90881,CHEMBL90958,CHEMBL91044,CHEMBL91127,CHEMBL91204,CHEMBL91259,CHEMBL91295,CHEMBL91340,CHEMBL91356,CHEMBL91359,CHEMBL91368,CHEMBL91422,CHEMBL91478,CHEMBL91527,CHEMBL91570,CHEMBL91579,CHEMBL91634,CHEMBL91837,CHEMBL91843,CHEMBL91899,CHEMBL92158,CHEMBL92264,CHEMBL92269,CHEMBL92363,CHEMBL93688}
@attribute nCs numeric
@attribute Eta_L_A numeric
@attribute Eta_C_A numeric
@attribute C.002 numeric
@attribute ATSC1v numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_LogP_7 numeric
@attribute CIC0 numeric
@attribute Eta_FL_A numeric
@attribute SpMax5_Bh.p. numeric
@attribute VvdwZAZ numeric
@attribute TIE numeric
@attribute NssCH2 numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax7_Bh.p. numeric
@attribute Uindex numeric
@attribute SpMin2_Bh.s. numeric
@attribute DBI numeric
@attribute CATS2D_08_AL numeric
@attribute nROCON numeric
@attribute Mp numeric
@attribute C.024 numeric
@attribute CATS2D_06_AL numeric
@attribute SpMin3_Bh.m. numeric
@attribute MAXDP numeric
@attribute SpMax5_Bh.m. numeric
@attribute nC numeric
@attribute SIC0 numeric
@attribute IDDE numeric
@attribute SssCH2 numeric
@attribute CIC1 numeric
@attribute SpMax5_Bh.e. numeric
@attribute GATS2i numeric
@attribute P_VSA_MR_1 numeric
@attribute ATSC6i numeric
@attribute X2v numeric
@attribute ATS5v numeric
@attribute Chi1_EA.ri. numeric
@attribute ATS3v numeric
@attribute SNar numeric
@attribute ATS4v numeric
@attribute ATS5p numeric
@attribute P_VSA_LogP_3 numeric
@attribute Mv numeric
@attribute ATS4p numeric
@attribute DLS_03 numeric
@attribute Eig04_AEA.dm. numeric
@attribute X3 numeric
@attribute H. numeric
@attribute SpMAD_EA.bo. numeric
@attribute Xt numeric
@attribute Eig08_EA.dm. numeric
@attribute SIC1 numeric
@attribute GATS1v numeric
@attribute C.008 numeric
@attribute ATS5s numeric
@attribute H.046 numeric
@attribute BIC0 numeric
@attribute Eig06_EA.dm. numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_05_LL numeric
@attribute SpMin5_Bh.m. numeric
@attribute Eig07_EA numeric
@attribute SM15_AEA.bo. numeric
@attribute C.040 numeric
@attribute cRo5 numeric
@attribute DLS_01 numeric
@attribute DLS_06 numeric
@attribute C.029 numeric
@attribute BIC1 numeric
@attribute IC2 numeric
@attribute ATS2m numeric
@attribute LLS_02 numeric
@attribute SpMin6_Bh.e. numeric
@attribute nArCONHR numeric
@attribute AMW numeric
@attribute PDI numeric
@attribute Eig10_EA.dm. numeric
@attribute Psi_e_1 numeric
@attribute DLS_02 numeric
@attribute SpMax4_Bh.e. numeric
@attribute piPC01 numeric
@attribute SCBO numeric
@attribute Eig06_EA numeric
@attribute SM14_AEA.bo. numeric
@attribute X2sol numeric
@attribute NaaCH numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig09_EA numeric
@attribute SM03_AEA.dm. numeric
@attribute SpMin6_Bh.v. numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_m_3 numeric
@attribute H.047 numeric
@attribute ATS4s numeric
@attribute SpAD_EA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute DLS_07 numeric
@attribute C.028 numeric
@attribute SAacc numeric
@attribute ICR numeric
@attribute P_VSA_e_3 numeric
@attribute MLOGP2 numeric
@attribute Eig09_AEA.ed. numeric
@attribute Chi0_EA.dm. numeric
@attribute Eig06_AEA.ri. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SRW06 numeric
@attribute SpMin5_Bh.v. numeric
@attribute Eig06_EA.ed. numeric
@attribute SM15_AEA.dm. numeric
@attribute ZM1Mad numeric
@attribute Eig03_EA.ri. numeric
@attribute nRCONR2 numeric
@attribute P_VSA_v_2 numeric
@attribute SpMin6_Bh.p. numeric
@attribute RBN numeric
@attribute SaaN numeric
@attribute CATS2D_09_AL numeric
@attribute S2K numeric
@attribute PHI numeric
@attribute DLS_05 numeric
@attribute SpMin6_Bh.i. numeric
@attribute P_VSA_i_4 numeric
@attribute BLTF96 numeric
@attribute Eig09_EA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute GATS2p numeric
@attribute SpMin1_Bh.s. numeric
@attribute Hypertens.80 numeric
@attribute Eig10_AEA.dm. numeric
@attribute pXC50 numeric

@data
{1 4,2 0.292,3 1.34,4 1,5 5.578,6 211.88,7 219.639,8 211.88,9 230.939,10 256.76,11 229.235,12 3.677,13 0.165,14 3.507,15 538.84,16 218.384,17 5,18 0.98,19 3.415,20 3.439,21 101.899,22 1.117,23 6.671,24 3,26 0.696,28 3,29 1.755,30 5.26,31 3.836,32 17,33 0.398,34 5.061,35 -1.577,36 1.739,37 3.59,38 0.941,39 211.88,40 1.976,41 18.879,42 4.334,43 25.328,44 4.357,45 27.216,46 4.336,47 4.378,48 243.1,49 0.667,50 4.409,51 0.33,52 4.091,53 15.55,54 36.2,55 1.798,56 0.192,58 0.715,59 0.935,60 3,61 6.654,63 0.386,64 0.4,65 4,67 1.596,68 2.483,69 2.483,72 0.25,73 0.17,74 1,75 0.693,76 5.398,77 5.055,78 0.5,79 1.462,81 11.252,82 0.874,84 6.755,85 0.33,86 3.663,87 4.007,88 54,89 2.738,90 2.738,91 25.884,92 1,93 1.802,94 1.957,95 1.957,96 1.668,97 41.481,98 360.329,99 14,100 7.009,101 230.174,102 2.883,104 1,105 428.696,106 3.263,107 70.266,108 2.36,109 5.293,110 26.522,111 3.735,112 1.489,113 7.517,114 1.764,115 9.539,116 9.539,117 520.121,118 3.053,120 430.595,121 1.602,122 15,123 12.634,124 2,125 14.706,126 12.889,127 1,128 1.421,129 115.147,130 -2.7,131 6.183,132 6.183,133 0.93,134 1.173,136 2.594,137 9.155}
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{0 CHEMBL2172130,1 9,2 0.277,3 1.149,4 6,5 10.931,6 470.844,7 470.844,8 470.844,9 470.844,10 470.844,11 470.844,12 4.878,13 0.208,14 3.617,15 601.69,16 151.353,17 14,18 1.081,19 3.636,20 3.285,21 81.872,22 1.289,23 5.523,24 13,25 1,26 0.626,27 6,28 8,29 1.982,30 6.467,31 3.688,32 32,33 0.25,34 5.257,35 6.312,36 2.968,37 3.764,38 1.347,39 317.82,40 2.591,41 11.9,42 4.548,43 26.171,44 4.498,45 33.808,46 4.532,47 4.578,48 56.857,49 0.601,50 4.546,51 0.5,52 3.603,53 17.042,54 48.4,55 1.737,56 0.172,57 0.588,58 0.544,59 1.112,60 3,61 6.834,62 2,63 0.243,64 0.934,65 4,66 5,67 1.856,68 2.281,69 2.281,70 4,72 0.5,73 0.33,75 0.527,76 4.993,77 4.473,78 0.5,79 1.58,80 1,81 7.174,82 0.944,83 0.148,84 7.754,85 0.5,86 3.825,87 4.135,88 61.5,89 2.581,90 2.581,91 19.938,92 6,93 1.941,94 2.044,95 2.044,96 1.799,97 138.618,98 147.724,99 25,100 6.675,101 213.839,102 3.001,104 1,105 242.679,106 3.589,107 96.731,108 0.182,109 5.161,110 40.959,111 3.562,112 1.799,113 7.476,114 1.824,115 7.551,116 7.551,117 277.779,118 2.868,119 2,120 244.456,121 1.769,122 13,123 4.456,124 9,125 16.664,126 12.403,127 1,128 1.526,129 96.731,130 -1.75,131 6.038,132 6.038,133 1.152,134 1.477,136 2.43,137 6.745}
{0 CHEMBL2172131,1 9,2 0.272,3 1.178,4 6,5 11.467,6 506.157,7 506.157,8 506.157,9 506.157,10 506.157,11 506.157,12 4.949,13 0.211,14 3.617,15 642.44,16 171.926,17 14,18 1.081,19 3.636,20 3.314,21 90.037,22 1.292,23 5.874,24 14,25 1,26 0.627,27 6,28 8,29 1.982,30 6.643,31 3.689,32 34,33 0.249,34 5.214,35 5.917,36 3.089,37 3.766,38 1.349,39 353.133,40 2.763,41 12.594,42 4.603,43 27.688,44 4.546,45 35.6,46 4.582,47 4.636,48 56.857,49 0.603,50 4.6,51 0.5,52 3.603,53 17.739,54 47.9,55 1.743,56 0.168,57 0.655,58 0.531,59 1.124,60 3,61 6.863,62 2,63 0.241,64 1.061,65 4,66 5,67 1.856,68 2.283,69 2.283,70 5,72 0.5,73 0.33,75 0.514,76 5.058,77 4.532,78 0.5,79 1.582,80 1,81 7.238,82 0.937,83 0.545,84 8.234,85 0.5,86 3.825,87 4.197,88 65.5,89 2.581,90 2.581,91 21.474,92 6,93 2.08,94 2.158,95 2.158,96 1.799,97 152.148,98 172.869,99 25,100 6.716,101 225.182,102 3.133,104 1,105 252.938,106 3.573,107 81.845,108 0.187,109 5.163,110 44.636,111 3.562,112 1.8,113 7.522,114 1.824,115 7.551,116 7.551,117 295.021,118 2.868,119 2,120 254.714,121 1.774,122 14,123 4.466,124 11,125 18.015,126 13.543,127 1,128 1.531,129 81.845,130 -1.76,131 6.048,132 6.048,133 1.146,134 1.477,136 2.513,137 7.377}
{0 CHEMBL2172132,1 9,2 0.276,3 1.144,4 6,5 10.743,6 470.844,7 470.844,8 470.844,9 470.844,10 470.844,11 470.844,12 4.855,13 0.209,14 3.617,15 599.48,16 155.062,17 14,18 1.081,19 3.636,20 3.283,21 81.872,22 1.287,23 5.523,24 13,25 1,26 0.626,27 6,28 8,29 1.978,30 6.426,31 3.688,32 32,33 0.252,34 5.257,35 5.369,36 2.914,37 3.764,38 1.352,39 317.82,40 2.542,41 11.835,42 4.541,43 26.203,44 4.492,45 33.808,46 4.527,47 4.565,48 99.541,49 0.604,50 4.535,51 0.5,52 3.603,53 17.042,54 47.8,55 1.737,56 0.172,57 0.588,58 0.551,59 1.113,60 3,61 6.854,62 2,63 0.244,64 0.934,65 4,66 5,67 1.856,68 2.281,69 2.281,70 4,72 0.5,73 0.33,75 0.533,76 5.025,77 4.475,78 0.5,79 1.579,80 1,81 7.265,82 0.928,83 0.148,84 7.793,85 0.5,86 3.825,87 4.135,88 61.5,89 2.581,90 2.581,91 19.938,92 6,93 1.938,94 2.044,95 2.044,96 1.798,97 136.512,98 190.408,99 25,100 6.684,101 213.839,102 3,104 1,105 252.465,106 3.589,107 63.834,108 0.182,109 5.161,110 40.456,111 3.562,112 1.799,113 7.476,114 1.823,115 7.551,116 7.551,117 278.525,118 2.867,119 2,120 254.242,121 1.769,122 13,123 4.424,124 9,125 16.664,126 12.403,127 1,128 1.525,129 63.834,130 -1.75,131 6.038,132 6.038,133 1.146,134 1.477,136 2.43,137 7.638}
{0 CHEMBL2172133,1 12,2 0.29,3 1.213,4 9,5 12.313,6 541.471,7 541.471,8 541.471,9 541.471,10 541.471,11 541.471,12 5.033,13 0.196,14 3.619,15 651.38,16 173.081,17 17,18 1.216,19 3.637,20 3.494,21 90.255,22 1.308,23 5.788,24 15,25 1,26 0.623,27 6,28 11,29 1.991,30 6.587,31 3.689,32 35,33 0.241,34 5.444,35 7.962,36 3.183,37 3.768,38 1.363,39 376.675,40 2.771,41 12.958,42 4.611,43 27.664,44 4.566,45 35.887,46 4.593,47 4.641,48 99.541,49 0.595,50 4.617,51 0.5,52 3.603,53 17.83,54 49.5,55 1.708,56 0.167,57 0.588,58 0.52,59 1.141,60 3,61 6.868,62 7,63 0.234,64 0.934,65 4,66 5,67 1.908,68 2.281,69 2.281,70 4,72 0.5,73 0.33,75 0.505,76 4.932,77 4.519,78 0.5,79 1.622,80 1,81 7.029,82 0.925,83 0.148,84 8.231,85 0.5,86 3.825,87 4.182,88 64.5,89 2.581,90 2.581,91 20.999,92 6,93 1.954,94 2.053,95 2.053,96 1.824,97 144.116,98 190.408,99 25,100 6.723,101 221.239,102 3.012,104 1,105 252.465,106 3.684,107 63.834,108 0.952,109 5.162,110 40.456,111 3.563,112 1.856,113 7.509,114 1.886,115 7.551,116 7.551,117 290.525,118 2.869,119 2,120 254.242,121 1.851,122 16,123 4.471,124 12,125 18.769,126 14.229,127 1,128 1.581,129 63.834,130 -2.22,131 6.044,132 6.044,133 1.179,134 1.477,136 2.43,137 8.187}
{0 CHEMBL2172134,1 11,2 0.285,3 1.199,4 8,5 11.792,6 517.928,7 517.928,8 517.928,9 517.928,10 517.928,11 517.928,12 4.976,13 0.2,14 3.618,15 634.08,16 166.082,17 16,18 1.081,19 3.636,20 3.31,21 87.267,22 1.339,23 5.701,24 16,25 1,26 0.624,27 6,28 10,29 2.004,30 6.616,31 3.689,32 34,33 0.244,34 5.329,35 7.116,36 3.096,37 3.768,38 1.36,39 341.362,40 2.759,41 12.542,42 4.6,43 27.207,44 4.543,45 35.194,46 4.577,47 4.635,48 99.541,49 0.598,50 4.601,51 0.5,52 3.603,53 17.561,54 49,55 1.719,56 0.169,57 0.588,58 0.53,59 1.132,60 3,61 6.844,62 4,63 0.237,64 0.934,65 4,66 5,67 1.856,68 2.281,69 2.281,70 4,72 0.5,73 0.33,75 0.514,76 4.95,77 4.505,78 0.5,79 1.585,80 1,81 7.103,82 0.926,83 0.148,84 8.07,85 0.5,86 3.825,87 4.167,88 63.5,89 2.581,90 2.581,91 20.645,92 6,93 1.96,94 2.054,95 2.054,96 1.799,97 141.581,98 190.408,99 25,100 6.704,101 218.907,102 3.015,104 1,105 252.465,106 3.582,107 63.834,108 0.632,109 5.162,110 40.456,111 3.562,112 1.801,113 7.498,114 1.825,115 7.551,116 7.551,117 286.525,118 2.869,119 2,120 254.242,121 1.771,122 15,123 4.483,124 12,125 18.06,126 13.612,127 1,128 1.537,129 63.834,130 -2.07,131 6.044,132 6.044,133 1.169,134 1.477,136 2.43,137 6.695}
{0 CHEMBL2172135,1 10,2 0.283,3 1.177,4 7,5 11.358,6 506.157,7 506.157,8 506.157,9 506.157,10 506.157,11 506.157,12 4.923,13 0.201,14 3.617,15 607.99,16 148.961,17 14,18 1.081,19 3.636,20 3.29,21 81.872,22 1.304,23 5.523,24 16,25 1,26 0.627,27 6,28 10,29 1.998,30 6.508,31 3.688,32 33,33 0.245,34 5.257,35 7.255,36 3.11,37 3.765,38 1.344,39 353.133,40 2.644,41 12.111,42 4.561,43 26.142,44 4.506,45 33.808,46 4.542,47 4.595,48 56.857,49 0.6,50 4.561,51 0.5,52 3.603,53 17.042,54 48.9,55 1.737,56 0.172,57 0.588,58 0.523,59 1.135,60 3,61 6.815,62 7,63 0.238,64 0.934,65 4,66 5,67 1.856,68 2.281,69 2.281,70 4,72 0.5,73 0.33,75 0.507,76 4.903,77 4.472,78 0.5,79 1.583,80 1,81 7.085,82 0.939,83 0.148,84 7.727,85 0.5,86 3.825,87 4.135,88 61.5,89 2.581,90 2.581,91 19.938,92 6,93 1.944,94 2.044,95 2.044,96 1.799,97 147.872,98 147.724,99 23,100 6.666,101 213.839,102 3.002,104 1,105 209.782,106 3.589,107 63.834,108 1.722,109 5.161,110 39.378,111 3.562,112 1.8,113 7.476,114 1.824,115 7.551,116 7.551,117 277.086,118 2.868,119 2,120 211.558,121 1.769,122 13,123 4.487,124 12,125 16.691,126 12.436,127 1,128 1.531,129 63.834,130 -2.51,131 6.038,132 6.038,133 1.145,134 1.477,136 2.43,137 6.764}
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{0 CHEMBL2172143,1 10,2 0.257,3 1.126,4 7,5 11.471,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.985,13 0.227,14 3.669,15 654.8,16 157.233,17 13,18 1.081,19 3.676,20 3.476,21 85.225,22 1.31,23 5.523,24 14,26 0.641,27 10,28 10,29 2.014,30 6.731,31 3.704,32 37,33 0.245,34 5.431,35 5.744,36 2.935,37 3.822,38 1.344,39 376.675,40 2.928,41 13.258,42 4.675,43 29.125,44 4.614,45 38.085,46 4.652,47 4.722,48 94.762,49 0.617,50 4.692,51 0.5,52 3.594,53 19.016,54 46.4,55 1.795,56 0.162,57 0.8,58 0.555,59 1.054,60 3,61 6.874,62 2,63 0.236,64 0.934,65 4,66 5,67 1.856,68 2.379,69 2.379,70 5,72 0.5,73 0.33,75 0.535,76 5.056,77 4.574,78 0.5,79 1.621,80 1,81 7.38,82 0.948,83 0.545,84 8.64,85 0.33,86 3.825,87 4.27,88 70.5,89 2.595,90 2.595,91 22.556,92 10,93 2.162,94 2.233,95 2.233,96 1.824,97 176.565,98 190.408,99 28,100 6.689,101 241.319,102 3.215,104 1,105 252.465,106 3.606,107 63.834,108 1.922,109 5.241,110 47.047,111 3.577,112 1.851,113 7.594,114 1.844,115 7.551,116 7.551,117 308.304,118 2.875,119 2,120 254.242,121 1.838,122 14,123 4.458,124 9,125 17.602,126 12.739,127 1,128 1.574,129 63.834,130 -2.57,131 6.394,132 6.394,133 1.129,134 1.477,136 2.513,137 7.523}
{0 CHEMBL2172144,1 12,2 0.264,3 1.139,4 9,5 11.494,6 482.615,7 482.615,8 482.615,9 482.615,10 482.615,11 482.615,12 4.991,13 0.22,14 3.682,15 658.46,16 174.565,17 13,18 1.081,19 3.681,20 3.536,21 85.222,22 1.419,23 5.657,24 22,26 0.647,27 11,28 10,29 2.014,30 6.687,31 3.705,32 38,33 0.242,34 5.354,35 5.249,36 2.92,37 3.825,38 1.358,39 317.82,40 2.943,41 13.574,42 4.665,43 28.74,44 4.626,45 38.085,46 4.642,47 4.699,48 104.239,49 0.623,50 4.673,51 0.5,52 3.603,53 19.085,54 45.8,55 1.816,56 0.162,57 0.588,58 0.557,59 1.02,60 3,61 6.895,62 2,63 0.233,64 1.061,65 4,66 12,67 1.894,68 2.333,69 2.333,70 5,72 0.5,73 0.33,75 0.535,76 4.904,77 4.567,78 0.5,79 1.622,80 1,81 7.426,82 0.949,83 0.148,84 8.807,85 0.33,86 3.84,87 4.284,88 71.5,89 2.597,90 2.597,91 22.612,92 11,93 2.177,94 2.187,95 2.187,96 1.824,97 176.335,98 204.553,99 22,100 6.749,101 241.762,102 3.191,104 1,105 263.486,106 3.606,107 60.71,108 4.809,109 5.212,110 41.997,111 3.58,112 1.856,113 7.594,114 1.883,115 7.551,116 7.551,117 305.114,118 2.971,119 2,120 265.263,121 1.851,122 14,123 4.438,124 14,125 17.436,126 12.539,127 1,128 1.583,129 60.71,130 -3.25,131 6.238,132 6.238,133 1.201,134 1.477,136 2.511,137 7.398}
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{0 CHEMBL2172146,1 10,2 0.257,3 1.123,4 7,5 11.475,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.997,13 0.228,14 3.679,15 678.25,16 176.962,17 14,18 1.132,19 3.68,20 3.507,21 90.488,22 1.293,23 5.831,24 17,25 1,26 0.642,27 11,28 13,29 2.014,30 6.678,31 3.707,32 38,33 0.246,34 5.422,35 4.505,36 2.948,37 3.825,38 1.315,39 376.675,40 2.869,41 13.596,42 4.644,43 30.117,44 4.624,45 39.471,46 4.632,47 4.66,48 104.239,49 0.622,50 4.648,51 0.5,52 3.603,53 19.508,54 45.5,55 1.797,56 0.159,57 0.869,58 0.555,59 1.044,60 3,61 6.914,62 2,63 0.237,64 1.061,65 4,66 5,67 1.88,68 2.494,69 2.494,70 5,72 0.5,73 0.33,75 0.534,76 4.987,77 4.609,78 0.5,79 1.622,80 1,81 7.514,82 0.945,83 0.545,84 9.038,85 0.33,86 3.866,87 4.311,88 73.5,89 2.586,90 2.586,91 23.414,92 11,93 2.211,94 2.25,95 2.25,96 1.824,97 181.698,98 215.553,99 28,100 6.77,101 246.321,102 3.244,104 1,105 277.61,106 3.734,107 63.834,108 1.797,109 5.261,110 44.673,111 3.569,112 1.856,113 7.611,114 1.885,115 7.551,116 7.551,117 319.514,118 2.871,119 2,120 279.387,121 1.851,122 15,123 4.428,124 13,125 18.738,126 13.623,127 1,128 1.582,129 63.834,130 -2.53,131 6.423,132 6.423,133 1.144,134 1.477,136 2.56,137 8.244}
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{0 CHEMBL2172148,1 11,2 0.276,3 1.175,4 8,5 11.292,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.929,13 0.207,14 3.618,15 640.23,16 180.447,17 15,18 1.129,19 3.637,20 3.425,21 90.139,22 1.293,23 5.874,24 16,25 1,26 0.627,27 6,28 9,29 1.983,30 6.559,31 3.689,32 34,33 0.25,34 5.404,35 5.553,36 2.962,37 3.768,38 1.363,39 353.133,40 2.706,41 12.671,42 4.598,43 27.633,44 4.545,45 35.6,46 4.574,47 4.615,48 56.857,49 0.606,50 4.584,51 0.5,52 3.603,53 17.766,54 47.4,55 1.74,56 0.168,57 0.655,58 0.549,59 1.11,60 3,61 6.882,62 5,63 0.242,64 1.061,65 4,66 5,67 1.876,68 2.286,69 2.286,70 5,72 0.5,73 0.33,75 0.531,76 5.114,77 4.534,78 0.5,79 1.6,80 1,81 7.325,82 0.926,83 0.545,84 8.34,85 0.5,86 3.825,87 4.197,88 65.5,89 2.581,90 2.581,91 21.474,92 6,93 2.069,94 2.139,95 2.139,96 1.824,97 142.491,98 215.553,99 23,100 6.726,101 225.018,102 3.117,104 1,105 277.61,106 3.585,107 63.834,108 0.703,109 5.167,110 42.52,111 3.563,112 1.856,113 7.522,114 1.841,115 7.551,116 7.551,117 295.514,118 2.871,119 2,120 279.387,121 1.814,122 15,123 4.413,124 11,125 18.015,126 13.543,127 1,128 1.534,129 63.834,130 -2.1,131 6.068,132 6.068,133 1.173,134 1.477,136 2.513,137 8.509}
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{0 CHEMBL2172150,1 14,2 0.281,3 1.181,4 10,5 11.458,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.946,13 0.202,14 3.676,15 645.17,16 167.958,17 16,18 1.198,19 3.678,20 3.504,21 82.667,22 1.457,23 5.745,24 16,25 1,26 0.631,27 6,28 9,29 2.014,30 6.601,31 3.703,32 35,33 0.249,34 5.359,35 7.387,36 3.024,37 3.825,38 1.385,39 329.591,40 2.784,41 13.493,42 4.617,43 28.662,44 4.563,45 37.391,46 4.589,47 4.631,48 56.857,49 0.61,50 4.597,51 0.5,52 3.603,53 18.683,54 46.9,55 1.736,56 0.164,57 0.655,58 0.541,59 1.084,60 4,61 6.895,62 4,63 0.241,64 1.061,65 4,66 5,67 1.879,68 2.473,69 2.473,70 5,72 0.5,73 0.33,75 0.523,76 4.946,77 4.562,78 0.5,79 1.622,80 1,81 7.374,82 0.941,83 0.545,84 8.666,85 0.33,86 3.837,87 4.227,88 67.5,89 2.597,90 2.597,91 22.365,92 6,93 2.207,94 2.244,95 2.244,96 1.824,97 134.143,98 215.553,99 22,100 6.73,101 236.72,102 3.238,104 1,105 277.61,106 3.59,107 63.834,108 1.039,109 5.254,110 43.599,111 3.576,112 1.856,113 7.605,114 1.883,115 7.551,116 7.551,117 308.178,118 2.871,119 2,120 279.387,121 1.851,122 14,123 4.424,124 12,125 17.236,126 12.54,127 1,128 1.582,129 63.834,130 -2.26,131 6.405,132 6.405,133 1.212,134 1.477,136 2.538,137 8.301}
{0 CHEMBL2172151,1 11,2 0.274,3 1.205,4 7,5 11.292,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.929,13 0.207,14 3.628,15 640.23,16 182.857,17 13,18 1.081,19 3.644,20 3.298,21 90.093,22 1.321,23 5.831,24 17,25 1,26 0.627,27 6,28 9,29 2.005,30 6.704,31 3.691,32 34,33 0.25,34 5.404,35 4.535,36 2.923,37 3.77,38 1.372,39 306.049,40 2.815,41 12.769,42 4.641,43 27.651,44 4.565,45 35.312,46 4.615,47 4.666,48 56.857,49 0.606,50 4.629,51 0.5,52 3.603,53 17.889,54 47.4,55 1.75,56 0.168,57 0.655,58 0.555,59 1.11,60 4,61 6.927,62 2,63 0.242,64 1.061,65 4,66 6,67 1.856,68 2.348,69 2.348,70 5,72 0.5,73 0.33,75 0.537,76 5.248,77 4.545,78 0.5,79 1.582,80 1,81 7.325,82 0.922,83 0.545,84 8.37,85 0.5,86 3.825,87 4.197,88 65.5,89 2.596,90 2.596,91 21.66,92 6,93 2.11,94 2.153,95 2.153,96 1.799,97 146.676,98 215.553,99 22,100 6.748,101 229.42,102 3.146,104 1,105 277.61,106 3.563,107 63.834,108 0.703,109 5.203,110 44.101,111 3.57,112 1.802,113 7.542,114 1.824,115 7.551,116 7.551,117 297.847,118 2.924,119 2,120 279.387,121 1.769,122 14,123 4.421,124 12,125 17.513,126 13.166,127 1,128 1.53,129 63.834,130 -2.1,131 6.174,132 6.174,133 1.163,134 1.477,136 2.513,137 8.114}
{0 CHEMBL2172152,1 11,2 0.274,3 1.205,4 7,5 11.292,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.929,13 0.207,14 3.628,15 640.23,16 182.857,17 13,18 1.081,19 3.644,20 3.298,21 90.093,22 1.321,23 5.831,24 17,25 1,26 0.627,27 6,28 9,29 2.005,30 6.704,31 3.691,32 34,33 0.25,34 5.404,35 4.535,36 2.923,37 3.77,38 1.372,39 306.049,40 2.815,41 12.769,42 4.641,43 27.651,44 4.565,45 35.312,46 4.615,47 4.666,48 56.857,49 0.606,50 4.629,51 0.5,52 3.603,53 17.889,54 47.4,55 1.75,56 0.168,57 0.655,58 0.555,59 1.11,60 4,61 6.927,62 2,63 0.242,64 1.061,65 4,66 6,67 1.856,68 2.348,69 2.348,70 5,72 0.5,73 0.33,75 0.537,76 5.248,77 4.545,78 0.5,79 1.582,80 1,81 7.325,82 0.922,83 0.545,84 8.37,85 0.5,86 3.825,87 4.197,88 65.5,89 2.596,90 2.596,91 21.66,92 6,93 2.11,94 2.153,95 2.153,96 1.799,97 146.676,98 215.553,99 22,100 6.748,101 229.42,102 3.146,104 1,105 277.61,106 3.563,107 63.834,108 0.703,109 5.203,110 44.101,111 3.57,112 1.802,113 7.542,114 1.824,115 7.551,116 7.551,117 297.847,118 2.924,119 2,120 279.387,121 1.769,122 14,123 4.421,124 12,125 17.513,126 13.166,127 1,128 1.53,129 63.834,130 -2.1,131 6.174,132 6.174,133 1.163,134 1.477,136 2.513,137 7.268}
{0 CHEMBL2172153,1 11,2 0.274,3 1.202,4 7,5 11.292,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.929,13 0.207,14 3.629,15 640.23,16 182.685,17 13,18 1.081,19 3.645,20 3.291,21 90.101,22 1.319,23 5.831,24 16,25 1,26 0.627,27 6,28 9,29 2.004,30 6.639,31 3.692,32 34,33 0.25,34 5.444,35 4.493,36 2.923,37 3.772,38 1.372,39 306.049,40 2.785,41 12.769,42 4.634,43 27.65,44 4.565,45 35.312,46 4.612,47 4.657,48 56.857,49 0.606,50 4.626,51 0.5,52 3.603,53 17.883,54 47.4,55 1.749,56 0.168,57 0.655,58 0.555,59 1.11,60 4,61 6.927,62 2,63 0.242,64 1.061,65 4,66 5,67 1.856,68 2.288,69 2.288,70 5,72 0.5,73 0.33,75 0.537,76 5.248,77 4.545,78 0.5,79 1.582,80 1,81 7.325,82 0.922,83 0.545,84 8.368,85 0.5,86 3.825,87 4.197,88 65.5,89 2.582,90 2.582,91 21.66,92 6,93 2.071,94 2.142,95 2.142,96 1.799,97 146.676,98 215.553,99 22,100 6.752,101 229.337,102 3.121,104 1,105 277.61,106 3.573,107 63.834,108 0.703,109 5.183,110 44.101,111 3.566,112 1.801,113 7.542,114 1.824,115 7.551,116 7.551,117 297.847,118 2.9,119 2,120 279.387,121 1.769,122 14,123 4.418,124 13,125 17.513,126 13.166,127 1,128 1.531,129 63.834,130 -2.1,131 6.113,132 6.113,133 1.163,134 1.477,136 2.513,137 7.097}
{0 CHEMBL2172154,1 11,2 0.274,3 1.202,4 7,5 11.292,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.929,13 0.207,14 3.629,15 640.23,16 182.685,17 13,18 1.081,19 3.645,20 3.291,21 90.101,22 1.319,23 5.831,24 16,25 1,26 0.627,27 6,28 9,29 2.004,30 6.639,31 3.692,32 34,33 0.25,34 5.444,35 4.493,36 2.923,37 3.772,38 1.372,39 306.049,40 2.785,41 12.769,42 4.634,43 27.65,44 4.565,45 35.312,46 4.612,47 4.657,48 56.857,49 0.606,50 4.626,51 0.5,52 3.603,53 17.883,54 47.4,55 1.749,56 0.168,57 0.655,58 0.555,59 1.11,60 4,61 6.927,62 2,63 0.242,64 1.061,65 4,66 5,67 1.856,68 2.288,69 2.288,70 5,72 0.5,73 0.33,75 0.537,76 5.248,77 4.545,78 0.5,79 1.582,80 1,81 7.325,82 0.922,83 0.545,84 8.368,85 0.5,86 3.825,87 4.197,88 65.5,89 2.582,90 2.582,91 21.66,92 6,93 2.071,94 2.142,95 2.142,96 1.799,97 146.676,98 215.553,99 22,100 6.752,101 229.337,102 3.121,104 1,105 277.61,106 3.573,107 63.834,108 0.703,109 5.183,110 44.101,111 3.566,112 1.801,113 7.542,114 1.824,115 7.551,116 7.551,117 297.847,118 2.9,119 2,120 279.387,121 1.769,122 14,123 4.418,124 13,125 17.513,126 13.166,127 1,128 1.531,129 63.834,130 -2.1,131 6.113,132 6.113,133 1.163,134 1.477,136 2.513,137 7.292}
{0 CHEMBL2172155,1 8,2 0.267,3 1.163,4 5,5 11.02,6 482.615,7 482.615,8 482.615,9 482.615,10 482.615,11 482.615,12 4.816,13 0.212,14 3.662,15 637.78,16 184.458,17 13,18 1.081,19 3.668,20 3.387,21 90.052,22 1.282,23 6.042,24 13,25 1,26 0.633,27 6,28 6,29 1.972,30 6.58,31 3.709,32 32,33 0.265,34 5.159,35 4.703,36 2.889,37 3.825,38 1.347,39 353.133,40 2.745,41 14.276,42 4.596,43 27.845,44 4.539,45 35.194,46 4.57,47 4.624,48 79.07,49 0.609,50 4.587,51 0.5,52 3.762,53 17.647,54 46.8,55 1.788,56 0.169,57 0.588,58 0.559,59 1.119,60 3,61 6.883,62 2,63 0.256,64 0.934,65 4,66 4,67 1.811,68 2.581,69 2.581,70 4,72 0.5,73 0.33,75 0.54,76 5.142,77 4.59,78 0.5,79 1.593,80 1,81 7.627,82 0.944,83 0.148,84 8.665,85 0.5,86 3.858,87 4.212,88 66.5,89 2.615,90 2.615,91 23.654,92 6,93 2.079,94 2.169,95 2.169,96 1.799,97 143.274,98 192.037,99 28,100 6.73,101 233.097,102 3.136,104 1,105 270.5,106 3.563,107 80.239,108 0.086,109 5.255,110 40.949,111 3.589,112 1.79,113 7.554,114 1.826,115 8.251,116 8.251,117 330.98,118 2.903,119 2,120 272.276,121 1.785,122 14,123 4.397,124 9,125 17.225,126 13.046,127 1,128 1.556,129 80.239,130 -1.14,131 6.4,132 6.4,133 1.178,134 1.477,136 2.513,137 7.319}
{0 CHEMBL2172156,1 9,2 0.275,3 1.173,4 7,5 11.292,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.929,13 0.208,14 3.618,15 640.23,16 178.858,17 15,18 1.081,19 3.637,20 3.29,21 90.135,22 1.293,23 5.874,24 15,25 1,26 0.627,27 6,28 11,29 1.982,30 6.548,31 3.697,32 34,33 0.25,34 5.364,35 5.812,36 2.96,37 3.767,38 1.334,39 376.675,40 2.664,41 12.661,42 4.594,43 27.633,44 4.548,45 35.6,46 4.575,47 4.617,48 56.857,49 0.606,50 4.591,51 0.5,52 3.596,53 17.822,54 47.4,55 1.739,56 0.168,57 0.655,58 0.549,59 1.11,60 2,61 6.873,62 6,63 0.242,64 1.061,65 4,66 4,67 1.86,68 2.34,69 2.34,70 5,72 0.5,73 0.33,75 0.532,76 5.119,77 4.533,78 0.5,79 1.582,80 1,81 7.325,82 0.927,83 0.545,84 8.328,85 0.5,86 3.855,87 4.197,88 65.5,89 2.581,90 2.581,91 21.463,92 6,93 2.071,94 2.155,95 2.155,96 1.801,97 142.062,98 215.553,99 24,100 6.726,101 224.791,102 3.125,104 1,105 277.61,106 3.601,107 63.834,108 0.703,109 5.17,110 40.939,111 3.563,112 1.799,113 7.522,114 1.843,115 7.2,116 7.2,117 295.181,118 2.871,119 2,120 279.387,121 1.781,122 15,123 4.412,124 13,125 18.015,126 13.543,127 1,128 1.533,129 63.834,130 -2.1,131 6.083,132 6.083,133 1.157,134 1.526,136 2.536,137 7.721}
{0 CHEMBL2172157,1 9,2 0.266,3 1.118,4 6,5 10.231,6 447.302,7 447.302,8 447.302,9 447.302,10 447.302,11 447.302,12 4.807,13 0.216,14 3.616,15 605.63,16 167.077,17 13,18 1.081,19 3.635,20 3.29,21 84.496,22 1.347,23 5.788,24 14,25 1,26 0.63,27 6,28 9,29 1.99,30 6.485,31 3.689,32 32,33 0.258,34 5.293,35 4.087,36 2.778,37 3.766,38 1.35,39 317.82,40 2.516,41 11.902,42 4.535,43 26.663,44 4.471,45 34.213,46 4.506,47 4.55,48 56.857,49 0.613,50 4.511,51 0.5,52 3.6,53 17.255,54 46.1,55 1.747,56 0.171,57 0.655,58 0.571,59 1.09,60 3,61 6.818,62 2,63 0.249,64 1.061,65 4,66 5,67 1.882,68 2.28,69 2.28,70 5,72 0.5,73 0.33,75 0.551,76 5.147,77 4.481,78 0.5,79 1.523,80 1,81 7.503,82 0.928,83 0.545,84 8.033,85 0.5,86 3.824,87 4.167,88 63.5,89 2.581,90 2.581,91 20.767,92 6,93 2.067,94 2.132,95 2.132,96 1.757,97 137.422,98 215.553,99 23,100 6.66,101 218.337,102 3.113,104 1,105 277.61,106 3.571,107 63.834,108 0.221,109 5.166,110 42.52,111 3.563,112 1.799,113 7.54,114 1.889,115 7.535,116 7.535,117 287.514,118 2.871,119 2,120 279.387,121 1.743,122 14,123 4.387,124 11,125 16.634,126 12.351,127 1,128 1.503,129 63.834,130 -1.79,131 6.06,132 6.06,133 1.159,134 1.479,136 2.523,137 7.377}
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{0 CHEMBL2172159,1 7,2 0.265,3 1.106,4 5,5 10.231,6 447.302,7 447.302,8 447.302,9 447.302,10 447.302,11 447.302,12 4.807,13 0.216,14 3.617,15 605.63,16 165.312,17 13,18 1.081,19 3.635,20 3.29,21 84.584,22 1.349,23 5.788,24 12,25 1,26 0.63,27 6,28 10,29 1.988,30 6.458,31 3.689,32 32,33 0.258,34 5.236,35 3.874,36 2.759,37 3.766,38 1.318,39 341.362,40 2.477,41 12.006,42 4.515,43 26.664,44 4.469,45 34.213,46 4.488,47 4.538,48 56.857,49 0.613,50 4.501,51 0.5,52 3.653,53 17.231,54 46.1,55 1.746,56 0.171,57 0.655,58 0.574,59 1.09,60 2,61 6.724,62 2,63 0.249,64 1.061,65 3,66 4,67 1.882,68 2.351,69 2.351,70 5,72 0.5,73 0.33,75 0.554,76 5.118,77 4.479,78 0.5,79 1.524,80 1,81 7.503,82 0.929,83 0.51,84 8.01,85 0.5,86 3.825,87 4.167,88 63.5,89 2.581,90 2.581,91 20.854,92 6,93 2.073,94 2.159,95 2.159,96 1.757,97 136.993,98 215.553,99 24,100 6.661,101 217.386,102 3.128,104 1,105 277.61,106 3.624,107 63.834,108 0.221,109 5.171,110 42.236,111 3.563,112 1.799,113 7.536,114 1.889,115 7.831,116 7.831,117 287.181,118 2.871,119 2,120 279.387,121 1.743,122 14,123 4.383,124 14,125 16.634,126 12.351,127 1,128 1.504,129 63.834,130 -1.79,131 6.091,132 6.091,133 1.142,134 1.479,136 2.522,137 6.213}
{0 CHEMBL2172160,1 8,2 0.268,3 1.157,4 6,5 10.752,6 482.615,7 482.615,8 482.615,9 482.615,10 482.615,11 482.615,12 4.869,13 0.215,14 3.601,15 622.93,16 172.56,17 15,18 1.081,19 3.6,20 3.29,21 87.275,22 1.224,23 5.701,24 15,25 1,26 0.629,27 6,28 8,29 1.882,30 6.541,31 3.644,32 33,33 0.254,34 5.247,35 5.204,36 2.979,37 3.76,38 1.306,39 329.591,40 2.709,41 12.151,42 4.597,43 27.231,44 4.543,45 34.906,46 4.57,47 4.618,48 56.857,49 0.609,50 4.577,51 0.5,52 3.656,53 17.655,54 46.7,55 1.766,56 0.169,57 0.655,58 0.543,59 1.116,60 2,61 6.863,63 0.245,64 1.061,65 3,66 5,67 1.86,68 2.267,69 2.267,70 5,72 0.5,73 0.33,75 0.525,76 4.917,77 4.541,78 0.5,79 1.577,80 1,81 7.411,82 0.929,83 0.588,84 8.171,85 0.5,86 3.779,87 4.182,88 64.5,89 2.581,90 2.581,91 21.015,92 6,93 2.006,94 2.043,95 2.043,96 1.793,97 141.634,98 215.553,99 26,100 6.731,101 224.856,102 3.029,104 1,105 262.724,106 3.499,107 48.948,108 0.429,109 5.078,110 43.147,111 3.562,112 1.799,113 7.482,114 1.803,115 8.25,116 8.25,117 291.875,118 2.871,119 3,120 264.5,121 1.751,122 13,123 4.413,124 10,125 17.321,126 12.942,127 1,128 1.507,129 48.948,130 -1.95,131 5.69,132 5.69,133 1.102,134 1.293,136 2.465,137 6.66}
{0 CHEMBL2172161,1 9,2 0.273,3 1.183,4 7,5 11.28,6 506.157,7 506.157,8 506.157,9 506.157,10 506.157,11 506.157,12 4.929,13 0.21,14 3.611,15 640.23,16 178.414,17 16,18 1.081,19 3.613,20 3.29,21 90.125,22 1.293,23 5.701,24 16,25 1,26 0.627,27 6,28 9,29 1.982,30 6.565,31 3.648,32 34,33 0.25,34 5.324,35 6.297,36 3.065,37 3.763,38 1.311,39 353.133,40 2.788,41 12.505,42 4.625,43 27.731,44 4.586,45 35.6,46 4.608,47 4.651,48 56.857,49 0.606,50 4.629,51 0.5,52 3.655,53 17.905,54 47.4,55 1.759,56 0.168,57 0.655,58 0.533,59 1.125,60 2,61 6.888,62 2,63 0.242,64 1.061,65 3,66 5,67 1.853,68 2.267,69 2.267,70 5,72 0.5,73 0.33,75 0.516,76 4.911,77 4.555,78 0.5,79 1.581,80 1,81 7.325,82 0.928,83 0.588,84 8.319,85 0.5,86 3.785,87 4.197,88 65.5,89 2.581,90 2.581,91 21.368,92 6,93 2.005,94 2.042,95 2.042,96 1.794,97 144.168,98 215.553,99 26,100 6.757,101 227.715,102 3.028,104 1,105 262.724,106 3.581,107 48.948,108 0.703,109 5.073,110 43.147,111 3.562,112 1.799,113 7.499,114 1.814,115 8.25,116 8.25,117 295.875,118 2.871,119 3,120 264.5,121 1.759,122 13,123 4.422,124 11,125 18.015,126 13.543,127 1,128 1.527,129 48.948,130 -2.1,131 5.672,132 5.672,133 1.115,134 1.399,136 2.464,137 7.252}
{0 CHEMBL2172162,1 6,2 0.25,3 1.105,4 4,5 9.877,6 435.531,7 435.531,8 435.531,9 435.531,10 435.531,11 423.76,12 4.783,13 0.232,14 3.552,15 594.3,16 152.665,17 11,18 1.035,19 3.565,20 3.29,21 84.475,22 1.225,23 5.477,24 13,25 1,26 0.635,27 6,28 8,29 1.882,30 6.531,31 3.65,32 32,33 0.26,34 5.319,35 2.439,36 2.535,37 3.737,38 1.311,39 329.591,40 2.542,41 11.546,42 4.562,43 26.837,44 4.494,45 34.213,46 4.535,47 4.588,48 65.905,49 0.617,50 4.547,51 0.5,52 3.594,53 17.177,54 45.5,55 1.828,56 0.171,57 0.655,58 0.608,59 1.078,60 2,61 6.779,63 0.25,64 0.957,65 4,66 4,67 1.799,68 2.267,69 2.267,70 4,72 0.5,73 0.33,75 0.584,76 5.34,77 4.519,78 0.5,79 1.548,80 1,81 7.555,82 0.937,83 0.13,84 7.888,85 0.5,86 3.772,87 4.19,88 65,89 2.578,90 2.578,91 20.789,92 7,93 2.021,94 2.059,95 2.059,96 1.757,97 150.606,98 190.408,99 22,100 6.642,101 222.164,102 3.046,104 2,105 251.24,106 3.482,107 79.394,108 0.647,109 5.008,110 42.151,111 3.536,112 1.772,113 7.467,114 1.802,115 7.691,116 7.691,117 287.076,118 2.87,119 2,120 269.802,121 1.743,122 13,123 8.925,124 10,125 16.457,126 12.132,127 1,128 1.487,129 79.394,130 -2.07,131 5.752,132 5.752,133 1.086,134 1.293,136 2.461,137 7.252}
{0 CHEMBL2172163,1 6,2 0.247,3 1.072,4 4,5 10.155,6 447.302,7 447.302,8 447.302,9 447.302,10 447.302,11 447.302,12 4.834,13 0.237,14 3.59,15 604.26,16 150.671,17 11,18 1.08,19 3.592,20 3.29,21 84.466,22 1.272,23 5.431,24 15,25 1,26 0.643,27 11,28 12,29 1.982,30 6.539,31 3.641,32 34,33 0.252,34 5.236,35 2.688,36 2.764,37 3.733,38 1.265,39 341.362,40 2.633,41 11.529,42 4.585,43 26.649,44 4.524,45 34.501,46 4.559,47 4.623,48 104.239,49 0.623,50 4.586,51 0.5,52 3.594,53 17.092,54 45.5,55 1.828,56 0.17,57 0.655,58 0.572,59 1.054,60 2,61 6.769,63 0.242,64 0.957,65 3,66 6,67 1.833,68 2.264,69 2.264,70 4,72 0.5,73 0.33,75 0.55,76 4.993,77 4.498,78 0.5,79 1.538,80 1,81 7.509,82 0.938,83 0.13,84 7.872,85 0.5,86 3.771,87 4.197,88 65.5,89 2.447,90 2.447,91 20.509,92 11,93 1.895,94 1.994,95 1.994,96 1.757,97 178.215,98 190.408,99 27,100 6.633,101 218.145,102 2.952,104 1,105 234.454,106 3.482,107 45.823,108 2.848,109 4.629,110 39.726,111 3.439,112 1.799,113 7.456,114 1.804,115 7.398,116 7.398,117 281.246,118 2.871,119 2,120 236.231,121 1.743,122 13,123 4.441,124 14,125 16.843,126 12.364,127 1,128 1.486,129 45.823,130 -2.82,131 5.063,132 5.063,133 1.082,134 1.293,136 2.213,137 7.481}
{0 CHEMBL2172164,1 13,2 0.278,3 1.182,4 9,5 11.304,6 482.615,7 482.615,8 482.615,9 482.615,10 482.615,11 482.615,12 4.929,13 0.204,14 3.641,15 640.23,16 179.937,17 14,18 1.081,19 3.654,20 3.302,21 90.155,22 1.395,23 5.874,24 18,25 1,26 0.627,27 6,28 7,29 2.014,30 6.508,31 3.696,32 34,33 0.25,34 5.404,35 5.678,36 2.917,37 3.783,38 1.4,39 282.506,40 2.651,41 12.713,42 4.59,43 27.599,44 4.544,45 35.6,46 4.57,47 4.608,48 56.857,49 0.606,50 4.588,51 0.5,52 3.602,53 17.595,54 47.4,55 1.741,56 0.168,57 0.655,58 0.556,59 1.094,60 4,61 6.877,62 2,63 0.242,64 1.058,65 3,66 7,67 1.856,68 2.332,69 2.332,70 5,72 0.5,73 0.33,75 0.538,76 5.088,77 4.535,78 0.5,79 1.582,80 1,81 7.325,82 0.925,83 0.248,84 8.347,85 0.5,86 3.825,87 4.197,88 65.5,89 2.556,90 2.556,91 21.581,92 6,93 2.137,94 2.163,95 2.163,96 1.799,97 140.814,98 215.553,99 20,100 6.714,101 224.465,102 3.163,104 1,105 292.497,106 3.608,107 78.72,108 0.703,109 5.2,110 45.982,111 3.543,112 1.802,113 7.519,114 1.824,115 7.551,116 7.551,117 295.153,118 2.794,119 1,120 294.273,121 1.769,122 15,123 4.404,124 9,125 18.015,126 13.543,127 1,128 1.531,129 78.72,130 -2.1,131 6.182,132 6.182,133 1.219,134 1.477,136 2.513,137 5.301}
{0 CHEMBL2172165,1 15,2 0.287,3 1.223,4 11,5 12.359,6 529.7,7 529.7,8 529.7,9 529.7,10 529.7,11 529.7,12 5.044,13 0.196,14 3.636,15 674.83,16 193.149,17 16,18 1.216,19 3.649,20 3.519,21 96.025,22 1.399,23 6.042,24 18,25 1,26 0.625,27 6,28 9,29 2.014,30 6.617,31 3.69,32 36,33 0.242,34 5.431,35 7.311,36 3.098,37 3.773,38 1.405,39 341.362,40 2.774,41 13.477,42 4.64,43 28.568,44 4.593,45 36.986,46 4.618,47 4.659,48 56.857,49 0.6,50 4.647,51 0.5,52 3.603,53 18.059,54 48.5,55 1.722,56 0.164,57 0.588,58 0.535,59 1.113,60 4,61 6.915,62 7,63 0.235,64 1.061,65 4,66 7,67 1.898,68 2.293,69 2.293,70 5,72 0.5,73 0.33,75 0.519,76 5.082,77 4.563,78 0.5,79 1.622,80 1,81 7.168,82 0.924,83 0.366,84 8.645,85 0.5,86 3.825,87 4.227,88 67.5,89 2.551,90 2.551,91 22.298,92 6,93 2.08,94 2.152,95 2.152,96 1.824,97 145.883,98 215.553,99 20,100 6.742,101 229.384,102 3.134,104 1,105 292.497,106 3.71,107 78.72,108 1.436,109 5.159,110 45.98,111 3.525,112 1.856,113 7.541,114 1.892,115 7.424,116 7.424,117 303.153,118 2.872,119 2,120 294.273,121 1.851,122 17,123 4.429,124 12,125 19.424,126 14.771,127 1,128 1.583,129 78.72,130 -2.41,131 6.076,132 6.076,133 1.236,134 1.477,136 2.513,137 7.658}
{0 CHEMBL2172166,1 5,2 0.248,3 1.035,4 4,5 8.386,6 376.675,7 376.675,8 376.675,9 376.675,10 376.675,11 376.675,12 4.566,13 0.233,14 3.509,15 537.79,16 158.334,17 11,18 0.937,19 3.521,20 3.198,21 81.708,22 1.198,23 5.385,24 11,25 1,26 0.634,27 6,28 8,29 1.882,30 6.367,31 3.605,32 28,33 0.271,34 5.147,35 1.254,36 2.508,37 3.693,38 1.295,39 294.278,40 2.115,41 9.916,42 4.374,43 23.587,44 4.355,45 29.937,46 4.365,47 4.384,48 56.857,49 0.623,50 4.357,51 0.5,52 3.594,53 15.139,54 44.2,55 1.804,56 0.183,57 0.655,58 0.6,59 1.083,60 1,61 6.663,63 0.261,64 1.061,65 3,66 3,67 1.799,68 2.198,69 2.198,70 5,72 0.5,73 0.33,75 0.577,76 5.059,77 4.4,78 0.63,79 1.485,80 1,81 7.775,82 0.921,83 0.295,84 7.111,85 0.5,86 3.767,87 4.069,88 57.5,89 2.268,90 2.268,91 18.424,92 6,93 1.881,94 1.941,95 1.941,96 1.757,97 132.353,98 215.553,99 21,100 6.611,101 193.454,102 2.929,104 1,105 259.599,106 3.354,107 45.823,108 0.16,109 4.629,110 37.215,111 3.249,112 1.7,113 7.331,114 1.761,115 6.493,116 6.493,117 255.46,118 2.855,119 1,120 261.376,121 1.742,122 12,123 4.326,124 12,125 15.207,126 11.421,127 1,128 1.458,129 45.823,130 -1.73,131 5.059,132 5.059,133 1.093,134 1.293,136 2.183,137 6.762}
{0 CHEMBL2172264,1 6,2 0.252,3 1.08,4 4,5 9.015,6 388.446,7 388.446,8 388.446,9 388.446,10 388.446,11 388.446,12 4.656,13 0.228,14 3.51,15 566.09,16 173.827,17 11,18 1.012,19 3.522,20 3.205,21 87.865,22 1.215,23 5.657,24 12,25 1,26 0.629,27 6,28 8,29 1.882,30 6.409,31 3.606,32 29,33 0.268,34 5.225,35 1.503,36 2.555,37 3.694,38 1.32,39 282.506,40 2.217,41 10.521,42 4.454,43 24.597,44 4.427,45 31.035,46 4.459,47 4.47,48 56.857,49 0.616,50 4.459,51 0.5,52 3.594,53 15.693,54 45.1,55 1.795,56 0.18,57 0.655,58 0.598,59 1.079,60 2,61 6.813,63 0.258,64 1.061,65 4,66 3,67 1.799,68 2.258,69 2.258,70 5,72 0.5,73 0.33,75 0.577,76 5.156,77 4.445,78 0.63,79 1.502,80 1,81 7.655,82 0.92,83 0.535,84 7.454,85 0.5,86 3.768,87 4.103,88 59.5,89 2.313,90 2.313,91 19.355,92 6,93 1.885,94 1.984,95 1.984,96 1.757,97 132.353,98 215.553,99 22,100 6.646,101 203.307,102 2.943,104 1,105 292.497,106 3.395,107 78.72,108 0.01,109 4.629,110 37.811,111 3.31,112 1.762,113 7.38,114 1.801,115 6.649,116 6.649,117 266.487,118 2.87,119 2,120 294.273,121 1.743,122 13,123 4.347,124 10,125 16.063,126 12.213,127 1,128 1.47,129 78.72,130 -1.3,131 5.061,132 5.061,133 1.118,134 1.293,136 2.438,137 6.548}
{0 CHEMBL2172265,1 6,2 0.253,3 1.095,4 4,5 9.538,6 423.76,7 423.76,8 423.76,9 423.76,10 423.76,11 423.76,12 4.724,13 0.227,14 3.51,15 583.39,16 177.805,17 11,18 1.021,19 3.522,20 3.219,21 91.022,22 1.218,23 5.745,24 12,25 1,26 0.627,27 6,28 8,29 1.882,30 6.446,31 3.606,32 30,33 0.263,34 5.203,35 1.728,36 2.678,37 3.694,38 1.284,39 317.82,40 2.364,41 10.733,42 4.502,43 25.065,44 4.453,45 31.728,46 4.492,47 4.521,48 56.857,49 0.612,50 4.492,51 0.5,52 3.594,53 16.211,54 45.9,55 1.775,56 0.178,57 0.655,58 0.582,59 1.108,60 2,61 6.815,63 0.254,64 1.061,65 4,66 3,67 1.799,68 2.262,69 2.262,70 5,72 0.5,73 0.33,75 0.562,76 5.195,77 4.46,78 0.63,79 1.505,80 1,81 7.55,82 0.916,83 0.545,84 7.565,85 0.5,86 3.768,87 4.119,88 60.5,89 2.355,90 2.355,91 19.496,92 6,93 1.886,94 1.987,95 1.987,96 1.757,97 140.75,98 215.553,99 25,100 6.671,101 205.763,102 2.945,104 1,105 277.61,106 3.45,107 63.834,108 0.008,109 4.629,110 39.358,111 3.352,112 1.78,113 7.396,114 1.802,115 6.905,116 6.905,117 270.848,118 2.871,119 2,120 279.387,121 1.743,122 13,123 4.371,124 10,125 16.767,126 12.829,127 1,128 1.471,129 63.834,130 -1.47,131 5.062,132 5.062,133 1.079,134 1.293,136 2.441,137 6.271}
{0 CHEMBL2172266,1 6,2 0.26,3 1.125,4 4,5 10.066,6 447.302,7 447.302,8 447.302,9 447.302,10 447.302,11 447.302,12 4.789,13 0.222,14 3.51,15 600.69,16 184.506,17 12,18 1.041,19 3.522,20 3.29,21 94.234,22 1.22,23 5.831,24 13,25 1,26 0.626,27 6,28 8,29 1.887,30 6.474,31 3.607,32 31,33 0.259,34 5.299,35 2.193,36 2.799,37 3.694,38 1.322,39 306.049,40 2.478,41 11.013,42 4.533,43 25.643,44 4.476,45 32.422,46 4.517,47 4.552,48 56.857,49 0.608,50 4.519,51 0.5,52 3.595,53 16.311,54 46.6,55 1.772,56 0.176,57 0.655,58 0.567,59 1.118,60 2,61 6.843,63 0.25,64 1.061,65 4,66 4,67 1.828,68 2.262,69 2.262,70 5,72 0.5,73 0.33,75 0.548,76 5.106,77 4.477,78 0.63,79 1.516,80 1,81 7.452,82 0.916,83 0.545,84 7.718,85 0.5,86 3.768,87 4.135,88 61.5,89 2.366,90 2.366,91 19.877,92 6,93 1.886,94 1.988,95 1.988,96 1.757,97 143.284,98 215.553,99 24,100 6.689,101 208.721,102 2.946,104 1,105 277.61,106 3.466,107 63.834,108 0.08,109 4.629,110 40.939,111 3.363,112 1.799,113 7.408,114 1.804,115 6.962,116 6.962,117 275.181,118 2.871,119 2,120 279.387,121 1.743,122 14,123 4.382,124 10,125 17.478,126 13.454,127 1,128 1.473,129 63.834,130 -1.63,131 5.062,132 5.062,133 1.112,134 1.293,136 2.442,137 6.519}
{0 CHEMBL2172267,1 7,2 0.265,3 1.147,4 5,5 10.592,6 470.844,7 470.844,8 470.844,9 470.844,10 470.844,11 470.844,12 4.852,13 0.217,14 3.51,15 617.99,16 191.733,17 13,18 1.081,19 3.522,20 3.29,21 97.503,22 1.224,23 5.916,24 14,25 1,26 0.625,27 6,28 9,29 1.935,30 6.499,31 3.607,32 32,33 0.254,34 5.319,35 3.049,36 2.885,37 3.695,38 1.327,39 341.362,40 2.548,41 11.41,42 4.557,43 26.13,44 4.5,45 33.115,46 4.538,47 4.578,48 56.857,49 0.605,50 4.546,51 0.5,52 3.596,53 16.58,54 47.3,55 1.757,56 0.174,57 0.655,58 0.557,59 1.128,60 2,61 6.858,62 3,63 0.246,64 1.061,65 4,66 4,67 1.851,68 2.262,69 2.262,70 5,72 0.5,73 0.33,75 0.539,76 5.106,77 4.492,78 0.63,79 1.572,80 1,81 7.361,82 0.915,83 0.545,84 7.869,85 0.5,86 3.768,87 4.151,88 62.5,89 2.37,90 2.37,91 20.23,92 6,93 1.887,94 1.988,95 1.988,96 1.787,97 145.819,98 215.553,99 24,100 6.704,101 210.976,102 2.946,104 1,105 277.61,106 3.561,107 63.834,108 0.221,109 4.629,110 40.939,111 3.365,112 1.799,113 7.42,114 1.808,115 6.968,116 6.968,117 279.181,118 2.871,119 2,120 279.387,121 1.749,122 15,123 4.391,124 11,125 18.197,126 14.088,127 1,128 1.503,129 63.834,130 -1.79,131 5.062,132 5.062,133 1.126,134 1.293,136 2.442,137 7.18}
{0 CHEMBL2172268,1 7,2 0.262,3 1.164,4 4,5 10.592,6 470.844,7 470.844,8 470.844,9 470.844,10 470.844,11 470.844,12 4.852,13 0.217,14 3.51,15 617.99,16 193.257,17 11,18 1.081,19 3.522,20 3.29,21 97.499,22 1.222,23 6,24 14,25 1,26 0.625,27 6,28 8,29 1.934,30 6.501,31 3.607,32 32,33 0.254,34 5.278,35 1.716,36 2.837,37 3.696,38 1.336,39 294.278,40 2.592,41 11.782,42 4.563,43 26.178,44 4.51,45 32.827,46 4.548,47 4.583,48 56.857,49 0.605,50 4.56,51 0.5,52 3.601,53 16.41,54 47.3,55 1.774,56 0.175,57 0.655,58 0.564,59 1.128,60 3,61 6.873,63 0.246,64 1.061,65 4,66 5,67 1.847,68 2.265,69 2.265,70 5,72 0.5,73 0.33,75 0.546,76 5.142,77 4.503,78 0.63,79 1.564,80 1,81 7.361,82 0.911,83 0.545,84 7.889,85 0.5,86 3.768,87 4.151,88 62.5,89 2.441,90 2.441,91 20.718,92 6,93 1.986,94 2.035,95 2.035,96 1.778,97 150.004,98 215.553,99 23,100 6.719,101 215.074,102 3.015,104 1,105 277.61,106 3.482,107 63.834,108 0.221,109 4.742,110 42.52,111 3.425,112 1.799,113 7.434,114 1.806,115 7.113,116 7.113,117 281.514,118 2.871,119 2,120 279.387,121 1.743,122 14,123 4.39,124 10,125 17.652,126 13.666,127 1,128 1.497,129 63.834,130 -1.79,131 5.165,132 5.165,133 1.115,134 1.293,136 2.448,137 7.252}
{0 CHEMBL2172269,1 6,2 0.263,3 1.213,4 4,5 11.116,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.913,13 0.212,14 3.559,15 635.29,16 203.493,17 11,18 1.081,19 3.552,20 3.29,21 100.819,22 1.225,23 6.245,24 15,25 1,26 0.623,27 6,28 8,29 1.979,30 6.527,31 3.61,32 33,33 0.251,34 5.232,35 1.675,36 2.92,37 3.718,38 1.327,39 282.506,40 2.706,41 12.858,42 4.592,43 26.681,44 4.556,45 33.115,46 4.584,47 4.612,48 56.857,49 0.602,50 4.612,51 0.5,52 3.628,53 16.502,54 47.9,55 1.778,56 0.174,57 0.655,58 0.554,59 1.137,60 2,61 6.902,63 0.243,64 1.061,65 4,66 6,67 1.852,68 2.305,69 2.305,70 5,72 0.5,73 0.33,75 0.537,76 5.049,77 4.538,78 0.63,79 1.581,80 1,81 7.275,82 0.904,83 0.545,84 8.07,85 0.5,86 3.769,87 4.167,88 63.5,89 2.581,90 2.581,91 21.853,92 6,93 2.069,94 2.142,95 2.142,96 1.79,97 158.829,98 215.553,99 22,100 6.759,101 225.318,102 3.119,104 1,105 277.61,106 3.489,107 63.834,108 0.429,109 5.169,110 44.101,111 3.563,112 1.799,113 7.48,114 1.81,115 8.251,116 8.251,117 289.847,118 2.885,119 2,120 279.387,121 1.755,122 14,123 4.398,124 10,125 17.321,126 13.484,127 1,128 1.522,129 63.834,130 -1.95,131 6.078,132 6.078,133 1.091,134 1.293,136 2.541,137 7.387}
{0 CHEMBL2172270,1 9,2 0.266,3 1.129,4 6,5 10.231,6 447.302,7 447.302,8 447.302,9 447.302,10 447.302,11 447.302,12 4.807,13 0.216,14 3.617,15 605.63,16 167.84,17 13,18 1.025,19 3.636,20 3.29,21 84.462,22 1.219,23 5.788,24 14,25 1,26 0.63,27 6,28 8,29 1.882,30 6.506,31 3.691,32 32,33 0.258,34 5.278,35 3.705,36 2.778,37 3.766,38 1.364,39 294.278,40 2.561,41 11.902,42 4.554,43 26.665,44 4.49,45 34.213,46 4.534,47 4.571,48 56.857,49 0.613,50 4.535,51 0.5,52 3.604,53 16.681,54 46.1,55 1.767,56 0.171,57 0.655,58 0.571,59 1.09,60 3,61 6.851,63 0.249,64 1.061,65 4,66 5,67 1.799,68 2.292,69 2.292,70 5,72 0.5,73 0.33,75 0.551,76 5.147,77 4.494,78 0.5,79 1.504,80 1,81 7.503,82 0.928,83 0.545,84 8.039,85 0.5,86 3.823,87 4.167,88 63.5,89 2.581,90 2.581,91 20.767,92 6,93 2.069,94 2.14,95 2.14,96 1.757,97 137.422,98 215.553,99 23,100 6.691,101 220.881,102 3.118,104 1,105 277.61,106 3.482,107 63.834,108 0.221,109 5.168,110 42.52,111 3.563,112 1.765,113 7.47,114 1.802,115 7.726,116 7.726,117 287.514,118 2.871,119 2,120 279.387,121 1.743,122 14,123 4.397,124 10,125 16.634,126 12.351,127 1,128 1.471,129 63.834,130 -1.79,131 6.073,132 6.073,133 1.157,134 1.293,136 2.526,137 6.979}
{0 CHEMBL2172271,1 9,2 0.266,3 1.129,4 6,5 10.231,6 447.302,7 447.302,8 447.302,9 447.302,10 447.302,11 447.302,12 4.807,13 0.216,14 3.617,15 605.63,16 167.84,17 13,18 1.025,19 3.636,20 3.29,21 84.462,22 1.219,23 5.788,24 14,25 1,26 0.63,27 6,28 8,29 1.882,30 6.506,31 3.691,32 32,33 0.258,34 5.278,35 3.705,36 2.778,37 3.766,38 1.364,39 294.278,40 2.561,41 11.902,42 4.554,43 26.665,44 4.49,45 34.213,46 4.534,47 4.571,48 56.857,49 0.613,50 4.535,51 0.5,52 3.604,53 16.681,54 46.1,55 1.767,56 0.171,57 0.655,58 0.571,59 1.09,60 3,61 6.851,63 0.249,64 1.061,65 4,66 5,67 1.799,68 2.292,69 2.292,70 5,72 0.5,73 0.33,75 0.551,76 5.147,77 4.494,78 0.5,79 1.504,80 1,81 7.503,82 0.928,83 0.545,84 8.039,85 0.5,86 3.823,87 4.167,88 63.5,89 2.581,90 2.581,91 20.767,92 6,93 2.069,94 2.14,95 2.14,96 1.757,97 137.422,98 215.553,99 23,100 6.691,101 220.881,102 3.118,104 1,105 277.61,106 3.482,107 63.834,108 0.221,109 5.168,110 42.52,111 3.563,112 1.765,113 7.47,114 1.802,115 7.726,116 7.726,117 287.514,118 2.871,119 2,120 279.387,121 1.743,122 14,123 4.397,124 10,125 16.634,126 12.351,127 1,128 1.471,129 63.834,130 -1.79,131 6.073,132 6.073,133 1.157,134 1.293,136 2.526,137 6.019}
{0 CHEMBL2172272,1 10,2 0.271,3 1.154,4 7,5 10.763,6 470.844,7 470.844,8 470.844,9 470.844,10 470.844,11 470.844,12 4.869,13 0.212,14 3.617,15 622.93,16 173.713,17 14,18 1.081,19 3.636,20 3.29,21 87.274,22 1.293,23 5.788,24 15,25 1,26 0.629,27 6,28 9,29 1.982,30 6.53,31 3.689,32 33,33 0.254,34 5.288,35 4.785,36 2.871,37 3.766,38 1.36,39 317.82,40 2.64,41 12.255,42 4.578,43 27.165,44 4.522,45 34.906,46 4.556,47 4.597,48 56.857,49 0.609,50 4.564,51 0.5,52 3.603,53 17.497,54 46.7,55 1.752,56 0.169,57 0.655,58 0.56,59 1.1,60 3,61 6.869,62 2,63 0.245,64 1.061,65 4,66 5,67 1.856,68 2.286,69 2.286,70 5,72 0.5,73 0.33,75 0.541,76 5.132,77 4.52,78 0.5,79 1.582,80 1,81 7.411,82 0.927,83 0.545,84 8.188,85 0.5,86 3.825,87 4.182,88 64.5,89 2.581,90 2.581,91 21.121,92 6,93 2.068,94 2.139,95 2.139,96 1.799,97 139.957,98 215.553,99 23,100 6.71,101 222.722,102 3.117,104 1,105 277.61,106 3.576,107 63.834,108 0.429,109 5.167,110 42.52,111 3.563,112 1.799,113 7.512,114 1.824,115 7.551,116 7.551,117 291.514,118 2.871,119 2,120 279.387,121 1.769,122 14,123 4.406,124 11,125 17.321,126 12.942,127 1,128 1.53,129 63.834,130 -1.95,131 6.068,132 6.068,133 1.162,134 1.477,136 2.513,137 8.137}
{0 CHEMBL2172273,1 11,2 0.275,3 1.184,4 8,5 11.292,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.929,13 0.207,14 3.617,15 640.23,16 179.701,17 15,18 1.19,19 3.636,20 3.29,21 90.129,22 1.237,23 5.788,24 16,25 1,26 0.627,27 6,28 10,29 1.885,30 6.555,31 3.687,32 34,33 0.25,34 5.324,35 5.864,36 2.962,37 3.766,38 1.348,39 341.362,40 2.719,41 12.609,42 4.603,43 27.665,44 4.564,45 35.6,46 4.581,47 4.622,48 56.857,49 0.606,50 4.597,51 0.5,52 3.603,53 17.747,54 47.4,55 1.757,56 0.168,57 0.655,58 0.549,59 1.11,60 3,61 6.888,62 4,63 0.242,64 1.061,65 4,66 5,67 1.86,68 2.282,69 2.282,70 5,72 0.5,73 0.33,75 0.531,76 5.093,77 4.555,78 0.5,79 1.577,80 1,81 7.325,82 0.926,83 0.545,84 8.337,85 0.5,86 3.826,87 4.197,88 65.5,89 2.579,90 2.579,91 21.474,92 6,93 2.068,94 2.138,95 2.138,96 1.793,97 142.491,98 215.553,99 23,100 6.733,101 227.009,102 3.117,104 1,105 277.61,106 3.59,107 63.834,108 0.703,109 5.166,110 42.52,111 3.557,112 1.828,113 7.489,114 1.804,115 7.505,116 7.505,117 295.514,118 2.871,119 2,120 279.387,121 1.751,122 14,123 4.415,124 12,125 18.015,126 13.543,127 1,128 1.507,129 63.834,130 -2.1,131 6.064,132 6.064,133 1.16,134 1.293,136 2.502,137 7.699}
{0 CHEMBL2172274,1 10,2 0.271,3 1.185,4 7,5 11.28,6 506.157,7 506.157,8 506.157,9 506.157,10 506.157,11 506.157,12 4.929,13 0.211,14 3.617,15 640.23,16 180.342,17 14,18 1.081,19 3.636,20 3.29,21 90.125,22 1.293,23 5.958,24 16,25 1,26 0.627,27 6,28 9,29 1.982,30 6.563,31 3.692,32 34,33 0.25,34 5.364,35 4.873,36 2.981,37 3.766,38 1.305,39 353.133,40 2.816,41 12.653,42 4.64,43 27.673,44 4.57,45 35.312,46 4.619,47 4.674,48 56.857,49 0.606,50 4.636,51 0.5,52 3.664,53 18.234,54 47.4,55 1.747,56 0.168,57 0.655,58 0.546,59 1.125,60 3,61 6.902,62 2,63 0.242,64 1.061,65 3,66 5,67 1.857,68 2.287,69 2.287,70 5,72 0.5,73 0.33,75 0.529,76 5.151,77 4.543,78 0.5,79 1.582,80 1,81 7.325,82 0.924,83 0.588,84 8.336,85 0.5,86 3.828,87 4.197,88 65.5,89 2.581,90 2.581,91 21.52,92 6,93 2.071,94 2.146,95 2.146,96 1.8,97 148.353,98 215.553,99 26,100 6.76,101 229.472,102 3.121,104 1,105 262.724,106 3.581,107 48.948,108 0.703,109 5.17,110 43.147,111 3.563,112 1.799,113 7.545,114 1.828,115 8.25,116 8.25,117 297.875,118 2.871,119 3,120 264.5,121 1.772,122 14,123 4.419,124 11,125 17.513,126 13.166,127 1,128 1.531,129 48.948,130 -2.1,131 6.081,132 6.081,133 1.101,134 1.489,136 2.519,137 7.569}
{0 CHEMBL2172275,1 3,2 0.256,3 1.168,4 2,5 9.479,6 423.76,7 423.76,8 423.76,9 423.76,10 423.76,11 423.76,12 4.71,13 0.216,14 3.441,15 548.09,16 177.959,17 8,18 0.937,19 3.448,20 3.245,21 94.059,22 1.247,23 5.958,24 10,25 1,26 0.626,27 4,28 11,29 1.886,30 6.475,31 3.507,32 29,33 0.255,34 5.154,35 0.78,36 2.68,37 3.579,38 1.156,39 258.964,40 2.481,41 10.329,42 4.491,43 22.614,44 4.416,45 27.452,46 4.451,47 4.525,48 37.905,49 0.606,50 4.47,51 0.5,52 3.593,53 14.41,54 47.5,55 1.798,56 0.191,57 0.588,58 0.576,59 1.133,60 1,61 6.67,62 3,63 0.247,64 0.965,65 3,66 6,67 1.799,68 2.246,69 2.246,70 4,72 0.5,73 0.33,75 0.558,76 4.975,77 4.374,78 0.63,79 1.48,80 1,81 7.334,82 0.894,83 0.13,84 6.841,85 0.5,86 3.729,87 4.016,88 54.5,89 2.292,90 2.292,91 18.46,92 4,93 1.763,94 1.863,95 1.863,96 1.732,97 144.884,98 201.408,99 17,100 6.609,101 190.414,102 2.815,104 2,105 242.453,106 3.288,107 41.045,108 0.345,109 4.631,110 32.683,111 3.271,112 1.787,113 7.336,114 1.757,115 6.727,116 6.727,117 246.622,118 2.893,119 1,120 242.453,121 1.714,122 13,123 4.467,124 11,125 14.764,126 11.687,127 1,128 1.415,129 41.045,130 -1.89,131 5.07,132 5.07,133 1.009,134 1.294,136 2.183,137 7.066}
{0 CHEMBL2172276,1 3,2 0.239,3 0.928,4 2,5 6.533,6 282.506,7 282.506,8 282.506,9 282.506,10 282.506,11 282.506,12 4.225,13 0.241,14 3.29,15 423.05,16 116.963,17 7,18 0.825,19 3.301,20 2.941,21 67.161,22 1.198,23 4.796,24 4,25 1,26 0.633,27 6,28 7,29 1.882,30 6.082,31 3.434,32 22,33 0.288,34 4.653,35 0.767,36 2.1,37 3.536,38 1.33,39 223.651,40 1.63,41 7.605,42 4.129,43 18.491,44 4.115,45 23.175,46 4.13,47 4.145,48 56.857,49 0.621,50 4.133,51 0.67,52 3.558,53 11.682,54 44.3,55 1.83,56 0.208,57 0.068,58 0.646,59 1.053,60 1,61 6.478,63 0.276,64 0.588,65 4,66 3,67 1.615,68 1.964,69 1.964,70 3,71 1,72 0.75,73 0.67,75 0.62,76 4.832,77 4.15,78 0.75,79 1.304,80 1,81 7.763,82 0.9,84 5.535,85 0.67,86 3.69,87 3.839,88 45.5,89 2.125,90 2.125,91 14.515,92 6,93 1.4,94 1.469,95 1.469,96 1.541,97 106.362,98 196.946,99 17,100 6.339,101 150.165,102 2.439,103 0.5,104 1,105 237.869,106 3.201,107 42.699,108 0.376,109 4.033,110 27.359,111 3.096,112 1.513,113 7.081,114 1.673,115 5.678,116 5.678,117 198.844,118 2.582,119 1,120 239.645,121 1.587,122 9,123 4.102,124 8,125 11.969,126 9.041,127 1,128 1.263,129 42.699,130 -1.91,131 3.386,132 3.386,133 1.105,134 1.293,135 1,136 1.794,137 5.301}
{0 CHEMBL2172277,1 6,2 0.264,3 1.116,4 5,5 9.253,6 411.989,7 411.989,8 411.989,9 411.989,10 411.989,11 411.989,12 4.672,13 0.216,14 3.506,15 546.73,16 154.088,17 11,18 0.937,19 3.518,20 3.276,21 81.668,22 1.293,23 5.657,24 11,25 1,26 0.629,27 6,28 9,29 1.982,30 6.461,31 3.598,32 29,33 0.261,34 5.037,35 2.487,36 2.653,37 3.684,38 1.306,39 270.735,40 2.468,41 10.255,42 4.493,43 23.687,44 4.373,45 29.819,46 4.423,47 4.506,48 56.857,49 0.612,50 4.415,51 0.5,52 3.594,53 15.273,54 46.3,55 1.767,56 0.183,57 0.588,58 0.58,59 1.106,60 1,61 6.682,62 2,63 0.252,64 0.965,65 3,66 6,67 1.799,68 2.145,69 2.145,70 4,72 0.5,73 0.33,75 0.56,76 4.925,77 4.392,78 0.63,79 1.48,80 1,81 7.496,82 0.91,83 0.13,84 7.115,85 0.5,86 3.76,87 4.052,88 56.5,89 2.263,90 2.263,91 18.407,92 6,93 1.739,94 1.856,95 1.856,96 1.753,97 139.389,98 201.408,99 19,100 6.578,101 196.316,102 2.805,104 1,105 242.33,106 3.293,107 42.699,108 1.871,109 4.629,110 34.814,111 3.248,112 1.799,113 7.41,114 1.757,115 6.474,116 6.474,117 257.48,118 2.867,119 1,120 244.107,121 1.731,122 14,123 4.423,124 10,125 14.929,126 11.323,127 1,128 1.415,129 42.699,130 -2.55,131 4.8,132 4.8,133 1.134,134 1.453,136 2.178,137 6.857}
{0 CHEMBL2172278,1 3,2 0.246,3 1.015,4 2,5 8.03,6 364.904,7 364.904,8 364.904,9 364.904,10 364.904,11 364.904,12 4.504,13 0.235,14 3.36,15 507.19,16 150.304,17 9,18 0.937,19 3.39,20 3.157,21 86.914,22 1.198,23 5.477,24 10,25 1,26 0.627,27 6,28 8,29 1.882,30 6.294,31 3.53,32 26,33 0.272,34 4.834,35 0.38,36 2.459,37 3.616,38 1.286,39 270.735,40 1.983,41 8.679,42 4.327,43 21.743,44 4.249,45 27.046,46 4.292,47 4.338,48 56.857,49 0.615,50 4.289,51 0.5,52 3.594,53 13.299,54 45.2,55 1.787,56 0.192,57 0.588,58 0.603,59 1.116,60 1,61 6.598,63 0.263,64 0.965,65 3,66 3,67 1.799,68 2.139,69 2.139,70 4,72 0.5,73 0.33,75 0.581,76 4.96,77 4.298,78 0.63,79 1.48,80 1,81 7.666,82 0.901,83 0.13,84 6.403,85 0.5,86 3.699,87 3.98,88 52.5,89 2.261,90 2.261,91 16.769,92 6,93 1.47,94 1.562,95 1.562,96 1.684,97 136.378,98 201.408,99 21,100 6.454,101 170.038,102 2.495,104 1,105 242.33,106 3.313,107 42.699,108 0.597,109 4.257,110 33.202,111 3.247,112 1.646,113 7.204,114 1.757,115 6.235,116 6.235,117 232.151,118 2.583,119 1,120 244.107,121 1.704,122 14,123 4.299,124 10,125 15.479,126 12.086,127 1,128 1.415,129 42.699,130 -2.05,131 3.931,132 3.931,133 1.083,134 1.293,136 1.969,137 6.429}
{0 CHEMBL2172279,1 3,2 0.254,3 1.117,4 2,5 9.189,6 411.989,7 411.989,8 411.989,9 411.989,10 411.989,11 411.989,12 4.653,13 0.219,14 3.508,15 533,16 169.561,17 8,18 0.937,19 3.52,20 3.152,21 90.455,22 1.205,23 5.831,24 8,25 1,26 0.626,27 6,28 12,29 1.982,30 6.341,31 3.602,32 28,33 0.26,34 4.949,35 0.432,36 2.609,37 3.689,38 1.232,39 353.133,40 2.111,41 10.547,42 4.356,43 21.974,44 4.362,45 27.046,46 4.362,47 4.379,48 56.857,49 0.606,50 4.395,51 0.5,52 3.594,53 13.937,54 47.4,55 1.808,56 0.192,57 0.588,58 0.585,59 1.13,60 1,61 6.599,62 9,63 0.251,64 0.91,65 3,66 4,67 1.799,68 2.183,69 2.183,70 3,72 0.5,73 0.33,75 0.566,76 4.875,77 4.338,78 0.63,79 1.48,80 1,81 7.329,82 0.894,83 0.068,84 6.634,85 0.5,86 3.762,87 3.998,88 53.5,89 2.266,90 2.266,91 18.142,92 6,93 1.646,94 1.673,95 1.673,96 1.68,97 147.378,98 190.408,99 19,100 6.58,101 185.019,102 2.663,104 1,105 231.33,106 3.264,107 42.699,108 1.136,109 4.414,110 34.813,111 3.249,112 1.633,113 7.287,114 1.757,115 6.49,116 6.49,117 238.387,118 2.871,119 1,120 233.107,121 1.708,122 13,123 4.356,124 12,125 14.577,126 11.469,127 1,128 1.415,129 42.699,130 -2.3,131 4.284,132 4.284,133 1.038,134 1.293,136 2.182,137 6.616}
{0 CHEMBL2172280,1 5,2 0.257,3 1.023,4 4,5 8.294,6 364.904,7 364.904,8 364.904,9 364.904,10 364.904,11 364.904,12 4.527,13 0.225,14 3.509,15 503.34,16 133.734,17 10,18 0.937,19 3.521,20 3.157,21 72.874,22 1.198,23 5.339,24 8,25 1,26 0.635,27 6,28 11,29 1.882,30 6.316,31 3.604,32 27,33 0.269,34 4.784,35 2.255,36 2.404,37 3.692,38 1.315,39 306.049,40 2.056,41 9.614,42 4.325,43 21.991,44 4.272,45 28.145,46 4.296,47 4.342,48 56.857,49 0.619,50 4.299,51 0.5,52 3.594,53 13.619,54 45.2,55 1.798,56 0.188,57 0.588,58 0.612,59 1.074,60 1,61 6.557,62 4,63 0.258,64 0.91,65 3,66 4,67 1.714,68 2.18,69 2.18,70 3,72 0.5,73 0.33,75 0.588,76 5.059,77 4.286,78 0.63,79 1.47,80 1,81 7.612,82 0.922,83 0.068,84 6.598,85 0.5,86 3.766,87 3.998,88 53.5,89 2.266,90 2.266,91 17.19,92 6,93 1.724,94 1.725,95 1.725,96 1.654,97 125.972,98 190.408,99 19,100 6.462,101 180.524,102 2.729,104 1,105 231.33,106 3.257,107 42.699,108 0.753,109 4.394,110 33.6,111 3.248,112 1.592,113 7.27,114 1.751,115 6.486,116 6.486,117 236.387,118 2.869,119 1,120 233.107,121 1.691,122 13,123 4.355,124 11,125 13.883,126 10.314,127 1,128 1.415,129 42.699,130 -2.13,131 4.349,132 4.349,133 1.138,134 1.293,136 2.182,137 6.604}
{0 CHEMBL2172281,1 6,2 0.263,3 1.053,4 5,5 8.828,6 388.446,7 388.446,8 388.446,9 388.446,10 388.446,11 388.446,12 4.602,13 0.219,14 3.509,15 520.64,16 139.666,17 11,18 0.937,19 3.521,20 3.172,21 75.763,22 1.293,23 5.339,24 9,25 1,26 0.633,27 6,28 11,29 1.982,30 6.345,31 3.605,32 28,33 0.263,34 5.016,35 3.274,36 2.513,37 3.692,38 1.312,39 329.591,40 2.105,41 9.968,42 4.353,43 22.491,44 4.315,45 28.838,46 4.331,47 4.372,48 56.857,49 0.615,50 4.34,51 0.5,52 3.594,53 14.435,54 46.1,55 1.768,56 0.186,57 0.588,58 0.598,59 1.086,60 1,61 6.592,62 6,63 0.254,64 0.91,65 3,66 4,67 1.799,68 2.179,69 2.179,70 3,72 0.5,73 0.33,75 0.576,76 5.05,77 4.318,78 0.63,79 1.48,80 1,81 7.496,82 0.921,83 0.068,84 6.748,85 0.5,86 3.767,87 4.016,88 54.5,89 2.266,90 2.266,91 17.543,92 6,93 1.762,94 1.754,95 1.754,96 1.69,97 128.506,98 190.408,99 19,100 6.496,101 181.359,102 2.763,104 1,105 231.33,106 3.331,107 42.699,108 1.136,109 4.362,110 33.6,111 3.248,112 1.643,113 7.321,114 1.757,115 6.485,116 6.485,117 240.387,118 2.856,119 1,120 233.107,121 1.715,122 13,123 4.373,124 11,125 14.577,126 10.913,127 1,128 1.415,129 42.699,130 -2.3,131 4.311,132 4.311,133 1.145,134 1.496,136 2.182,137 6.241}
{0 CHEMBL2172282,1 3,2 0.237,3 0.972,4 2,5 7.165,6 306.049,7 306.049,8 306.049,9 306.049,10 306.049,11 306.049,12 4.364,13 0.242,14 3.296,15 474.8,16 139.535,17 8,18 0.825,19 3.331,20 3.141,21 80.044,22 1.198,23 5.292,24 7,25 1,26 0.63,27 6,28 8,29 1.882,30 6.233,31 3.483,32 24,33 0.283,34 4.702,35 0.162,36 2.174,37 3.56,38 1.31,39 247.193,40 1.922,41 8.34,42 4.278,43 20.562,44 4.202,45 25.66,46 4.237,47 4.287,48 56.857,49 0.62,50 4.235,51 0.5,52 3.578,53 12.603,54 44.1,55 1.816,56 0.197,57 0.588,58 0.643,59 1.061,60 1,61 6.536,63 0.272,64 0.878,65 4,66 3,67 1.686,68 2.095,69 2.095,70 4,72 0.5,73 0.33,75 0.618,76 5.043,77 4.253,78 0.63,79 1.437,80 1,81 7.803,82 0.912,83 0.068,84 6.132,85 0.5,86 3.697,87 3.942,88 50.5,89 2.249,90 2.249,91 16.269,92 6,93 1.467,94 1.561,95 1.561,96 1.655,97 120.474,98 190.408,99 19,100 6.396,101 164.66,102 2.49,104 1,105 264.227,106 3.222,107 75.596,108 0.002,109 4.254,110 31.298,111 3.241,112 1.579,113 7.169,114 1.756,115 6.135,116 6.135,117 221.525,118 2.583,119 1,120 266.004,121 1.693,122 12,123 4.253,124 9,125 14.02,126 10.795,127 1,128 1.402,129 75.596,130 -1.35,131 3.926,132 3.926,133 1.109,134 1.293,136 1.968,137 5.565}
{0 CHEMBL2172283,1 3,2 0.254,3 1.085,4 2,5 9.256,6 423.76,7 423.76,8 423.76,9 423.76,10 423.76,11 423.76,12 4.669,13 0.226,14 3.504,15 544,16 166.901,17 10,18 0.937,19 3.516,20 3.16,21 94.053,22 1.198,23 5.745,24 11,25 1,26 0.623,27 6,28 8,29 1.924,30 6.363,31 3.599,32 28,33 0.261,34 4.916,35 1.438,36 2.736,37 3.688,38 1.288,39 294.278,40 2.167,41 9.44,42 4.412,43 22.548,44 4.35,45 28.145,46 4.404,47 4.45,48 56.857,49 0.603,50 4.423,51 0.5,52 3.594,53 14.334,54 47.5,55 1.77,56 0.188,57 0.588,58 0.567,59 1.152,60 1,61 6.687,63 0.253,64 0.933,65 3,66 3,67 1.799,68 2.173,69 2.173,70 4,72 0.5,73 0.33,75 0.549,76 4.849,77 4.341,78 0.63,79 1.48,80 1,81 7.334,82 0.904,83 0.13,84 6.707,85 0.5,86 3.746,87 4.016,88 54.5,89 2.265,90 2.265,91 17.429,92 6,93 1.537,94 1.624,95 1.624,96 1.687,97 142.336,98 190.408,99 23,100 6.558,101 179.757,102 2.578,104 1,105 234.454,106 3.348,107 45.823,108 0.587,109 4.273,110 36.634,111 3.248,112 1.725,113 7.263,114 1.757,115 6.483,116 6.483,117 240.913,118 2.626,119 2,120 236.231,121 1.711,122 14,123 4.366,124 10,125 16.368,126 12.941,127 1,128 1.415,129 45.823,130 -2.04,131 3.98,132 3.98,133 1.066,134 1.293,136 2.182,137 5.301}
{0 CHEMBL2172284,1 5,2 0.254,3 1.064,4 3,5 8.809,6 388.446,7 388.446,8 388.446,9 388.446,10 388.446,11 388.446,12 4.617,13 0.226,14 3.509,15 540.43,16 155.871,17 11,18 0.993,19 3.521,20 3.199,21 81.717,22 1.198,23 5.385,24 10,25 1,26 0.627,27 6,28 8,29 1.882,30 6.373,31 3.605,32 28,33 0.268,34 5.101,35 1.354,36 2.522,37 3.693,38 1.308,39 306.049,40 2.123,41 10.156,42 4.386,43 23.735,44 4.37,45 29.937,46 4.377,47 4.398,48 99.541,49 0.613,50 4.386,51 0.5,52 3.594,53 15.021,54 45.6,55 1.781,56 0.183,57 0.588,58 0.6,59 1.094,60 2,61 6.685,63 0.258,64 0.933,65 4,66 3,67 1.799,68 2.23,69 2.23,70 4,72 0.5,73 0.33,75 0.579,76 5.088,77 4.402,78 0.63,79 1.493,80 1,81 7.604,82 0.902,83 0.13,84 7.094,85 0.5,86 3.767,87 4.052,88 56.5,89 2.271,90 2.271,91 18.531,92 6,93 1.884,94 1.981,95 1.981,96 1.757,97 127.22,98 233.091,99 24,100 6.557,101 193.045,102 2.941,104 1,105 277.138,106 3.371,107 45.823,108 0.004,109 4.629,110 37.022,111 3.249,112 1.748,113 7.327,114 1.777,115 6.491,116 6.491,117 255.016,118 2.715,119 2,120 278.914,121 1.743,122 12,123 4.35,124 10,125 15.406,126 11.671,127 1,128 1.46,129 45.823,130 -1.45,131 5.061,132 5.061,133 1.102,134 1.293,136 2.183,137 6.338}
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{0 CHEMBL569722,1 8,2 0.281,3 1.18,4 7,5 11.739,6 517.928,7 517.928,8 517.928,9 517.928,10 517.928,11 517.928,12 4.975,13 0.204,14 3.555,15 611.56,16 153.095,17 15,18 1.115,19 3.55,20 3.205,21 91.088,22 1.306,23 5.385,24 10,25 1,26 0.624,27 6,28 13,29 1.998,30 6.681,31 3.595,32 33,33 0.239,34 4.985,35 8.344,36 3.036,37 3.703,38 1.197,39 414.316,40 2.697,41 11.881,42 4.56,43 25.092,44 4.54,45 32.304,46 4.551,47 4.623,48 74.868,49 0.591,50 4.627,51 0.5,52 3.548,53 15.603,54 50.5,55 1.721,56 0.176,57 0.4,58 0.536,59 1.154,60 1,61 6.689,62 7,63 0.232,64 0.655,65 4,66 2,67 1.88,68 2.253,69 2.253,70 3,72 0.5,73 0.33,74 1,75 0.521,76 4.99,77 4.418,78 0.63,79 1.625,80 1,81 6.859,82 0.923,83 0.068,84 7.365,85 0.5,86 3.758,87 4.094,88 59,89 2.379,90 2.379,91 19.26,92 6,93 1.792,94 1.834,95 1.834,96 1.804,97 138.833,98 154.263,99 26,100 6.585,101 195.76,102 2.813,104 1,105 233.228,106 3.556,107 78.966,108 5.874,109 4.59,110 35.069,111 3.354,112 1.764,113 7.362,114 1.886,115 6.891,116 6.891,117 257.516,118 2.621,119 1,120 233.228,121 1.811,122 15,123 9.196,124 8,125 18.175,126 14.062,127 1,128 1.577,129 78.966,130 -3.45,131 4.773,132 4.773,133 1.088,134 1.451,136 2.062,137 5.886}
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{0 CHEMBL569742,1 10,2 0.284,3 1.222,4 7,5 12.255,6 541.471,7 541.471,8 541.471,9 541.471,10 541.471,11 541.471,12 5.034,13 0.198,14 3.568,15 628.86,16 160.313,17 14,18 1.095,19 3.557,20 3.377,21 94.277,22 1.306,23 5.568,24 11,25 1,26 0.622,27 6,28 11,29 1.998,30 6.698,31 3.61,32 34,33 0.236,34 5.172,35 7.634,36 3.101,37 3.713,38 1.273,39 379.003,40 2.719,41 12.469,42 4.575,43 25.645,44 4.567,45 32.709,46 4.578,47 4.656,48 56.857,49 0.589,50 4.665,51 0.5,52 3.545,53 15.911,54 51,55 1.723,56 0.175,57 0.4,58 0.529,59 1.163,60 3,61 6.719,62 7,63 0.229,64 0.655,65 3,66 3,67 1.884,68 2.258,69 2.258,70 3,72 0.5,73 0.33,74 1,75 0.515,76 4.93,77 4.449,78 0.63,79 1.641,80 1,81 6.791,82 0.918,83 0.068,84 7.531,85 0.5,86 3.771,87 4.111,88 60,89 2.465,90 2.465,91 20.057,92 6,93 1.888,94 1.977,95 1.977,96 1.835,97 145.981,98 154.263,99 23,100 6.62,101 201.687,102 2.94,104 1,105 233.228,106 3.584,107 78.966,108 6.796,109 4.629,110 39.812,111 3.415,112 1.858,113 7.39,114 1.892,115 7.41,116 7.41,117 264.515,118 2.629,119 1,120 233.228,121 1.832,122 15,123 9.266,124 11,125 18.328,126 14.262,127 1,128 1.589,129 78.966,130 -3.61,131 5.063,132 5.063,133 1.123,134 1.418,136 2.175,137 5.432}
{0 CHEMBL569764,1 8,2 0.28,3 1.141,4 7,5 11.052,6 482.615,7 482.615,8 482.615,9 482.615,10 482.615,11 482.615,12 4.892,13 0.205,14 3.568,15 592.05,16 150.807,17 15,18 1.091,19 3.557,20 3.185,21 87.914,22 1.306,23 5.339,24 11,25 1,26 0.626,27 6,28 11,29 1.998,30 6.564,31 3.608,32 32,33 0.245,34 4.836,35 8.032,36 2.916,37 3.712,38 1.233,39 379.003,40 2.386,41 11.378,42 4.454,43 24.691,44 4.477,45 31.898,46 4.451,47 4.489,48 74.868,49 0.597,50 4.506,51 0.5,52 3.547,53 15.118,54 49.4,55 1.724,56 0.177,57 0.4,58 0.55,59 1.132,60 1,61 6.658,62 7,63 0.237,64 0.655,65 3,66 5,67 1.882,68 2.223,69 2.223,70 3,72 0.5,73 0.33,74 1,75 0.533,76 4.958,77 4.396,78 0.63,79 1.634,80 1,81 7.02,82 0.921,83 0.068,84 7.239,85 0.5,86 3.77,87 4.078,88 58,89 2.291,90 2.291,91 18.878,92 6,93 1.718,94 1.786,95 1.786,96 1.809,97 135.41,98 165.263,99 23,100 6.562,101 188.519,102 2.747,104 1,105 241.104,106 3.529,107 75.841,108 5.01,109 4.425,110 32.363,111 3.256,112 1.761,113 7.322,114 1.89,115 6.647,116 6.647,117 253.033,118 2.612,119 1,120 241.104,121 1.818,122 15,123 9.014,124 9,125 18.028,126 13.866,127 1,128 1.587,129 75.841,130 -3.29,131 4.405,132 4.405,133 1.136,134 1.427,136 2.016,137 5.77}
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{0 CHEMBL589927,1 7,2 0.278,3 1.218,4 6,5 13.159,6 600.326,7 600.326,8 600.326,9 600.326,10 600.326,11 600.326,12 5.146,13 0.204,14 3.566,15 663.46,16 165.145,17 17,18 1.185,19 3.555,20 3.421,21 100.863,22 1.306,23 5.745,24 12,25 1,26 0.62,27 7,28 10,29 1.998,30 6.827,31 3.607,32 36,33 0.229,34 5.247,35 10.562,36 3.364,37 3.715,38 1.17,39 529.7,40 3.009,41 13.04,42 4.651,43 26.776,44 4.624,45 34.096,46 4.644,47 4.741,48 66.334,49 0.584,50 4.747,51 0.5,52 3.548,53 16.3,54 52,55 1.706,56 0.171,57 0.655,58 0.496,59 1.195,60 1,61 6.729,62 7,63 0.223,64 0.8,65 3,66 4,67 1.906,68 2.255,69 2.255,70 3,72 0.5,73 0.5,75 0.483,76 4.772,77 4.472,78 0.63,79 1.655,80 1,81 6.666,82 0.923,83 0.13,84 7.755,85 0.5,86 3.769,87 4.143,88 62,89 2.399,90 2.399,91 20.796,92 7,93 1.924,94 2.033,95 2.033,96 1.878,97 161.346,98 154.263,99 36,100 6.64,101 206.936,102 2.99,103 0.5,104 2,105 204.681,106 3.638,107 50.418,108 1.804,109 4.635,110 39.27,111 3.332,112 1.878,113 7.414,114 1.904,115 6.909,116 6.909,117 271.794,118 2.627,119 1,120 204.681,121 1.871,122 17,123 4.703,124 14,125 19.825,126 15.604,127 1,128 1.597,129 50.418,130 -2.53,131 5.083,132 5.083,133 1.006,134 1.348,136 2.194,137 8.076}
{0 CHEMBL589930,1 6,2 0.265,3 1.144,4 5,5 11.077,6 494.386,7 494.386,8 494.386,9 494.386,10 494.386,11 494.386,12 4.909,13 0.217,14 3.55,15 606.71,16 159.967,17 14,18 1.121,19 3.548,20 3.207,21 91.089,22 1.297,23 5.477,24 12,25 1,26 0.63,27 7,28 10,29 1.979,30 6.703,31 3.603,32 33,33 0.244,34 4.942,35 6.022,36 3.049,37 3.705,38 1.233,39 447.302,40 2.652,41 11.547,42 4.557,43 25.028,44 4.535,45 32.016,46 4.557,47 4.626,48 66.334,49 0.602,50 4.627,51 0.5,52 3.593,53 15.774,54 48.9,55 1.76,56 0.177,57 0.588,58 0.53,59 1.131,60 1,61 6.706,62 7,63 0.236,64 0.8,65 3,66 4,67 1.882,68 2.255,69 2.255,70 4,72 0.5,73 0.33,75 0.514,76 4.737,77 4.429,78 0.63,79 1.635,80 1,81 7.076,82 0.925,83 0.13,84 7.415,85 0.5,86 3.759,87 4.111,88 60,89 2.532,90 2.532,91 19.609,92 7,93 1.812,94 1.847,95 1.847,96 1.807,97 151.337,98 179.408,99 26,100 6.611,101 200.304,102 2.832,104 2,105 226.701,106 3.517,107 47.294,108 1.284,109 4.607,110 33.703,111 3.493,112 1.796,113 7.381,114 1.887,115 7.997,116 7.997,117 260.926,118 2.655,119 2,120 226.701,121 1.809,122 13,123 4.625,124 13,125 17.412,126 13.376,127 1,128 1.586,129 47.294,130 -2.35,131 4.823,132 4.823,133 1.057,134 1.306,136 2.188,137 7.658}
{0 CHEMBL589961,1 7,2 0.288,3 1.258,4 6,5 13.108,6 588.555,7 588.555,8 588.555,9 588.555,10 588.555,11 588.555,12 5.136,13 0.196,14 3.532,15 652.46,16 162.499,17 16,18 1.154,19 3.537,20 3.431,21 97.473,22 1.294,23 5.657,24 11,25 1,26 0.623,27 7,28 12,29 1.985,30 6.826,31 3.611,32 36,33 0.227,34 5.043,35 9.83,36 3.323,37 3.708,38 1.233,39 411.989,40 3.138,41 12.617,42 4.687,43 25.981,44 4.622,45 33.402,46 4.659,47 4.786,48 66.334,49 0.585,50 4.757,51 0.5,52 3.548,53 16.478,54 52,55 1.714,56 0.173,57 0.588,58 0.5,59 1.179,60 1,61 6.742,62 5,63 0.221,64 0.8,65 3,66 10,67 1.91,68 2.257,69 2.257,70 3,72 0.5,73 0.5,75 0.487,76 4.792,77 4.456,78 0.63,79 1.649,80 1,81 6.649,82 0.921,83 0.068,84 7.64,85 0.5,86 3.772,87 4.127,88 61,89 2.531,90 2.531,91 20.036,92 7,93 1.919,94 2.022,95 2.022,96 1.872,97 160.098,98 154.263,99 28,100 6.639,101 205.293,102 2.981,103 0.5,104 2,105 201.556,106 3.552,107 47.294,108 4.219,109 4.635,110 38.423,111 3.478,112 1.88,113 7.409,114 1.897,115 7.535,116 7.535,117 266.378,118 2.649,119 1,120 201.556,121 1.854,122 16,123 4.71,124 10,125 19.112,126 14.979,127 1,128 1.586,129 47.294,130 -3.14,131 5.082,132 5.082,133 1.074,134 1.464,136 2.186,137 8.125}
{0 CHEMBL589971,1 8,2 0.292,3 1.277,4 7,5 13.62,6 612.097,7 612.097,8 612.097,9 612.097,10 612.097,11 612.097,12 5.19,13 0.192,14 3.57,15 669.76,16 168.609,17 17,18 1.154,19 3.559,20 3.432,21 100.836,22 1.306,23 5.745,24 11,25 1,26 0.622,27 7,28 12,29 1.998,30 6.848,31 3.612,32 37,33 0.224,34 5.207,35 10.974,36 3.398,37 3.717,38 1.24,39 435.531,40 3.191,41 12.97,42 4.707,43 26.481,44 4.644,45 34.096,46 4.681,47 4.808,48 66.334,49 0.583,50 4.783,51 0.5,52 3.548,53 16.728,54 52.4,55 1.702,56 0.171,57 0.588,58 0.492,59 1.186,60 1,61 6.759,62 7,63 0.218,64 0.8,65 3,66 10,67 1.91,68 2.257,69 2.257,70 3,72 0.5,73 0.5,75 0.48,76 4.793,77 4.472,78 0.63,79 1.654,80 1,81 6.592,82 0.92,83 0.068,84 7.787,85 0.5,86 3.774,87 4.143,88 62,89 2.531,90 2.531,91 20.389,92 7,93 1.92,94 2.023,95 2.023,96 1.876,97 162.632,98 154.263,99 28,100 6.654,101 207.642,102 2.982,103 0.5,104 2,105 201.556,106 3.597,107 47.294,108 4.978,109 4.635,110 38.423,111 3.478,112 1.881,113 7.421,114 1.903,115 7.535,116 7.535,117 270.378,118 2.649,119 1,120 201.556,121 1.866,122 17,123 4.716,124 10,125 19.855,126 15.642,127 1,128 1.597,129 47.294,130 -3.29,131 5.082,132 5.082,133 1.086,134 1.464,136 2.187,137 8.398}
{0 CHEMBL590001,1 9,2 0.285,3 1.211,4 8,5 12.432,6 553.242,7 553.242,8 553.242,9 553.242,10 553.242,11 553.242,12 5.062,13 0.199,14 3.57,15 632.95,16 159.268,17 16,18 1.14,19 3.558,20 3.243,21 94.288,22 1.306,23 5.477,24 14,25 1,26 0.625,27 7,28 12,29 1.998,30 6.771,31 3.603,32 35,33 0.231,34 5.214,35 9.414,36 3.168,37 3.71,38 1.212,39 435.531,40 2.832,41 12.266,42 4.611,43 25.607,44 4.581,45 32.997,46 4.599,47 4.687,48 66.334,49 0.591,50 4.69,51 0.5,52 3.548,53 15.872,54 51,55 1.713,56 0.174,57 0.588,58 0.519,59 1.159,60 1,61 6.707,62 8,63 0.225,64 0.8,65 3,66 6,67 1.885,68 2.253,69 2.253,70 3,72 0.5,73 0.33,75 0.505,76 4.957,77 4.428,78 0.63,79 1.648,80 1,81 6.791,82 0.919,83 0.068,84 7.496,85 0.5,86 3.766,87 4.111,88 60,89 2.384,90 2.384,91 19.613,92 7,93 1.794,94 1.835,95 1.835,96 1.826,97 156.675,98 165.263,99 27,100 6.605,101 198.436,102 2.815,104 2,105 209.432,106 3.568,107 44.169,108 3.516,109 4.591,110 33.56,111 3.367,112 1.828,113 7.375,114 1.89,115 6.904,116 6.904,117 260.511,118 2.639,119 1,120 209.432,121 1.821,122 16,123 4.685,124 10,125 18.966,126 14.784,127 1,128 1.595,129 44.169,130 -2.98,131 4.775,132 4.775,133 1.075,134 1.473,136 2.118,137 7.959}
{0 CHEMBL590002,1 11,2 0.299,3 1.267,4 10,5 13.829,6 612.097,7 612.097,8 612.097,9 612.097,10 612.097,11 612.097,12 5.204,13 0.187,14 3.599,15 674.7,16 150.344,17 20,18 1.2,19 3.596,20 3.508,21 90.151,22 1.306,23 5.431,24 16,25 1,26 0.625,27 7,28 12,29 1.998,30 6.873,31 3.647,32 38,33 0.223,34 5.044,35 15.414,36 3.445,37 3.753,38 1.252,39 447.302,40 3.139,41 13.822,42 4.682,43 27.605,44 4.666,45 36.175,46 4.667,47 4.774,48 66.334,49 0.587,50 4.775,51 0.5,52 3.548,53 17.364,54 51.9,55 1.705,56 0.166,57 0.588,58 0.486,59 1.159,60 1,61 6.733,62 8,63 0.217,64 0.8,65 3,66 8,67 1.886,68 2.33,69 2.33,70 3,72 0.5,73 0.5,75 0.473,76 4.693,77 4.511,78 0.5,79 1.65,80 1,81 6.644,82 0.935,83 0.068,84 8.076,85 0.5,86 3.815,87 4.174,88 64,89 2.552,90 2.552,91 21.199,92 7,93 1.929,94 2.033,95 2.033,96 1.842,97 152.585,98 154.263,99 28,100 6.644,101 216.862,102 2.992,103 0.5,104 2,105 201.556,106 3.652,107 47.294,108 5.79,109 4.636,110 38.423,111 3.491,112 1.86,113 7.459,114 1.892,115 7.178,116 7.178,117 280.378,118 2.642,119 1,120 201.556,121 1.837,122 16,123 4.729,124 10,125 19.424,126 14.78,127 1,128 1.596,129 47.294,130 -3.44,131 5.085,132 5.085,133 1.114,134 1.48,136 2.192,137 8.097}
{0 CHEMBL590003,1 8,2 0.274,3 1.171,4 7,5 11.615,6 506.157,7 506.157,8 506.157,9 506.157,10 506.157,11 506.157,12 4.97,13 0.209,14 3.57,15 624.01,16 171.051,17 14,18 1.131,19 3.558,20 3.204,21 94.282,22 1.306,23 5.568,24 11,25 1,26 0.628,27 7,28 12,29 1.998,30 6.741,31 3.609,32 34,33 0.24,34 5.214,35 6.331,36 3.019,37 3.71,38 1.218,39 411.989,40 2.782,41 11.93,42 4.593,43 25.341,44 4.569,45 32.709,46 4.584,47 4.663,48 66.334,49 0.599,50 4.651,51 0.5,52 3.593,53 16.28,54 49.5,55 1.743,56 0.175,57 0.588,58 0.538,59 1.124,60 1,61 6.723,62 7,63 0.233,64 0.8,65 3,66 6,67 1.884,68 2.255,69 2.255,70 4,72 0.5,73 0.33,75 0.522,76 4.991,77 4.441,78 0.63,79 1.645,80 1,81 6.998,82 0.924,83 0.13,84 7.594,85 0.5,86 3.766,87 4.127,88 61,89 2.549,90 2.549,91 19.751,92 7,93 1.819,94 1.855,95 1.855,96 1.817,97 151.766,98 179.408,99 25,100 6.659,101 202.84,102 2.84,104 2,105 241.588,106 3.57,107 62.18,108 1.733,109 4.613,110 36.428,111 3.517,112 1.81,113 7.397,114 1.889,115 8.161,116 8.161,117 263.899,118 2.798,119 1,120 241.588,121 1.818,122 14,123 4.638,124 10,125 18.138,126 14.016,127 1,128 1.594,129 62.18,130 -2.51,131 4.853,132 4.853,133 1.086,134 1.415,136 2.163,137 8.102}
{0 CHEMBL590004,1 7,2 0.268,3 1.175,4 6,5 11.599,6 517.928,7 517.928,8 517.928,9 517.928,10 517.928,11 517.928,12 4.97,13 0.212,14 3.532,15 624.01,16 171.543,17 13,18 1.132,19 3.536,20 3.282,21 94.214,22 1.294,23 5.657,24 11,25 1,26 0.628,27 7,28 12,29 1.985,30 6.759,31 3.611,32 34,33 0.24,34 5.172,35 5.235,36 3.062,37 3.7,38 1.157,39 423.76,40 2.874,41 12.195,42 4.613,43 25.46,44 4.58,45 32.422,46 4.598,47 4.683,48 66.334,49 0.599,50 4.664,51 0.5,52 3.593,53 16.377,54 49.5,55 1.763,56 0.176,57 0.588,58 0.532,59 1.14,60 1,61 6.724,62 5,63 0.233,64 0.8,65 3,66 6,67 1.883,68 2.256,69 2.256,70 4,72 0.5,73 0.33,75 0.516,76 4.981,77 4.451,78 0.63,79 1.642,80 1,81 6.998,82 0.921,83 0.13,84 7.596,85 0.5,86 3.767,87 4.127,88 61,89 2.574,90 2.574,91 20.115,92 7,93 1.884,94 1.966,95 1.966,96 1.83,97 157.628,98 179.408,99 28,100 6.688,101 207.547,102 2.93,104 2,105 226.701,106 3.494,107 47.294,108 1.733,109 4.634,110 37.054,111 3.543,112 1.82,113 7.415,114 1.882,115 8.198,116 8.198,117 266.26,118 2.86,119 2,120 226.701,121 1.829,122 13,123 4.646,124 11,125 17.58,126 13.585,127 1,128 1.584,129 47.294,130 -2.51,131 5.071,132 5.071,133 1.013,134 1.417,136 2.183,137 8.585}
{0 CHEMBL590005,1 6,2 0.27,3 1.107,4 5,5 10.54,6 459.073,7 459.073,8 459.073,9 459.073,10 459.073,11 459.073,12 4.836,13 0.215,14 3.522,15 565.96,16 134.891,17 14,18 1.117,19 3.525,20 3.19,21 81.833,22 1.292,23 5.148,24 10,25 1,26 0.629,27 7,28 10,29 1.978,30 6.602,31 3.56,32 31,33 0.245,34 4.618,35 7.151,36 2.918,37 3.696,38 1.248,39 411.989,40 2.506,41 10.791,42 4.489,43 23.581,44 4.459,45 30.512,46 4.468,47 4.547,48 84.344,49 0.599,50 4.537,51 0.5,52 3.548,53 14.665,54 49.4,55 1.745,56 0.181,57 0.4,58 0.545,59 1.118,60 1,61 6.611,62 7,63 0.238,64 0.655,65 4,66 4,67 1.881,68 2.048,69 2.048,70 3,72 0.5,73 0.33,75 0.528,76 4.731,77 4.352,78 0.63,79 1.616,80 1,81 6.998,82 0.932,83 0.068,84 6.912,85 0.5,86 3.747,87 4.043,88 56,89 2.257,90 2.257,91 18.088,92 7,93 1.717,94 1.775,95 1.775,96 1.792,97 137.807,98 154.263,99 26,100 6.504,101 184.058,102 2.742,104 2,105 216.443,106 3.403,107 62.18,108 1.294,109 4.283,110 32.561,111 3.245,112 1.783,113 7.299,114 1.885,115 6.347,116 6.347,117 241.685,118 2.625,119 1,120 216.443,121 1.792,122 13,123 4.63,124 9,125 16.598,126 12.627,127 1,128 1.56,129 62.18,130 -2.36,131 4.072,132 4.072,133 1.086,134 1.306,136 2.011,137 8.187}
{0 CHEMBL590006,1 7,2 0.281,3 1.187,4 6,5 12.08,6 541.471,7 541.471,8 541.471,9 541.471,10 541.471,11 541.471,12 5.022,13 0.203,14 3.561,15 617.86,16 150.076,17 16,18 1.145,19 3.552,20 3.335,21 91.088,22 1.306,23 5.385,24 12,25 1,26 0.625,27 7,28 11,29 1.998,30 6.743,31 3.597,32 34,33 0.234,34 4.985,35 9.602,36 3.216,37 3.707,38 1.239,39 470.844,40 2.798,41 11.883,42 4.593,43 25.095,44 4.553,45 32.304,46 4.577,47 4.675,48 66.334,49 0.59,50 4.664,51 0.5,52 3.548,53 15.603,54 51.1,55 1.721,56 0.176,57 0.588,58 0.509,59 1.163,60 1,61 6.685,62 10,63 0.227,64 0.8,65 3,66 4,67 1.889,68 2.253,69 2.253,70 3,72 0.5,73 0.5,75 0.495,76 4.685,77 4.414,78 0.63,79 1.647,80 1,81 6.775,82 0.926,83 0.068,84 7.341,85 0.5,86 3.761,87 4.094,88 59,89 2.379,90 2.379,91 19.26,92 7,93 1.79,94 1.834,95 1.834,96 1.838,97 151.273,98 154.263,99 28,100 6.577,101 195.76,102 2.812,103 0.5,104 2,105 201.556,106 3.556,107 47.294,108 2.869,109 4.59,110 34.334,111 3.312,112 1.865,113 7.362,114 1.89,115 6.891,116 6.891,117 256.378,118 2.627,119 1,120 201.556,121 1.825,122 15,123 4.68,124 12,125 18.223,126 14.125,127 1,128 1.593,129 47.294,130 -2.83,131 4.773,132 4.773,133 1.071,134 1.337,136 2.068,137 7.538}
{0 CHEMBL590007,1 6,2 0.275,3 1.163,4 5,5 11.66,6 506.157,7 506.157,8 506.157,9 506.157,10 506.157,11 506.157,12 4.975,13 0.21,14 3.553,15 611.56,16 152.122,17 16,18 1.129,19 3.548,20 3.238,21 91.088,22 1.306,23 5.385,24 12,25 1,26 0.624,27 7,28 10,29 1.992,30 6.729,31 3.595,32 33,33 0.239,34 4.985,35 8.545,36 3.077,37 3.705,38 1.241,39 459.073,40 2.735,41 11.671,42 4.58,43 25.127,44 4.545,45 32.304,46 4.569,47 4.655,48 66.334,49 0.591,50 4.652,51 0.5,52 3.548,53 15.603,54 50.5,55 1.721,56 0.176,57 0.588,58 0.529,59 1.141,60 1,61 6.698,62 7,63 0.232,64 0.8,65 4,66 4,67 1.883,68 2.253,69 2.253,70 3,72 0.5,73 0.33,75 0.515,76 4.713,77 4.416,78 0.63,79 1.641,80 1,81 6.859,82 0.931,83 0.068,84 7.354,85 0.5,86 3.76,87 4.094,88 59,89 2.379,90 2.379,91 19.26,92 7,93 1.789,94 1.834,95 1.834,96 1.823,97 142.019,98 154.263,99 30,100 6.58,101 195.76,102 2.812,104 2,105 234.454,106 3.556,107 80.191,108 0.64,109 4.59,110 33.871,111 3.311,112 1.819,113 7.362,114 1.889,115 6.891,116 6.891,117 257.072,118 2.627,119 1,120 234.454,121 1.819,122 15,123 4.663,124 11,125 18.194,126 14.087,127 1,128 1.588,129 80.191,130 -2.07,131 4.773,132 4.773,133 1.075,134 1.326,136 2.069,137 8.347}
{0 CHEMBL590008,1 6,2 0.264,3 1.143,4 5,5 11.173,6 482.615,7 482.615,8 482.615,9 482.615,10 482.615,11 482.615,12 4.923,13 0.217,14 3.553,15 617.71,16 165.982,17 15,18 1.124,19 3.549,20 3.233,21 94.284,22 1.306,23 5.568,24 14,25 1,26 0.627,27 7,28 10,29 1.983,30 6.728,31 3.604,32 33,33 0.245,34 5.172,35 6.331,36 2.928,37 3.706,38 1.241,39 435.531,40 2.716,41 11.784,42 4.586,43 25.578,44 4.549,45 32.709,46 4.573,47 4.645,48 66.334,49 0.6,50 4.646,51 0.5,52 3.556,53 15.711,54 48.9,55 1.744,56 0.175,57 0.655,58 0.551,59 1.117,60 1,61 6.742,62 7,63 0.238,64 0.809,65 4,66 4,67 1.882,68 2.255,69 2.255,70 4,72 0.5,73 0.33,75 0.534,76 4.908,77 4.446,78 0.63,79 1.638,80 1,81 7.085,82 0.929,83 0.13,84 7.57,85 0.5,86 3.761,87 4.127,88 61,89 2.466,90 2.466,91 20.101,92 7,93 1.894,94 1.939,95 1.939,96 1.813,97 144.617,98 179.408,99 28,100 6.602,101 201.731,102 2.932,104 2,105 259.599,106 3.57,107 80.191,108 0.183,109 4.61,110 34.548,111 3.425,112 1.799,113 7.39,114 1.888,115 7.182,116 7.182,117 265.62,118 2.628,119 1,120 259.599,121 1.816,122 15,123 4.629,124 11,125 18.11,126 13.98,127 1,128 1.588,129 80.191,130 -1.75,131 4.885,132 4.885,133 1.076,134 1.314,136 2.194,137 8.77}
{0 CHEMBL590009,1 6,2 0.262,3 1.125,4 5,5 10.649,6 459.073,7 459.073,8 459.073,9 459.073,10 459.073,11 459.073,12 4.861,13 0.219,14 3.539,15 600.41,16 161.324,17 14,18 1.12,19 3.542,20 3.192,21 91.089,22 1.295,23 5.477,24 12,25 1,26 0.628,27 7,28 10,29 1.978,30 6.686,31 3.6,32 32,33 0.249,34 4.942,35 5.539,36 2.895,37 3.703,38 1.199,39 411.989,40 2.597,41 11.366,42 4.544,43 25.068,44 4.526,45 32.016,46 4.544,47 4.605,48 66.334,49 0.603,50 4.606,51 0.5,52 3.593,53 15.774,54 48.3,55 1.76,56 0.177,57 0.588,58 0.553,59 1.107,60 1,61 6.712,62 7,63 0.241,64 0.8,65 3,66 4,67 1.881,68 2.255,69 2.255,70 3,72 0.5,73 0.33,75 0.535,76 4.777,77 4.432,78 0.63,79 1.628,80 1,81 7.167,82 0.93,83 0.13,84 7.437,85 0.5,86 3.757,87 4.111,88 60,89 2.532,90 2.532,91 19.609,92 7,93 1.81,94 1.847,95 1.847,96 1.801,97 142.083,98 179.408,99 26,100 6.626,101 200.304,102 2.831,104 2,105 259.599,106 3.517,107 80.191,108 0.42,109 4.607,110 33.878,111 3.488,112 1.784,113 7.381,114 1.886,115 7.997,116 7.997,117 262.119,118 2.642,119 1,120 259.599,121 1.806,122 13,123 4.605,124 12,125 17.384,126 13.34,127 1,128 1.579,129 80.191,130 -1.94,131 4.823,132 4.823,133 1.064,134 1.306,136 2.188,137 8.201}
{0 CHEMBL590039,1 9,2 0.277,3 1.15,4 7,5 10.893,6 470.844,7 470.844,8 470.844,9 470.844,10 470.844,11 470.844,12 4.88,13 0.206,14 3.562,15 581.05,16 152.443,17 14,18 1.13,19 3.551,20 3.192,21 84.86,22 1.306,23 5.196,24 11,25 1,26 0.628,27 7,28 11,29 1.998,30 6.629,31 3.584,32 32,33 0.243,34 4.942,35 6.465,36 2.914,37 3.702,38 1.269,39 376.675,40 2.565,41 11.296,42 4.517,43 24.032,44 4.494,45 30.917,46 4.497,47 4.572,48 109.017,49 0.599,50 4.565,51 0.5,52 3.548,53 14.992,54 49.4,55 1.743,56 0.18,57 0.13,58 0.548,59 1.112,60 2,61 6.653,62 7,63 0.235,64 0.655,65 4,66 6,67 1.883,68 2.21,69 2.21,70 3,72 0.5,73 0.33,75 0.531,76 4.935,77 4.384,78 0.63,79 1.638,80 1,81 7.009,82 0.911,84 7.161,85 0.5,86 3.755,87 4.06,88 57,89 2.267,90 2.267,91 18.722,92 7,93 1.766,94 1.815,95 1.815,96 1.802,97 138.665,98 196.946,99 23,100 6.558,101 190.418,102 2.79,104 2,105 241.116,106 3.409,107 44.169,108 1.756,109 4.54,110 30.713,111 3.249,112 1.802,113 7.332,114 1.887,115 6.378,116 6.378,117 248.401,118 2.631,119 1,120 241.116,121 1.799,122 13,123 4.602,124 9,125 16.759,126 12.833,127 1,128 1.589,129 44.169,130 -2.52,131 4.646,132 4.646,133 1.123,134 1.378,136 2.041,137 7.796}
{0 CHEMBL590069,1 8,2 0.279,3 1.236,4 6,5 13.048,6 588.555,7 588.555,8 588.555,9 588.555,10 588.555,11 588.555,12 5.133,13 0.204,14 3.562,15 684.7,16 194.825,17 16,18 1.157,19 3.555,20 3.492,21 107.585,22 1.291,23 6.083,24 18,25 1,26 0.623,27 7,28 11,29 1.977,30 6.842,31 3.631,32 37,33 0.232,34 5.319,35 6.797,36 3.268,37 3.732,38 1.241,39 447.302,40 2.969,41 12.788,42 4.679,43 27.578,44 4.625,45 35.194,46 4.661,47 4.747,48 66.334,49 0.592,50 4.73,51 0.5,52 3.593,53 17.481,54 50.5,55 1.718,56 0.169,57 0.655,58 0.511,59 1.17,60 2,61 6.829,62 7,63 0.226,64 0.933,65 3,66 4,67 1.892,68 2.287,69 2.287,70 4,72 0.5,73 0.33,75 0.498,76 4.976,77 4.523,78 0.63,79 1.654,80 1,81 6.883,82 0.917,83 0.51,84 8.174,85 0.5,86 3.773,87 4.19,88 65,89 2.598,90 2.598,91 21.261,92 7,93 1.916,94 2.024,95 2.024,96 1.853,97 167.289,98 190.408,99 29,100 6.704,101 217.638,102 2.98,104 2,105 237.701,106 3.665,107 47.294,108 1.318,109 4.633,110 39.989,111 3.585,112 1.854,113 7.459,114 1.9,115 8.239,116 8.239,117 286.469,118 2.656,119 2,120 237.701,121 1.849,122 18,123 4.658,124 11,125 20.473,126 16.144,127 1,128 1.599,129 47.294,130 -2.37,131 5.078,132 5.078,133 1.081,134 1.306,136 2.278,137 8.456}
{0 CHEMBL590087,1 8,2 0.272,3 1.161,4 7,5 11.106,6 470.844,7 470.844,8 470.844,9 470.844,10 470.844,11 470.844,12 4.909,13 0.209,14 3.569,15 606.71,16 168.955,17 14,18 1.131,19 3.557,20 3.195,21 91.064,22 1.306,23 5.477,24 12,25 1,26 0.63,27 7,28 14,29 1.998,30 6.713,31 3.603,32 33,33 0.244,34 5.029,35 6.205,36 2.91,37 3.707,38 1.249,39 400.217,40 2.705,41 11.742,42 4.573,43 24.883,44 4.543,45 32.016,46 4.555,47 4.63,48 66.334,49 0.602,50 4.621,51 0.5,52 3.593,53 15.713,54 48.9,55 1.761,56 0.177,57 0.588,58 0.552,59 1.098,60 1,61 6.704,62 9,63 0.236,64 0.8,65 3,66 6,67 1.883,68 2.254,69 2.254,70 4,72 0.5,73 0.33,75 0.535,76 4.99,77 4.426,78 0.63,79 1.643,80 1,81 7.076,82 0.927,83 0.068,84 7.495,85 0.5,86 3.763,87 4.111,88 60,89 2.483,90 2.483,91 19.621,92 7,93 1.809,94 1.844,95 1.844,96 1.809,97 143.369,98 179.408,99 22,100 6.64,101 200.433,102 2.829,104 2,105 256.474,106 3.516,107 77.066,108 1.284,109 4.603,110 33.049,111 3.459,112 1.806,113 7.381,114 1.888,115 7.787,116 7.787,117 259.538,118 2.779,119 1,120 256.474,121 1.808,122 14,123 4.608,124 11,125 17.412,126 13.376,127 1,128 1.593,129 77.066,130 -2.35,131 4.794,132 4.794,133 1.12,134 1.411,136 2.157,137 7.77}
{0 CHEMBL590114,1 8,2 0.268,3 1.179,4 6,5 12.013,6 541.471,7 541.471,8 541.471,9 541.471,10 541.471,11 541.471,12 5.022,13 0.213,14 3.558,15 650.1,16 181.294,17 14,18 1.156,19 3.551,20 3.407,21 100.822,22 1.291,23 5.916,24 16,25 1,26 0.625,27 7,28 11,29 1.977,30 6.785,31 3.612,32 35,33 0.239,34 5.273,35 5.52,36 3.074,37 3.707,38 1.168,39 470.844,40 2.818,41 12.51,42 4.612,43 26.665,44 4.575,45 33.808,46 4.589,47 4.667,48 66.334,49 0.597,50 4.655,51 0.5,52 3.593,53 16.765,54 49.5,55 1.741,56 0.172,57 0.655,58 0.534,59 1.154,60 2,61 6.733,62 7,63 0.232,64 0.933,65 3,66 4,67 1.854,68 2.281,69 2.281,70 4,72 0.5,73 0.33,75 0.519,76 5.127,77 4.49,78 0.63,79 1.631,80 1,81 7.019,82 0.918,83 0.51,84 7.873,85 0.5,86 3.761,87 4.159,88 63,89 2.595,90 2.595,91 20.928,92 7,93 1.915,94 2.023,95 2.023,96 1.852,97 162.22,98 190.408,99 31,100 6.657,101 212.036,102 2.979,104 2,105 237.701,106 3.597,107 47.294,108 0.627,109 4.633,110 36.826,111 3.578,112 1.849,113 7.428,114 1.877,115 7.458,116 7.458,117 277.803,118 2.646,119 2,120 237.701,121 1.848,122 16,123 4.639,124 11,125 18.999,126 14.829,127 1,128 1.586,129 47.294,130 -2.06,131 5.077,132 5.077,133 1.023,134 1.306,136 2.193,137 8.301}
{0 CHEMBL590140,1 6,2 0.263,3 1.114,4 5,5 10.684,6 482.615,7 482.615,8 482.615,9 482.615,10 482.615,11 482.615,12 4.862,13 0.219,14 3.512,15 576.11,16 162.371,17 12,18 1.07,19 3.516,20 3.189,21 97.876,22 1.291,23 5.657,24 12,25 1,26 0.624,27 7,28 10,29 1.977,30 6.543,31 3.533,32 31,33 0.243,34 4.897,35 4.92,36 2.891,37 3.688,38 1.158,39 435.531,40 2.492,41 10.468,42 4.491,43 23.11,44 4.434,45 29.126,46 4.465,47 4.545,48 66.334,49 0.594,50 4.531,51 0.5,52 3.547,53 14.166,54 50,55 1.734,56 0.185,57 0.588,58 0.55,59 1.163,60 1,61 6.641,62 7,63 0.236,64 0.8,65 3,66 4,67 1.874,68 2.037,69 2.037,70 3,72 0.5,73 0.33,75 0.534,76 5.055,77 4.321,78 0.63,79 1.517,80 1,81 6.951,82 0.908,83 0.068,84 6.756,85 0.5,86 3.732,87 4.025,88 55,89 2.255,90 2.255,91 17.81,92 7,93 1.717,94 1.772,95 1.772,96 1.751,97 155.362,98 165.263,99 28,100 6.523,101 176.974,102 2.741,104 2,105 209.432,106 3.502,107 44.169,108 1.294,109 4.27,110 30.211,111 3.244,112 1.744,113 7.256,114 1.872,115 6.333,116 6.333,117 236.178,118 2.623,119 1,120 209.432,121 1.756,122 16,123 4.583,124 11,125 17.809,126 14.205,127 1,128 1.459,129 44.169,130 -2.36,131 4.072,132 4.072,133 1.001,134 1.306,136 2.02,137 8.678}
{0 CHEMBL590146,1 6,2 0.264,3 1.105,4 5,5 10.566,6 459.073,7 459.073,8 459.073,9 459.073,10 459.073,11 459.073,12 4.846,13 0.218,14 3.562,15 589.41,16 158.915,17 12,18 1.121,19 3.553,20 3.193,21 87.952,22 1.306,23 5.568,24 11,25 1,26 0.631,27 7,28 13,29 1.994,30 6.615,31 3.598,32 32,33 0.248,34 4.942,35 4.688,36 2.841,37 3.704,38 1.193,39 411.989,40 2.523,41 11.27,42 4.501,43 24.359,44 4.473,45 31.323,46 4.485,47 4.557,48 66.334,49 0.605,50 4.538,51 0.5,52 3.593,53 15.675,54 48.3,55 1.745,56 0.179,57 0.588,58 0.559,59 1.104,60 1,61 6.627,62 7,63 0.24,64 0.8,65 3,66 4,67 1.881,68 2.253,69 2.253,70 4,72 0.5,73 0.33,75 0.541,76 5.03,77 4.382,78 0.63,79 1.632,80 1,81 7.159,82 0.925,83 0.13,84 7.306,85 0.5,86 3.758,87 4.094,88 59,89 2.413,90 2.413,91 19.067,92 7,93 1.805,94 1.842,95 1.842,96 1.796,97 146.697,98 179.408,99 25,100 6.589,101 195.601,102 2.826,104 2,105 241.588,106 3.521,107 62.18,108 0.898,109 4.619,110 32.765,111 3.392,112 1.782,113 7.409,114 1.886,115 7.659,116 7.659,117 255.899,118 2.828,119 1,120 241.588,121 1.799,122 14,123 4.583,124 11,125 16.693,126 12.744,127 1,128 1.586,129 62.18,130 -2.2,131 4.829,132 4.829,133 1.064,134 1.372,136 2.16,137 8.77}
{0 CHEMBL590194,1 7,2 0.267,3 1.083,4 5,5 9.84,6 423.76,7 423.76,8 423.76,9 423.76,10 423.76,11 423.76,12 4.748,13 0.215,14 3.53,15 546.45,16 139.942,17 12,18 1.116,19 3.533,20 3.189,21 78.869,22 1.306,23 5.196,24 10,25 1,26 0.632,27 7,28 10,29 1.978,30 6.48,31 3.566,32 30,33 0.251,34 5.107,35 4.659,36 2.722,37 3.698,38 1.246,39 376.675,40 2.343,41 10.613,42 4.434,43 23.041,44 4.397,45 29.531,46 4.406,47 4.475,48 109.017,49 0.606,50 4.46,51 0.5,52 3.549,53 14.425,54 48.1,55 1.751,56 0.184,57 0.13,58 0.571,59 1.09,60 2,61 6.591,62 7,63 0.243,64 0.655,65 4,66 4,67 1.88,68 2.134,69 2.134,70 3,72 0.5,73 0.33,75 0.552,76 4.93,77 4.321,78 0.63,79 1.605,80 1,81 7.182,82 0.911,84 6.86,85 0.5,86 3.748,87 4.025,88 55,89 2.262,90 2.262,91 18.027,92 7,93 1.72,94 1.784,95 1.784,96 1.771,97 133.596,98 196.946,99 23,100 6.471,101 183.595,102 2.748,104 2,105 241.116,106 3.407,107 44.169,108 0.897,109 4.474,110 28.945,111 3.248,112 1.759,113 7.345,114 1.883,115 6.412,116 6.412,117 240.401,118 2.665,119 1,120 241.116,121 1.775,122 13,123 4.548,124 9,125 15.326,126 11.58,127 1,128 1.562,129 44.169,130 -2.2,131 4.465,132 4.465,133 1.103,134 1.317,136 2.014,137 8.602}
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{0 CHEMBL591593,1 7,2 0.268,3 1.082,4 6,5 10.014,6 435.531,7 435.531,8 435.531,9 435.531,10 435.531,11 435.531,12 4.782,13 0.215,14 3.513,15 556.6,16 164.211,17 13,18 1.013,19 3.522,20 3.259,21 94.359,22 1.293,23 5.477,24 12,25 1,26 0.626,27 7,28 11,29 1.98,30 6.434,31 3.558,32 30,33 0.248,34 4.946,35 4.672,36 2.767,37 3.693,38 1.248,39 388.446,40 2.268,41 9.957,42 4.418,43 22.574,44 4.375,45 28.72,46 4.387,47 4.459,48 109.017,49 0.601,50 4.435,51 0.5,52 3.547,53 13.626,54 48.8,55 1.735,56 0.187,57 0.13,58 0.565,59 1.119,60 1,61 6.613,62 9,63 0.24,64 0.655,65 4,66 4,67 1.837,68 2.015,69 2.015,70 3,72 0.5,73 0.33,75 0.548,76 4.92,77 4.298,78 0.63,79 1.457,80 1,81 7.131,82 0.897,84 6.682,85 0.5,86 3.742,87 4.007,88 54,89 2.239,90 2.239,91 17.292,92 7,93 1.721,94 1.773,95 1.773,96 1.716,97 138.998,98 207.946,99 22,100 6.476,101 170.023,102 2.748,104 2,105 248.991,106 3.512,107 41.045,108 0.897,109 4.271,110 25.722,111 3.225,112 1.77,113 7.216,114 1.842,115 6.234,116 6.234,117 230.865,118 2.619,119 1,120 248.991,121 1.705,122 16,123 4.448,124 9,125 17.69,126 14.029,127 1,128 1.389,129 41.045,130 -2.2,131 4.084,132 4.084,133 1.131,134 1.347,136 2.011,137 7.745}
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{0 CHEMBL591839,1 6,2 0.252,3 1.065,4 5,5 9.676,6 435.531,7 435.531,8 435.531,9 435.531,10 435.531,11 435.531,12 4.743,13 0.227,14 3.51,15 564.96,16 173.923,17 10,18 0.891,19 3.515,20 3.191,21 97.875,22 1.291,23 5.745,24 14,25 1,26 0.629,27 7,28 12,29 1.977,30 6.462,31 3.533,32 30,33 0.254,34 4.769,35 3.496,36 2.742,37 3.686,38 1.105,39 388.446,40 2.284,41 10.294,42 4.422,43 23.065,44 4.396,45 28.838,46 4.398,47 4.441,48 66.334,49 0.607,50 4.426,51 0.5,52 3.593,53 14.253,54 47.6,55 1.772,56 0.186,57 0.588,58 0.569,59 1.128,60 1,61 6.628,62 7,63 0.246,64 0.655,65 3,66 4,67 1.828,68 2.182,69 2.182,70 3,72 0.5,73 0.33,75 0.55,76 4.984,77 4.346,78 0.63,79 1.51,80 1,81 7.29,82 0.907,83 0.13,84 6.865,85 0.5,86 3.727,87 4.043,88 56,89 2.27,90 2.27,91 18.253,92 7,93 1.718,94 1.781,95 1.781,96 1.782,97 155.426,98 190.408,99 24,100 6.579,101 180.612,102 2.745,104 2,105 234.577,106 3.412,107 44.169,108 0.952,109 4.424,110 28.028,111 3.251,112 1.772,113 7.273,114 1.847,115 6.498,116 6.498,117 242.384,118 2.62,119 1,120 234.577,121 1.784,122 14,123 4.425,124 13,125 16.946,126 13.389,127 1,128 1.435,129 44.169,130 -2.22,131 4.388,132 4.388,133 1.001,134 1.306,136 2.015,137 8.26}
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{0 CHEMBL592407,1 9,2 0.28,3 1.29,4 7,5 13.56,6 612.097,7 612.097,8 612.097,9 612.097,10 612.097,11 612.097,12 5.186,13 0.198,14 3.579,15 702,16 205.974,17 14,18 1.136,19 3.587,20 3.479,21 110.648,22 1.306,23 6.245,24 24,25 1,26 0.622,27 7,28 10,29 1.999,30 6.937,31 3.664,32 38,33 0.229,34 5.21,35 6.544,36 3.281,37 3.759,38 1.176,39 411.989,40 2.938,41 14.13,42 4.654,43 28.234,44 4.665,45 35.482,46 4.664,47 4.712,48 66.334,49 0.59,50 4.734,51 0.5,52 3.69,53 17.265,54 50.9,55 1.721,56 0.168,57 0.588,58 0.512,59 1.18,60 2,61 6.844,62 7,63 0.223,64 0.86,65 3,66 7,67 1.949,68 2.419,69 2.419,70 3,72 0.5,73 0.33,75 0.499,76 5.002,77 4.562,78 0.63,79 1.71,80 1,81 6.821,82 0.916,83 0.286,84 8.346,85 0.5,86 3.781,87 4.205,88 66,89 2.607,90 2.607,91 22.674,92 7,93 2.102,94 2.176,95 2.176,96 1.882,97 186.581,98 158.724,99 26,100 6.783,101 226.572,102 3.15,104 2,105 220.904,106 3.566,107 62.18,108 2.99,109 5.173,110 41.553,111 3.597,112 1.879,113 7.504,114 1.926,115 8.285,116 8.285,117 296.378,118 2.868,119 1,120 220.904,121 1.877,122 16,123 4.61,124 18,125 20.048,126 15.885,127 1,128 1.652,129 62.18,130 -2.86,131 6.241,132 6.241,133 1.06,134 1.376,136 2.447,137 8.036}
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{0 CHEMBL599202,2 0.228,3 0.791,5 6.052,6 270.735,7 270.735,8 270.735,9 270.735,10 270.735,11 270.735,12 4.118,13 0.258,14 3.257,15 368.38,16 66.678,17 6,18 0.825,19 3.258,20 2.941,21 52.834,22 1.131,23 3.937,24 5,25 1,26 0.65,27 8,28 4,29 1.867,30 5.415,31 3.328,32 21,33 0.281,34 4.444,35 1.863,36 2.328,37 3.473,38 1.124,39 235.422,40 1.241,41 6.524,42 3.855,43 15.864,44 3.982,45 20.572,46 3.931,47 3.914,48 75.81,49 0.627,50 3.969,51 1,52 2.844,53 10.124,54 45.3,55 1.843,56 0.22,58 0.594,59 1.047,61 6.089,63 0.268,64 0.13,65 3,66 5,67 1.648,68 1.506,69 1.506,70 2,71 1,72 1,73 1,75 0.567,76 4.28,77 3.949,78 1,79 1.153,80 1,81 7.481,82 0.95,84 4.523,85 1,86 3.583,87 3.714,88 40,89 1.74,90 1.74,91 12.058,92 8,93 1.046,94 1.072,95 1.072,96 1.429,97 124.627,98 86.435,99 20,100 6.075,101 123.859,102 2.057,103 1,104 2,105 127.48,106 3.237,107 41.045,108 1.014,109 3.516,110 16.542,111 2.702,112 1.513,113 6.907,114 1.681,115 4.317,116 4.317,117 163.121,118 2.615,119 1,120 127.48,121 1.402,122 6,123 4.385,124 6,125 10.147,126 7.336,127 0.5,128 1.078,129 41.045,130 -2.25,131 2.607,132 2.607,133 0.969,134 1.274,135 1,136 1.438,137 5.793}
{0 CHEMBL599214,1 4,2 0.262,3 1.125,4 3,5 9.865,6 435.531,7 435.531,8 435.531,9 435.531,10 435.531,11 435.531,12 4.643,13 0.21,14 3.547,15 525.57,16 157.661,17 8,18 1.113,19 3.548,20 3.214,21 83.311,22 1.241,23 5.701,24 16,26 0.641,27 8,28 7,29 1.95,30 6.504,31 3.63,32 28,33 0.259,34 4.785,35 1.292,36 2.8,37 3.716,38 1.227,39 282.506,40 2.179,41 12.554,42 4.355,43 20.944,44 4.384,45 25.83,46 4.384,47 4.425,48 81.617,49 0.604,50 4.464,51 0.67,52 3.541,53 12.801,54 49.4,55 1.847,56 0.197,58 0.553,59 1.133,60 1,61 6.618,62 3,63 0.25,64 0.286,65 3,66 9,67 1.872,68 2.089,69 2.089,70 3,71 1,72 0.75,73 0.67,75 0.534,76 4.633,77 4.369,78 0.63,79 1.59,80 1,81 7.257,82 0.924,84 6.578,85 0.5,86 3.752,87 3.97,88 52,89 2.274,90 2.274,91 19.038,92 8,93 1.555,94 1.671,95 1.671,96 1.804,97 153.337,98 130.748,99 19,100 6.55,101 178.501,102 2.606,103 0.5,104 2,105 170.187,106 3.189,107 39.439,108 2.753,109 4.528,110 24.017,111 3.253,112 1.837,113 7.263,114 1.858,115 6.497,116 6.497,117 259.416,118 2.92,119 1,120 170.187,121 1.777,122 12,123 4.464,124 13,125 13.517,126 10.656,127 1,128 1.523,129 39.439,130 -2.8,131 4.624,132 4.624,133 1.089,134 1.362,136 1.978,137 5.445}
{0 CHEMBL59922,2 0.227,3 0.837,5 6.046,6 270.735,7 270.735,8 270.735,9 270.735,10 270.735,11 270.735,12 4.191,13 0.261,14 3.023,15 351.75,16 46.376,17 5,18 0.675,19 3.021,20 2.956,21 42.414,22 1.162,23 2.739,24 7,26 0.66,27 6,28 5,29 1.909,30 5.593,31 3.068,32 22,33 0.261,34 4.138,35 3.032,36 2.194,37 3.249,38 0.935,39 270.735,40 1.289,41 6.714,42 3.949,43 16.134,44 4.036,45 20.978,46 4.006,47 4.038,48 66.334,49 0.635,50 4.056,51 1,52 3.079,53 10.636,54 45.1,55 1.851,56 0.218,58 0.613,59 1.007,61 5.838,62 3,63 0.249,66 5,67 1.573,68 1.601,69 1.601,71 1,72 1,73 1,75 0.584,76 4.633,77 3.966,78 1,79 1.191,81 7.48,82 0.972,84 4.395,85 1,86 3.478,87 3.689,88 39,89 1.806,90 1.806,91 11.921,92 6,93 1.327,94 1.355,95 1.355,96 1.454,97 139.266,98 69.144,99 20,100 5.982,101 131.902,102 2.344,103 1,105 72.269,106 2.91,107 3.124,108 4.524,109 3.635,110 23.086,111 2.719,112 1.513,113 6.993,114 1.533,115 4.664,116 4.664,117 166.136,118 2.597,120 72.269,121 1.422,122 5,124 4,125 8.352,126 5.667,127 0.5,128 1.119,129 3.124,130 -3.2,131 3.058,132 3.058,133 0.857,134 1.218,135 1,136 1.549,137 4.357}
{0 CHEMBL599397,1 6,2 0.264,3 1.063,4 5,5 9.676,6 411.989,7 411.989,8 411.989,9 411.989,10 411.989,11 411.989,12 4.728,13 0.22,14 3.51,15 541.51,16 154.365,17 12,18 0.991,19 3.515,20 3.189,21 90.645,22 1.291,23 5.385,24 10,25 1,26 0.627,27 7,28 10,29 1.977,30 6.419,31 3.533,32 29,33 0.252,34 5.065,35 4.282,36 2.678,37 3.684,38 1.235,39 364.904,40 2.23,41 9.669,42 4.393,43 22.033,44 4.351,45 28.027,46 4.363,47 4.431,48 66.334,49 0.601,50 4.405,51 0.5,52 3.547,53 13.376,54 48.8,55 1.743,56 0.189,57 0.13,58 0.576,59 1.106,60 1,61 6.589,62 7,63 0.244,64 0.655,65 4,66 4,67 1.846,68 2.014,69 2.014,70 3,72 0.5,73 0.33,75 0.559,76 4.942,77 4.278,78 0.63,79 1.484,80 1,81 7.122,82 0.915,84 6.51,85 0.5,86 3.724,87 3.989,88 53,89 2.239,90 2.239,91 16.938,92 7,93 1.715,94 1.763,95 1.763,96 1.75,97 138.569,98 165.263,99 22,100 6.461,101 167.298,102 2.738,104 2,105 239.205,106 3.412,107 73.942,108 0.569,109 4.27,110 25.851,111 3.225,112 1.747,113 7.201,114 1.85,115 6.234,116 6.234,117 226.119,118 2.619,119 1,120 239.205,121 1.745,122 15,123 4.475,124 9,125 16.922,126 13.34,127 1,128 1.409,129 73.942,130 -2.03,131 4.072,132 4.072,133 1.123,134 1.306,136 1.999,137 8.056}
{0 CHEMBL599399,1 6,2 0.259,3 0.971,4 5,5 8.257,6 353.133,7 353.133,8 353.133,9 353.133,10 353.133,11 353.133,12 4.52,13 0.224,14 3.513,15 474.76,16 107.06,17 10,18 0.893,19 3.523,20 3.13,21 64.774,22 1.201,23 4.899,24 9,25 1,26 0.644,27 8,28 10,29 1.892,30 6.26,31 3.596,32 27,33 0.26,34 4.811,35 4.545,36 2.523,37 3.689,38 1.246,39 306.049,40 1.898,41 9.391,42 4.228,43 20.319,44 4.244,45 26.641,46 4.229,47 4.264,48 75.81,49 0.62,50 4.268,51 0.67,52 3.541,53 12.454,54 46.4,55 1.792,56 0.194,57 0.068,58 0.587,59 1.043,60 1,61 6.445,62 5,63 0.25,64 0.588,65 3,66 6,67 1.821,68 2.048,69 2.048,70 3,71 1,72 0.75,73 0.67,75 0.564,76 4.688,77 4.177,78 0.63,79 1.305,80 1,81 7.371,82 0.934,84 6.058,85 0.5,86 3.767,87 3.932,88 50,89 2.258,90 2.258,91 15.915,92 8,93 1.478,94 1.587,95 1.587,96 1.553,97 127.279,98 154.263,99 19,100 6.358,101 162.816,102 2.517,103 0.5,104 2,105 195.308,106 3.388,107 41.045,108 2.351,109 4.258,110 20.647,111 3.246,112 1.513,113 7.179,114 1.784,115 6.348,116 6.348,117 211.882,118 2.658,119 1,120 195.308,121 1.596,122 11,123 4.42,124 11,125 12.911,126 9.398,127 1,128 1.277,129 41.045,130 -2.69,131 4.002,132 4.002,133 1.131,134 1.294,136 1.961,137 7.824}
{0 CHEMBL599400,1 4,2 0.255,3 1.012,4 3,5 8.635,6 376.675,7 376.675,8 376.675,9 376.675,10 376.675,11 376.675,12 4.576,13 0.224,14 3.51,15 487.12,16 127.597,17 8,18 0.893,19 3.517,20 3.074,21 76.98,22 1.287,23 5.148,24 9,25 1,26 0.636,27 8,28 10,29 1.978,30 6.253,31 3.554,32 27,33 0.256,34 4.811,35 1.903,36 2.564,37 3.683,38 1.206,39 329.591,40 1.902,41 9.342,42 4.237,43 19.819,44 4.272,45 25.255,46 4.25,47 4.277,48 75.81,49 0.61,50 4.304,51 0.67,52 3.541,53 12.215,54 47.9,55 1.799,56 0.199,57 0.068,58 0.583,59 1.09,60 1,61 6.465,62 7,63 0.247,64 0.588,65 3,66 6,67 1.845,68 2.043,69 2.043,70 3,71 1,72 0.75,73 0.67,75 0.562,76 4.776,77 4.19,78 0.63,79 1.316,80 1,81 7.192,82 0.912,84 5.912,85 0.5,86 3.732,87 3.912,88 49,89 2.215,90 2.215,91 15.865,92 8,93 1.467,94 1.545,95 1.545,96 1.58,97 139.86,98 154.263,99 19,100 6.395,101 156.836,102 2.493,103 0.5,104 2,105 195.308,106 3.388,107 41.045,108 2.351,109 4.236,110 20.647,111 3.21,112 1.582,113 7.13,114 1.831,115 5.19,116 5.19,117 205.882,118 2.617,119 1,120 195.308,121 1.618,122 11,123 4.416,124 11,125 13.989,126 10.758,127 1,128 1.288,129 41.045,130 -2.69,131 3.924,132 3.924,133 1.077,134 1.298,136 1.95,137 7.481}
{0 CHEMBL59941,2 0.271,3 0.973,5 7.336,6 341.362,7 341.362,8 341.362,9 341.362,10 341.362,11 341.362,12 4.314,13 0.215,14 3.202,15 366.48,16 46.393,17 10,18 0.825,19 3.201,20 2.941,21 42.574,22 1.217,23 2.739,24 4,26 0.627,27 2,28 4,29 1.911,30 5.583,31 3.249,32 21,33 0.26,34 4.138,35 8.653,36 2.761,37 3.395,38 0.996,39 341.362,40 1.247,41 7.607,42 3.937,43 16.402,44 4.104,45 20.978,46 4.055,47 4.055,48 28.429,49 0.592,50 4.171,51 1,52 2.947,53 10.459,54 50.9,55 1.711,56 0.218,58 0.527,59 1.16,61 5.875,62 3,63 0.252,64 0.643,66 1,67 1.598,68 1.801,69 1.801,71 1,72 1,73 1,75 0.51,76 4.213,77 3.991,78 1,79 1.185,81 6.799,82 0.962,84 4.412,85 1,86 3.515,87 3.611,88 36,89 1.918,90 1.918,91 12.188,92 2,93 1.081,94 1.201,95 1.201,96 1.447,97 100.973,98 58.145,99 26,100 5.989,101 130.912,102 2.11,103 1,105 67.518,106 3.071,107 9.373,108 1.256,109 3.58,110 26.862,111 2.853,112 1.513,113 6.982,114 1.577,115 5.666,116 5.666,117 167.088,118 2.415,120 67.518,121 1.409,122 5,124 4,125 8.825,126 6.211,127 1,128 1.116,129 9.373,130 -2.34,131 2.733,132 2.733,133 0.857,134 1.318,135 1,136 1.463,137 6.071}
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{0 CHEMBL601276,1 7,2 0.277,3 1.144,4 6,5 10.893,6 470.844,7 470.844,8 470.844,9 470.844,10 470.844,11 470.844,12 4.88,13 0.207,14 3.566,15 581.05,16 150.51,17 14,18 1.158,19 3.554,20 3.192,21 84.868,22 1.291,23 5.292,24 10,25 1,26 0.628,27 7,28 12,29 1.977,30 6.627,31 3.589,32 32,33 0.243,34 4.988,35 6.118,36 2.892,37 3.703,38 1.245,39 388.446,40 2.545,41 11.337,42 4.509,43 23.919,44 4.487,45 30.917,46 4.492,47 4.566,48 109.017,49 0.599,50 4.558,51 0.5,52 3.548,53 15.174,54 49.4,55 1.741,56 0.18,57 0.13,58 0.551,59 1.112,60 1,61 6.635,62 7,63 0.235,64 0.655,65 3,66 4,67 1.891,68 2.233,69 2.233,70 3,72 0.5,73 0.33,75 0.534,76 4.979,77 4.38,78 0.63,79 1.652,80 1,81 7.009,82 0.913,84 7.136,85 0.5,86 3.757,87 4.06,88 57,89 2.284,90 2.284,91 18.538,92 7,93 1.766,94 1.811,95 1.811,96 1.848,97 136.13,98 196.946,99 24,100 6.572,101 190.791,102 2.787,104 2,105 241.116,106 3.497,107 44.169,108 1.756,109 4.548,110 31.404,111 3.262,112 1.854,113 7.328,114 1.861,115 6.674,116 6.674,117 247.736,118 2.666,119 1,120 241.116,121 1.83,122 14,123 4.612,124 9,125 16.759,126 12.833,127 1,128 1.598,129 44.169,130 -2.52,131 4.644,132 4.644,133 1.098,134 1.306,136 2.023,137 7.678}
{0 CHEMBL601447,1 6,2 0.275,3 1.223,4 5,5 12.696,6 576.784,7 576.784,8 576.784,9 576.784,10 576.784,11 576.784,12 5.096,13 0.208,14 3.56,15 669.61,16 184.05,17 16,18 1.127,19 3.555,20 3.42,21 104.185,22 1.298,23 5.916,24 12,25 1,26 0.623,27 7,28 10,29 1.98,30 6.838,31 3.617,32 36,33 0.235,34 5.044,35 7.173,36 3.336,37 3.717,38 1.195,39 459.073,40 3.119,41 12.483,42 4.695,43 27.06,44 4.632,45 34.501,46 4.673,47 4.769,48 66.334,49 0.592,50 4.737,51 0.5,52 3.593,53 17.368,54 50.5,55 1.726,56 0.17,57 0.655,58 0.499,59 1.174,60 1,61 6.824,62 7,63 0.228,64 0.8,65 3,66 4,67 1.903,68 2.257,69 2.257,70 3,72 0.5,73 0.33,75 0.485,76 4.664,77 4.506,78 0.63,79 1.652,80 1,81 6.871,82 0.921,83 0.343,84 8.002,85 0.5,86 3.772,87 4.174,88 64,89 2.579,90 2.579,91 20.801,92 7,93 1.91,94 2.024,95 2.024,96 1.874,97 163.945,98 179.408,99 30,100 6.745,101 215.45,102 2.977,104 2,105 229.826,106 3.611,107 50.418,108 1.896,109 4.638,110 39.206,111 3.551,112 1.879,113 7.458,114 1.898,115 8.204,116 8.204,117 281.507,118 2.771,119 1,120 229.826,121 1.865,122 15,123 4.663,124 13,125 19.732,126 15.482,127 1,128 1.595,129 50.418,130 -2.56,131 5.084,132 5.084,133 1.037,134 1.306,136 2.201,137 7.921}
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{0 CHEMBL601488,1 6,2 0.273,3 1.125,4 5,5 11.062,6 482.615,7 482.615,8 482.615,9 482.615,10 482.615,11 482.615,12 4.9,13 0.211,14 3.563,15 583.26,16 142.094,17 13,18 1.126,19 3.552,20 3.193,21 84.868,22 1.306,23 5.385,24 10,25 1,26 0.628,27 7,28 11,29 1.998,30 6.617,31 3.587,32 32,33 0.241,34 4.834,35 6.554,36 2.917,37 3.702,38 1.192,39 435.531,40 2.534,41 11.383,42 4.499,43 24.01,44 4.465,45 30.917,46 4.479,47 4.56,48 84.344,49 0.596,50 4.549,51 0.5,52 3.549,53 14.984,54 50,55 1.729,56 0.18,57 0.4,58 0.548,59 1.128,60 1,61 6.615,62 7,63 0.234,64 0.655,65 3,66 4,67 1.883,68 2.193,69 2.193,70 3,72 0.5,73 0.33,75 0.532,76 4.991,77 4.35,78 0.63,79 1.636,80 1,81 6.918,82 0.927,83 0.068,84 7.067,85 0.5,86 3.757,87 4.06,88 57,89 2.269,90 2.269,91 18.576,92 7,93 1.747,94 1.797,95 1.797,96 1.805,97 144.098,98 154.263,99 27,100 6.524,101 189.005,102 2.769,104 2,105 216.443,106 3.506,107 62.18,108 1.756,109 4.511,110 35.069,111 3.252,112 1.801,113 7.375,114 1.887,115 6.668,116 6.668,117 247.352,118 2.719,119 1,120 216.443,121 1.803,122 15,123 4.635,124 9,125 16.759,126 12.833,127 1,128 1.587,129 62.18,130 -2.52,131 4.553,132 4.553,133 1.064,134 1.425,136 2.014,137 8.149}
{0 CHEMBL601489,1 6,2 0.262,3 1.091,4 5,5 10.049,6 423.76,7 423.76,8 423.76,9 423.76,10 423.76,11 423.76,12 4.781,13 0.219,14 3.561,15 572.11,16 155.534,17 12,18 1.121,19 3.552,20 3.191,21 84.87,22 1.306,23 5.477,24 11,25 1,26 0.633,27 7,28 13,29 1.992,30 6.559,31 3.594,32 31,33 0.252,34 4.834,35 4.497,36 2.724,37 3.702,38 1.226,39 376.675,40 2.422,41 11.058,42 4.466,43 23.89,44 4.447,45 30.63,46 4.45,47 4.513,48 66.334,49 0.608,50 4.504,51 0.5,52 3.593,53 15.169,54 47.6,55 1.765,56 0.181,57 0.588,58 0.574,59 1.076,60 1,61 6.606,62 7,63 0.244,64 0.8,65 3,66 4,67 1.881,68 2.25,69 2.25,70 4,72 0.5,73 0.33,75 0.555,76 4.985,77 4.366,78 0.63,79 1.629,80 1,81 7.247,82 0.929,83 0.068,84 7.192,85 0.5,86 3.756,87 4.078,88 58,89 2.374,90 2.374,91 18.926,92 7,93 1.792,94 1.828,95 1.828,96 1.787,97 138.3,98 179.408,99 22,100 6.561,101 193.166,102 2.811,104 2,105 256.474,106 3.517,107 77.066,108 0.578,109 4.589,110 31.217,111 3.359,112 1.774,113 7.393,114 1.885,115 7.418,116 7.418,117 251.538,118 2.816,119 1,120 256.474,121 1.791,122 14,123 4.554,124 11,125 15.982,126 12.123,127 1,128 1.584,129 77.066,130 -2.04,131 4.713,132 4.713,133 1.101,134 1.367,136 2.158,137 9.194}
{0 CHEMBL601692,1 10,2 0.295,3 1.247,4 9,5 13.313,6 588.555,7 588.555,8 588.555,9 588.555,10 588.555,11 588.555,12 5.15,13 0.191,14 3.578,15 657.4,16 145.588,17 19,18 1.199,19 3.572,20 3.506,21 87.295,22 1.306,23 5.339,24 11,25 1,26 0.626,27 7,28 12,29 1.998,30 6.854,31 3.633,32 37,33 0.226,34 5.207,35 14.053,36 3.366,37 3.742,38 1.245,39 435.531,40 3.117,41 13.492,42 4.677,43 27.114,44 4.642,45 35.482,46 4.647,47 4.764,48 66.334,49 0.589,50 4.746,51 0.5,52 3.548,53 17.048,54 51.5,55 1.709,56 0.168,57 0.588,58 0.495,59 1.151,60 1,61 6.718,62 7,63 0.22,64 0.8,65 3,66 10,67 1.885,68 2.26,69 2.26,70 3,72 0.5,73 0.5,75 0.481,76 4.755,77 4.496,78 0.5,79 1.647,80 1,81 6.702,82 0.936,83 0.068,84 7.932,85 0.5,86 3.8,87 4.159,88 63,89 2.562,90 2.562,91 20.857,92 7,93 1.926,94 2.029,95 2.029,96 1.827,97 150.051,98 154.263,99 28,100 6.628,101 213.679,102 2.988,103 0.5,104 2,105 201.556,106 3.597,107 47.294,108 4.978,109 4.635,110 38.423,111 3.512,112 1.86,113 7.447,114 1.89,115 7.659,116 7.659,117 276.378,118 2.654,119 1,120 201.556,121 1.823,122 15,123 4.723,124 10,125 18.701,126 14.148,127 1,128 1.595,129 47.294,130 -3.29,131 5.083,132 5.083,133 1.103,134 1.462,136 2.189,137 8.959}
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{0 CHEMBL601704,1 5,2 0.258,3 1.091,4 4,5 10.166,6 459.073,7 459.073,8 459.073,9 459.073,10 459.073,11 459.073,12 4.797,13 0.224,14 3.496,15 558.81,16 155.685,17 11,18 1.07,19 3.486,20 3.176,21 94.107,22 1.238,23 5.568,24 12,25 1,26 0.625,27 7,28 10,29 1.956,30 6.522,31 3.501,32 30,33 0.248,34 4.851,35 3.781,36 2.8,37 3.66,38 1.147,39 411.989,40 2.438,41 10.115,42 4.467,43 22.61,44 4.406,45 28.433,46 4.438,47 4.515,48 66.334,49 0.598,50 4.497,51 0.5,52 3.547,53 13.916,54 49.4,55 1.748,56 0.188,57 0.588,58 0.561,59 1.153,60 1,61 6.621,62 5,63 0.24,64 0.8,65 3,66 4,67 1.873,68 2.036,69 2.036,70 3,72 0.5,73 0.33,75 0.544,76 5.057,77 4.303,78 0.63,79 1.517,80 1,81 7.033,82 0.908,83 0.068,84 6.609,85 0.5,86 3.721,87 4.007,88 54,89 2.255,90 2.255,91 17.456,92 7,93 1.62,94 1.716,95 1.716,96 1.751,97 152.827,98 165.263,99 28,100 6.507,101 174.625,102 2.662,104 2,105 209.432,106 3.394,107 44.169,108 0.897,109 4.268,110 30.211,111 3.244,112 1.744,113 7.242,114 1.868,115 6.333,116 6.333,117 232.178,118 2.623,119 1,120 209.432,121 1.756,122 15,123 4.577,124 11,125 17.05,126 13.522,127 1,128 1.459,129 44.169,130 -2.2,131 4.051,132 4.051,133 0.981,134 1.294,136 2.014,137 8.398}
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{0 CHEMBL62939,1 1,2 0.282,3 1.015,4 1,5 7.852,6 364.904,7 364.904,8 364.904,9 364.904,10 364.904,11 364.904,12 4.407,13 0.206,14 3.239,15 383.78,16 49.735,17 11,18 0.875,19 3.234,20 2.941,21 44.748,22 1.241,23 2.915,24 4,26 0.625,27 2,28 6,29 1.917,30 5.699,31 3.271,32 22,33 0.254,34 4.375,35 9.423,36 2.829,37 3.442,38 1.018,39 364.904,40 1.425,41 7.814,42 4.045,43 16.847,44 4.147,45 21.671,46 4.124,47 4.154,48 28.429,49 0.588,50 4.232,51 1,52 2.948,53 10.667,54 51.7,55 1.693,56 0.215,58 0.521,59 1.173,61 5.961,62 5,63 0.246,64 0.643,66 2,67 1.707,68 1.802,69 1.802,71 1,72 1,73 1,75 0.506,76 4.335,77 4.015,78 1,79 1.304,81 6.693,82 0.959,84 4.559,85 1,86 3.528,87 3.638,88 37,89 1.93,90 1.93,91 12.401,92 2,93 1.102,94 1.235,95 1.235,96 1.506,97 103.508,98 58.145,99 26,100 6.03,101 133.918,102 2.135,103 1,105 67.518,106 3.069,107 9.373,108 1.795,109 3.62,110 28.074,111 2.863,112 1.516,113 7.006,114 1.697,115 5.67,116 5.67,117 171.088,118 2.422,120 67.518,121 1.5,122 6,124 5,125 9.476,126 6.753,127 1,128 1.25,129 9.373,130 -2.53,131 2.802,132 2.802,133 0.889,134 1.319,135 1,136 1.468,137 5.398}
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{0 CHEMBL90102,1 2,2 0.218,3 0.745,4 2,5 4.77,6 223.651,7 223.651,8 223.651,9 223.651,10 223.651,11 223.651,12 3.79,13 0.262,14 3.016,15 293.46,16 42.339,17 3,18 0.599,19 3.022,20 2.824,21 39.612,22 1.181,23 3.464,24 6,26 0.649,27 4,28 3,29 1.697,30 5.011,31 3.065,32 17,33 0.302,34 4.22,35 1.355,36 1.921,37 3.221,38 0.831,39 200.109,40 0.923,41 5.614,42 3.616,43 13.401,44 3.818,45 16.819,46 3.746,47 3.709,48 37.905,49 0.631,50 3.794,51 1,52 2.803,53 9.214,54 44.2,55 1.893,56 0.244,58 0.646,59 1.06,61 5.61,63 0.286,64 0.286,66 4,67 1.591,68 1.503,69 1.503,70 1,71 1,72 1,73 1,74 1,75 0.613,76 4.583,77 3.829,78 1,79 1.111,81 7.66,82 0.952,84 3.719,85 1,86 3.361,87 3.541,88 33.5,89 1.9,90 1.9,91 10.374,92 4,93 0.681,94 0.726,95 0.726,96 1.382,97 101.755,98 72.29,99 15,100 5.838,101 114.361,102 1.67,103 1,104 1,105 95.324,106 2.913,107 23.034,108 3.241,109 3.474,110 20.471,111 2.877,112 1.425,113 6.834,114 1.572,115 5.888,116 5.888,117 144.065,118 2.283,120 95.324,121 1.355,122 6,123 4.556,124 4,125 6.753,126 4.693,127 0.5,128 1.021,129 23.034,130 -2.92,131 1.794,132 1.794,133 0.721,134 1.229,135 1,136 1.243,137 4.058}
{0 CHEMBL90120,1 3,2 0.22,3 0.678,4 3,5 3.593,6 141.253,7 141.253,8 141.253,9 141.253,10 141.253,11 141.253,12 3.56,13 0.27,14 2.968,15 248.48,16 29.174,17 4,18 0.358,19 2.982,20 2.715,21 34.291,22 1.214,23 2.915,24 6,26 0.667,27 4,28 1,29 1.612,30 3.407,31 3.077,32 15,33 0.326,34 4.002,35 3.225,36 1.231,37 3.175,38 1.064,39 120.039,40 0.76,41 5.405,42 3.454,43 14.155,44 3.66,45 18.781,46 3.565,47 3.51,48 37.905,49 0.659,50 3.62,51 1,52 2.557,53 8.736,54 38.5,55 2.038,56 0.231,58 0.767,59 0.86,61 5.382,62 2,63 0.303,66 4,67 1.44,68 1.646,69 1.646,71 1,72 1,73 1,75 0.711,76 4.773,77 3.831,78 1,79 1.071,81 8.343,82 0.993,84 3.742,85 0.83,86 3.563,87 3.638,88 37,89 1.759,90 1.759,91 10.556,92 4,93 1.102,94 1.153,95 1.153,96 1.479,97 66.249,98 53.683,99 6,100 5.459,101 111.411,102 2.111,103 1,104 2,105 137.121,106 2.98,107 116.764,108 6.681,109 3.431,110 11.186,111 2.707,112 1.241,113 6.797,114 1.537,115 5.148,116 5.148,117 146.524,118 2.418,120 170.447,121 1.497,122 6,123 19.73,124 8,125 6.513,126 4.07,128 0.929,129 116.764,130 -3.59,131 2.644,132 2.644,133 1.094,134 1.289,135 1,136 0.94,137 4.292}
{0 CHEMBL90168,1 2,2 0.216,3 0.667,4 2,5 3.854,6 153.024,7 153.024,8 153.024,9 153.024,10 153.024,11 153.024,12 3.562,13 0.269,14 2.962,15 250.17,16 33.624,17 3,18 0.496,19 2.968,20 2.68,21 34.817,22 1.186,23 3.317,24 4,26 0.657,27 4,28 1,29 1.671,30 4.119,31 3.013,32 15,33 0.321,34 3.698,35 1.568,36 1.33,37 3.128,38 1.054,39 129.482,40 0.715,41 4.896,42 3.39,43 12.455,44 3.628,45 16.008,46 3.515,47 3.465,48 37.905,49 0.642,50 3.568,51 1,52 2.557,53 7.793,54 42.1,55 1.997,56 0.25,58 0.747,59 0.922,61 5.425,63 0.301,66 4,67 1.44,68 1.412,69 1.412,70 1,71 1,72 1,73 1,75 0.7,76 4.754,77 3.723,78 1,79 0.994,81 7.904,82 0.962,84 3.412,85 1,86 3.392,87 3.512,88 32.5,89 1.756,90 1.756,91 9.565,92 4,93 0.549,94 0.606,95 0.606,96 1.29,97 74.487,98 78.828,99 9,100 5.523,101 99.624,102 1.519,103 1,104 2,105 130.41,106 2.924,107 68.367,108 1.71,109 3.129,110 12.438,111 2.7,112 1.319,113 6.691,114 1.554,115 5.148,116 5.148,117 129.742,118 2.361,120 147.195,121 1.276,122 5,123 8.333,124 2,125 6.299,126 4.225,127 0.5,128 0.928,129 68.367,130 -2.5,131 1.277,132 1.277,133 1,134 1.232,135 1,136 0.981,137 4.145}
{0 CHEMBL90195,2 0.199,3 0.571,5 2.516,6 94.169,7 94.169,8 94.169,9 94.169,10 94.169,11 94.169,12 3.124,13 0.287,14 2.797,15 189.91,16 21.796,17 2,18 0.154,19 2.822,20 2.259,21 25.823,22 0.946,23 2.449,26 0.67,27 4,28 1,29 1.571,30 3.274,31 2.921,32 12,33 0.357,34 3.35,35 0.229,36 1.103,37 2.994,38 1.061,39 94.169,40 0.506,41 3.843,42 3.13,43 10.605,44 3.399,45 13.523,46 3.267,47 3.167,48 80.588,49 0.666,50 3.305,51 1,52 2.08,53 6.502,54 37.9,55 2.069,56 0.272,58 0.773,59 0.812,61 5.12,63 0.329,65 1,67 1.137,68 1.153,69 1.153,71 1,72 1,73 1,75 0.713,76 4.306,77 3.554,78 1,79 0.714,81 8.457,82 0.945,84 2.825,85 1,86 3.111,87 3.35,88 27.5,89 1.412,90 1.412,91 7.91,92 4,93 0.147,94 0.166,95 0.166,96 0.989,97 56.317,98 96.367,99 8,100 5.159,101 85.569,102 1.055,103 1,104 2,105 129.938,106 2.558,107 50.357,108 0.901,109 2.737,110 7.232,111 2.33,112 0.97,113 6.544,114 1.133,115 3.211,116 3.211,117 109.58,118 2.071,120 146.723,121 1.011,122 3,123 8.249,125 4.439,126 2.777,128 0.684,129 50.357,130 -2.2,131 0.326,132 0.326,133 0.974,134 1.22,135 1,136 -0.089,137 7.699}
{0 CHEMBL90237,1 9,2 0.28,3 0.937,4 8,5 7.255,6 306.049,7 306.049,8 306.049,9 306.049,10 306.049,11 306.049,12 4.306,13 0.206,14 3.241,15 358.91,16 51.185,17 9,18 0.825,19 3.253,20 2.944,21 45.283,22 1.286,23 3.808,24 8,26 0.641,27 4,28 2,29 1.949,30 5.383,31 3.328,32 22,33 0.262,34 4.444,35 8.9,36 2.417,37 3.462,38 1.168,39 235.422,40 1.286,41 7.873,42 3.9,43 16.557,44 4.075,45 21.671,46 4.002,47 4.027,48 37.905,49 0.606,50 4.12,51 1,52 2.697,53 10.599,54 49.1,55 1.881,56 0.215,58 0.586,59 1.053,60 1,61 5.875,62 8,63 0.25,66 8,67 1.594,68 1.758,69 1.758,70 1,71 1,72 1,73 1,75 0.56,76 4.485,77 4.005,78 1,79 1.334,81 6.957,82 0.959,84 4.603,85 1,86 3.69,87 3.726,88 40.5,89 1.842,90 1.842,91 12.64,92 4,93 1.398,94 1.414,95 1.414,96 1.565,97 89.695,98 78.828,99 10,100 5.942,101 133.562,102 2.407,103 1,104 2,105 115.524,106 3.22,107 53.481,108 8.64,109 3.903,110 16.227,111 2.762,112 1.513,113 6.984,114 1.65,115 5.223,116 5.223,117 168.769,118 2.569,119 1,120 132.309,121 1.582,122 7,123 8.452,124 8,125 9.102,126 6.314,127 0.5,128 1.275,129 53.481,130 -3.89,131 3.211,132 3.211,133 1.105,134 1.485,135 1,136 1.268,137 8.097}
{0 CHEMBL90414,1 5,2 0.258,3 0.814,4 5,5 5.637,6 235.422,7 235.422,8 235.422,9 235.422,10 235.422,11 235.422,12 3.991,13 0.23,14 3.012,15 307.01,16 41.156,17 8,18 0.687,19 3.043,20 2.941,21 38.472,22 1.23,23 3.24,24 7,26 0.651,27 4,28 1,29 1.877,30 5.142,31 3.168,32 19,33 0.285,34 4.133,35 7.004,36 1.958,37 3.262,38 1.157,39 164.795,40 0.984,41 6.664,42 3.66,43 15.116,44 3.909,45 19.879,46 3.791,47 3.758,48 37.905,49 0.624,50 3.879,51 1,52 2.558,53 9.513,54 45.8,55 1.928,56 0.224,58 0.649,59 0.992,61 5.691,62 2,63 0.27,66 7,67 1.513,68 1.754,69 1.754,70 1,71 1,72 1,73 1,75 0.615,76 4.585,77 3.912,78 1,79 1.153,81 7.384,82 0.979,84 4.157,85 1,86 3.609,87 3.651,88 37.5,89 1.833,90 1.833,91 11.427,92 4,93 1.105,94 1.157,95 1.157,96 1.429,97 77.906,98 78.828,99 10,100 5.78,101 121.558,102 2.115,103 1,104 2,105 115.524,106 3.075,107 53.481,108 5.153,109 3.619,110 16.227,111 2.76,112 1.441,113 6.891,114 1.567,115 5.148,116 5.148,117 154.769,118 2.569,119 1,120 132.309,121 1.421,122 5,123 8.414,124 3,125 7.603,126 5.046,127 0.5,128 1.097,129 53.481,130 -3.32,131 3.046,132 3.046,133 1.086,134 1.399,135 1,136 1.162,137 6.923}
{0 CHEMBL90566,2 0.203,3 0.625,5 3.08,6 129.482,7 129.482,8 129.482,9 129.482,10 129.482,11 129.482,12 3.358,13 0.281,14 2.957,15 230.66,16 29.772,17 2,18 0.358,19 2.963,20 2.332,21 32.391,22 0.944,23 3.162,26 0.666,27 4,28 5,29 1.626,30 4.256,31 3.009,32 14,33 0.34,34 4.107,35 0.183,36 1.225,37 3.106,38 1.044,39 94.169,40 0.582,41 4.365,42 3.305,43 12.155,44 3.526,45 15.315,46 3.426,47 3.316,48 37.905,49 0.663,50 3.447,51 1,52 2.533,53 7.386,54 38.2,55 2.04,56 0.256,58 0.759,59 0.898,61 5.423,63 0.316,67 1.439,68 1.163,69 1.163,70 1,71 1,72 1,73 1,75 0.705,76 4.595,77 3.704,78 1,79 0.921,81 8.45,82 0.953,84 3.274,85 1,86 3.344,87 3.481,88 31.5,89 1.752,90 1.752,91 9.239,92 4,93 0.54,94 0.6,95 0.6,96 1.123,97 76.926,98 89.828,99 8,100 5.396,101 97.479,102 1.518,103 1,104 2,105 123.399,106 2.784,107 50.357,108 2.124,109 3.105,110 10.156,111 2.694,112 1.128,113 6.666,114 1.503,115 5.138,116 5.138,117 128.008,118 2.258,120 140.185,121 1.116,122 5,123 8.253,125 5.676,126 3.73,128 0.873,129 50.357,130 -2.63,131 1.231,132 1.231,133 0.959,134 1.219,135 1,136 0.464,137 4.614}
{0 CHEMBL90601,1 3,2 0.224,3 0.72,4 3,5 4.202,6 176.567,7 176.567,8 176.567,9 176.567,10 176.567,11 176.567,12 3.656,13 0.256,14 2.98,15 265.26,16 39.609,17 4,18 0.543,19 2.983,20 2.678,21 37.206,22 1.228,23 3.391,24 4,26 0.654,27 4,28 1,29 1.747,30 3.656,31 3.049,32 16,33 0.313,34 4.35,35 1.921,36 1.551,37 3.164,38 1.037,39 154.74,40 0.755,41 5.356,42 3.478,43 13.03,44 3.723,45 16.414,46 3.623,47 3.539,48 37.905,49 0.64,50 3.685,51 1,52 2.613,53 8.176,54 42.5,55 2.008,56 0.247,58 0.708,59 0.956,61 5.494,62 2,63 0.294,66 4,67 1.468,68 1.545,69 1.545,70 1,71 1,72 1,73 1,75 0.666,76 4.653,77 3.781,78 1,79 1.003,81 7.884,82 0.927,84 3.601,85 1,86 3.39,87 3.541,88 33.5,89 1.808,90 1.808,91 10.199,92 4,93 0.749,94 0.81,95 0.81,96 1.244,97 73.227,98 121.512,99 9,100 5.661,101 106.828,102 1.748,103 1,104 1,105 155.083,106 2.935,107 35.47,108 3.853,109 3.334,110 12.084,111 2.754,112 1.219,113 6.758,114 1.493,115 5.182,116 5.182,117 136.929,118 2.222,120 156.982,121 1.226,122 6,123 8.415,124 5,125 6.524,126 4.458,127 0.5,128 0.94,129 35.47,130 -3.06,131 1.766,132 1.766,133 0.967,134 1.282,135 1,136 0.736,137 4}
{0 CHEMBL90677,1 1,2 0.2,3 0.67,4 1,5 4.384,6 176.567,7 176.567,8 176.567,9 176.567,10 176.567,11 176.567,12 3.703,13 0.281,14 3.218,15 307.13,16 50.094,17 3,18 0.638,19 3.191,20 2.805,21 40.624,22 1.218,23 3.674,24 6,26 0.7,27 9,28 3,29 1.842,30 5.251,31 3.319,32 19,33 0.322,34 4.385,35 0.704,36 1.786,37 3.389,38 1.093,39 153.024,40 0.955,41 8.214,42 3.663,43 15.967,44 3.912,45 20.167,46 3.799,47 3.734,48 91.332,49 0.677,50 3.867,51 1,52 2.815,53 9.93,54 38.6,55 2.128,56 0.223,58 0.673,59 0.857,61 5.825,63 0.298,66 4,67 1.44,68 1.756,69 1.756,71 1,72 1,73 1,75 0.623,76 4.476,77 4.062,78 1,79 1.26,81 8.715,82 1.006,84 4.633,85 1,86 3.679,87 3.773,88 42.5,89 1.84,90 1.84,91 13.66,92 9,93 1.141,94 1.178,95 1.178,96 1.477,97 108.684,98 97.996,99 13,100 5.876,101 132.745,102 2.152,103 1,104 2,105 131.567,106 3.056,107 50.357,108 6.993,109 3.752,110 11.283,111 2.761,112 1.295,113 6.98,114 1.579,115 5.223,116 5.223,117 198.44,118 2.569,120 148.353,121 1.439,122 6,123 8.343,124 2,125 7.18,126 4.726,128 1.245,129 50.357,130 -3.64,131 3.108,132 3.108,133 1.1,134 1.343,135 1,136 1.156,137 6.409}
{0 CHEMBL90804,1 8,2 0.265,3 0.95,4 7,5 7.155,6 306.049,7 306.049,8 306.049,9 306.049,10 306.049,11 306.049,12 4.304,13 0.22,14 3.31,15 391.15,16 68.476,17 9,18 0.825,19 3.335,20 2.96,21 52.208,22 1.233,23 4.301,24 8,26 0.641,27 4,28 8,29 1.895,30 5.831,31 3.444,32 23,33 0.271,34 4.351,35 6.471,36 2.294,37 3.549,38 1.166,39 235.422,40 1.513,41 8.113,42 4.081,43 18.111,44 4.132,45 23.463,46 4.108,47 4.154,48 37.905,49 0.616,50 4.185,51 0.83,52 2.9,53 11.416,54 46.7,55 1.869,56 0.206,58 0.612,59 1.047,60 1,61 6.226,62 6,63 0.259,66 8,67 1.59,68 1.84,69 1.84,70 2,71 1,72 1,73 1,75 0.585,76 4.765,77 4.103,78 1,79 1.334,81 7.342,82 0.945,84 5.106,85 0.83,86 3.676,87 3.818,88 44.5,89 2.149,90 2.149,91 13.84,92 4,93 1.533,94 1.573,95 1.573,96 1.569,97 98.944,98 114.973,99 12,100 6.079,101 145.67,102 2.551,103 1,104 2,105 151.668,106 3.082,107 53.481,108 5.766,109 4.024,110 18.841,111 3.143,112 1.547,113 7.069,114 1.659,115 5.696,116 5.696,117 188.305,118 2.569,119 1,120 168.454,121 1.598,122 9,123 8.423,124 4,125 10.389,126 7.355,127 0.5,128 1.275,129 53.481,130 -3.43,131 3.47,132 3.47,133 1.075,134 1.487,135 1,136 1.683,137 8.222}
{0 CHEMBL90881,1 3,2 0.234,3 0.768,4 2,5 4.755,6 200.109,7 200.109,8 200.109,9 200.109,10 200.109,11 200.109,12 3.79,13 0.245,14 2.98,15 282.56,16 40.933,17 3,18 0.516,19 3.006,20 2.744,21 39.715,22 1.184,23 3.742,24 6,26 0.649,27 4,28 1,29 1.854,30 4.45,31 3.128,32 17,33 0.302,34 4.168,35 1.353,36 1.677,37 3.219,38 1.123,39 105.94,40 0.857,41 5.762,42 3.532,43 13.701,44 3.726,45 17.107,46 3.635,47 3.6,48 37.905,49 0.631,50 3.686,51 1,52 2.558,53 7.969,54 44.2,55 1.975,56 0.242,58 0.691,59 0.989,60 1,61 5.651,63 0.285,66 6,67 1.44,68 1.754,69 1.754,70 1,71 1,72 1,73 1,75 0.653,76 4.693,77 3.824,78 1,79 1.071,81 7.66,82 0.939,84 3.726,85 1,86 3.546,87 3.57,88 34.5,89 1.836,90 1.836,91 10.787,92 4,93 1.101,94 1.153,95 1.153,96 1.348,97 86.228,98 89.828,99 7,100 5.649,101 108.81,102 2.111,103 1,104 2,105 123.399,106 2.98,107 50.357,108 4.867,109 3.537,110 13.859,111 2.76,112 1.417,113 6.767,114 1.565,115 5.148,116 5.148,117 142.672,118 2.354,120 140.185,121 1.363,122 7,123 8.349,124 3,125 7.158,126 4.975,127 0.5,128 1.035,129 50.357,130 -3.27,131 2.875,132 2.875,133 1.065,134 1.231,135 1,136 1.038,137 6.229}
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{0 CHEMBL91044,1 9,2 0.28,3 0.967,4 8,5 7.771,6 341.362,7 341.362,8 341.362,9 341.362,10 341.362,11 341.362,12 4.4,13 0.205,14 3.243,15 376.21,16 54.993,17 9,18 0.85,19 3.255,20 2.941,21 47.631,22 1.287,23 3.873,24 8,26 0.638,27 4,28 2,29 1.949,30 5.411,31 3.333,32 23,33 0.255,34 4.574,35 8.911,36 2.596,37 3.465,38 1.093,39 272.451,40 1.364,41 8.258,42 3.963,43 17.049,44 4.144,45 22.076,46 4.08,47 4.093,48 37.905,49 0.601,50 4.198,51 1,52 2.697,53 11.345,54 50,55 1.882,56 0.213,58 0.561,59 1.093,60 1,61 5.931,62 8,63 0.245,66 8,67 1.689,68 1.808,69 1.808,70 1,71 1,72 1,73 1,75 0.538,76 4.447,77 4.043,78 1,79 1.352,81 6.843,82 0.951,84 4.749,85 1,86 3.696,87 3.75,88 41.5,89 1.914,90 1.914,91 13.039,92 4,93 1.398,94 1.414,95 1.414,96 1.552,97 98.091,98 78.828,99 13,100 6.054,101 140.816,102 2.407,103 1,104 1,105 115.524,106 3.203,107 38.594,108 9.949,109 3.903,110 17.621,111 2.838,112 1.523,113 7.04,114 1.686,115 5.86,116 5.86,117 175.13,118 2.676,119 1,120 117.423,121 1.571,122 7,123 8.552,124 9,125 9.319,126 6.547,127 0.5,128 1.295,129 38.594,130 -4.07,131 3.498,132 3.498,133 1.017,134 1.485,135 1,136 1.429,137 6.824}
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{0 CHEMBL91340,1 8,2 0.272,3 0.97,4 7,5 7.771,6 353.133,7 353.133,8 353.133,9 353.133,10 353.133,11 353.133,12 4.4,13 0.21,14 3.172,15 387.11,16 57.786,17 8,18 0.825,19 3.183,20 2.954,21 47.561,22 1.231,23 3.808,24 8,26 0.638,27 4,28 4,29 1.894,30 5.447,31 3.274,32 23,33 0.255,34 4.707,35 7.702,36 2.708,37 3.404,38 1.012,39 282.506,40 1.435,41 8.335,42 4.009,43 16.903,44 4.176,45 21.789,46 4.12,47 4.145,48 37.905,49 0.601,50 4.225,51 1,52 2.804,53 11.77,54 50,55 1.825,56 0.214,58 0.542,59 1.119,60 1,61 5.987,62 6,63 0.245,64 0.343,66 8,67 1.674,68 1.901,69 1.901,70 1,71 1,72 1,73 1,74 1,75 0.521,76 4.368,77 4.059,78 1,79 1.352,81 6.843,82 0.963,84 4.776,85 1,86 3.662,87 3.726,88 40.5,89 2.064,90 2.064,91 13.095,92 4,93 1.452,94 1.502,95 1.502,96 1.621,97 109.454,98 61.29,99 16,100 6.134,101 145.823,102 2.471,103 1,104 1,105 87.448,106 3.111,107 26.158,108 7.553,109 3.887,110 24.995,111 2.989,112 1.65,113 7.076,114 1.679,115 6.215,116 6.215,117 177.491,118 2.765,119 1,120 87.448,121 1.597,122 6,123 4.62,124 5,125 8.908,126 6.259,127 1,128 1.271,129 26.158,130 -3.73,131 3.404,132 3.404,133 0.922,134 1.485,135 1,136 1.563,137 4.573}
{0 CHEMBL91356,1 8,2 0.273,3 0.892,4 7,5 6.721,6 282.506,7 282.506,8 282.506,9 282.506,10 282.506,11 282.506,12 4.207,13 0.213,14 3.088,15 341.61,16 48.467,17 8,18 0.825,19 3.11,20 2.941,21 42.935,22 1.242,23 3.464,24 6,26 0.644,27 4,28 2,29 1.892,30 5.052,31 3.226,32 21,33 0.269,34 4.593,35 7.597,36 2.221,37 3.335,38 1.153,39 213.595,40 1.112,41 7.511,42 3.785,43 16.046,44 4.029,45 20.978,46 3.918,47 3.882,48 37.905,49 0.612,50 4.022,51 1,52 2.612,53 10.302,54 48.1,55 1.902,56 0.218,58 0.614,59 1.034,60 1,61 5.822,62 6,63 0.256,66 8,67 1.534,68 1.808,69 1.808,70 1,71 1,72 1,73 1,75 0.586,76 4.523,77 3.98,78 1,79 1.243,81 7.084,82 0.962,84 4.463,85 1,86 3.657,87 3.701,88 39.5,89 1.909,90 1.909,91 12.296,92 4,93 1.28,94 1.341,95 1.341,96 1.495,97 87.16,98 78.828,99 10,100 5.915,101 130.552,102 2.299,103 1,104 1,105 130.41,106 3.098,107 53.481,108 7.402,109 3.641,110 16.994,111 2.833,112 1.513,113 6.965,114 1.574,115 5.514,116 5.514,117 164.769,118 2.567,120 132.309,121 1.493,122 6,123 8.518,124 4,125 8.459,126 5.788,127 0.5,128 1.173,129 53.481,130 -3.7,131 3.128,132 3.128,133 1.085,134 1.476,135 1,136 1.428,137 5.106}
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